| 1 | M | 35.7 | Very low | 33.4 | Very low | 238 Ų | 238 | 150.6 Ų | 150.6 | 100% | 1.172 | 80% | 0.795 | S | S | * | * | | | | 0 | 147.3 | 0 | -71.5 | -59.1 | -176.1 | 0 | 0 | 108.1 | | |
| 2 | N | 34.8 | Very low | 33.4 | Very low | 152 Ų | 152 | 153 Ų | 153 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | | | trans | -45.1 | 137.3 | -168.2 | -57.7 | -12.5 | 0 | 0 | 0 | 113.6 | | |
| 3 | V | 35.2 | Very low | 33 | Very low | 122 Ų | 122 | 156.3 Ų | 156.3 | 74% | 0.739 | 80% | 0.803 | S | S | * | * | | | | 71.9 | 93.2 | 53 | 179.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 4 | T | 35.6 | Very low | 33 | Very low | 119 Ų | 119 | 158.5 Ų | 158.5 | 73% | 0.73 | 80% | 0.804 | S | S | * | * | | | trans | 70.7 | 128.5 | 142.1 | 60.8 | 0 | 0 | 0 | 0 | 122.9 | | |
| 5 | S | 31.3 | Very low | 33.2 | Very low | 92 Ų | 92 | 164.8 Ų | 164.8 | 64% | 0.643 | 81% | 0.814 | S | S | * | * | | | | 93.6 | 139.7 | 119.3 | 61.5 | 0 | 0 | 0 | 0 | 121.5 | | |
| 6 | N | 31.5 | Very low | 33.1 | Very low | 131 Ų | 131 | 163.5 Ų | 163.5 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | | | trans | 77.2 | 103 | 159.3 | -55.5 | -18.9 | 0 | 0 | 0 | 117.2 | | |
| 7 | D | 36.3 | Very low | 32.8 | Very low | 170 Ų | 170 | 159.4 Ų | 159.4 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | | | | -136.5 | 127.4 | 126.8 | -93.3 | -41.9 | 0 | 0 | 0 | 109.5 | | |
| 8 | F | 29.9 | Very low | 32.5 | Very low | 165 Ų | 165 | 157.3 Ų | 157.3 | 72% | 0.724 | 80% | 0.798 | S | S | * | * | | | trans | -92.9 | 131.5 | 175.8 | -102.5 | -117.2 | 0 | 0 | 0 | 108.4 | Y10 | F8-Y10 AromaticContact CD1-CD2 3.82Å; F8-Y10 HydrophobicContact CD1-CD2 3.82Å; F8-Y10 HydrophobicContact CD1-CE2 4.25Å; F8-Y10 HydrophobicContact CE1-CD2 4.03Å; F8-Y10 AromaticContact CE1-CE2 3.98Å; F8-Y10 HydrophobicContact CE1-CE2 3.98Å |
| 9 | V | 34.7 | Very low | 32.5 | Very low | 130 Ų | 130 | 156.2 Ų | 156.2 | 79% | 0.788 | 80% | 0.8 | S | S | * | * | | | trans | -126.1 | 98.3 | 156.5 | -175.7 | 0 | 0 | 0 | 0 | 107.8 | | |
| 10 | Y | 27.6 | Very low | 32.3 | Very low | 196 Ų | 196 | 154.9 Ų | 154.9 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | | | trans | -88.5 | 127.8 | 165.1 | -115.6 | -106.3 | 0 | 0 | 0 | 106.7 | F8 | F8-Y10 AromaticContact CD1-CD2 3.82Å; F8-Y10 HydrophobicContact CD1-CD2 3.82Å; F8-Y10 HydrophobicContact CD1-CE2 4.25Å; F8-Y10 HydrophobicContact CE1-CD2 4.03Å; F8-Y10 AromaticContact CE1-CE2 3.98Å; F8-Y10 HydrophobicContact CE1-CE2 3.98Å |
| 11 | D | 34.7 | Very low | 32.2 | Very low | 142 Ų | 142 | 151 Ų | 151 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | | | trans | -137.3 | 146.3 | 173.6 | -130.4 | -22.8 | 0 | 0 | 0 | 113.6 | | |
| 12 | E | 33.9 | Very low | 32.1 | Very low | 179 Ų | 179 | 146.6 Ų | 146.6 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | | | trans | 43.4 | 94.6 | 172.7 | -60.8 | -156.7 | 115.1 | 0 | 0 | 121.4 | | |
| 13 | F | 28 | Very low | 31.8 | Very low | 196 Ų | 196 | 148.3 Ų | 148.3 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | | | trans | -76.3 | 127.8 | 138.5 | -91.7 | -104.1 | 0 | 0 | 0 | 110.4 | | |
| 14 | K | 33.5 | Very low | 31.7 | Very low | 187 Ų | 187 | 149 Ų | 149 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | | | trans | 168.4 | 118.5 | 130.2 | -96.4 | 170.9 | -176.3 | 179.3 | 0 | 113.7 | | |
| 15 | R | 35.6 | Very low | 31.4 | Very low | 253 Ų | 253 | 150.5 Ų | 150.5 | 96% | 0.955 | 79% | 0.793 | S | S | * | * | | | trans | -157 | 124.6 | 132.8 | -108.6 | -179.5 | -151.9 | -161.8 | 7.8 | 112 | | |
| 16 | L | 30.9 | Very low | 31.4 | Very low | 144 Ų | 144 | 153.9 Ų | 153.9 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | | | trans | -74.6 | 169.5 | 168.8 | -74.3 | 83.1 | 0 | 0 | 0 | 109.9 | | |
| 17 | S | 28.2 | Very low | 31.4 | Very low | 94 Ų | 94 | 157 Ų | 157 | 66% | 0.657 | 81% | 0.809 | S | S | * | * | | | cis | -170.2 | 152.8 | -16.4 | -94.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 18 | T | 27.2 | Very low | 31.3 | Very low | 122 Ų | 122 | 155 Ų | 155 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | | | trans | 31.3 | 131.8 | 145.4 | 62.4 | 0 | 0 | 0 | 0 | 124.2 | | |
| 19 | T | 32 | Very low | 31.3 | Very low | 135 Ų | 135 | 153.6 Ų | 153.6 | 83% | 0.828 | 81% | 0.811 | S | S | * | * | | | trans | -167.4 | 111.8 | 140.7 | 19.4 | 0 | 0 | 0 | 0 | 106.4 | | |
| 20 | T | 30 | Very low | 31 | Very low | 131 Ų | 131 | 151.9 Ų | 151.9 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | | 89.2 | 115.1 | 55.4 | 58.2 | 0 | 0 | 0 | 0 | 115.9 | | |
| 21 | G | 30.5 | Very low | 31.2 | Very low | 73 Ų | 73 | 149.2 Ų | 149.2 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | | | trans | 101.6 | 144.1 | 165 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 22 | T | 33 | Very low | 31.1 | Very low | 145 Ų | 145 | 150.4 Ų | 150.4 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | | | cis | -154 | 160.9 | -7.8 | 28.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 23 | K | 29.1 | Very low | 30.8 | Very low | 188 Ų | 188 | 149.1 Ų | 149.1 | 82% | 0.817 | 81% | 0.809 | S | S | * | * | | | trans | -76.3 | 149.6 | -176.5 | -59.4 | 173.7 | 179.5 | 178.8 | 0 | 112.9 | | |
| 24 | T | 33 | Very low | 30.9 | Very low | 136 Ų | 136 | 145 Ų | 145 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | | | trans | -138.9 | 115.3 | 156.5 | 23.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 25 | D | 28 | Very low | 30.9 | Very low | 151 Ų | 151 | 144.1 Ų | 144.1 | 81% | 0.807 | 81% | 0.808 | S | S | * | * | | | trans | -91.8 | 121.8 | 175.2 | -69.5 | -63 | 0 | 0 | 0 | 109.8 | | |
| 26 | I | 32.7 | Very low | 30.4 | Very low | 163 Ų | 163 | 137.4 Ų | 137.4 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | | | trans | -132.3 | 125.8 | 168.1 | -58.1 | -178.3 | 0 | 0 | 0 | 108.7 | | |
| 27 | K | 30.6 | Very low | 30.4 | Very low | 196 Ų | 196 | 134.7 Ų | 134.7 | 85% | 0.852 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 148.4 | -176.2 | -79 | -179.4 | 175 | 177.3 | 0 | 112.4 | | |
| 28 | P | 33.8 | Very low | 30.5 | Very low | 129 Ų | 129 | 140.2 Ų | 140.2 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 142.5 | 177.6 | 31.7 | -35.1 | 0 | 0 | 0 | 112.2 | | |
| 29 | T | 31.1 | Very low | 30.5 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 136.2 | 174 | -10.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 30 | A | 27.8 | Very low | 30.7 | Very low | 93 Ų | 93 | 138.3 Ų | 138.3 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 134.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 31 | N | 32.5 | Very low | 30.7 | Very low | 140 Ų | 140 | 140.1 Ų | 140.1 | 75% | 0.749 | 81% | 0.808 | S | S | * | * | | | trans | -147 | 110.5 | 165.1 | -81.5 | -43.6 | 0 | 0 | 0 | 107.2 | | |
| 32 | Q | 31.2 | Very low | 30.9 | Very low | 167 Ų | 167 | 143.2 Ų | 143.2 | 78% | 0.78 | 81% | 0.807 | S | S | * | * | | | | 75.3 | 95.2 | 99.7 | -69.8 | -147.5 | -10.7 | 0 | 0 | 115.6 | | |
| 33 | D | 27.1 | Very low | 30.8 | Very low | 152 Ų | 152 | 144.8 Ų | 144.8 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | | | | 33.5 | 113.1 | 125.7 | -53.2 | -29 | 0 | 0 | 0 | 119.9 | | |
| 34 | S | 31.9 | Very low | 31.1 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | | | trans | -167.7 | 123.8 | 133.5 | 20.5 | 0 | 0 | 0 | 0 | 114.7 | | |
| 35 | L | 31.7 | Very low | 31 | Very low | 168 Ų | 168 | 143.3 Ų | 143.3 | 88% | 0.88 | 80% | 0.799 | S | S | * | * | | | trans | 64.1 | 84.3 | 139.9 | -58.9 | 170.9 | 0 | 0 | 0 | 120.5 | A37 | L35-A37 PolarHBondContact O-N 3.12Š|
| 36 | S | 26.9 | Very low | 31.3 | Very low | 112 Ų | 112 | 145.1 Ų | 145.1 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | | | trans | -14.2 | 116.1 | 136.6 | -178.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 37 | A | 29.5 | Very low | 31.4 | Very low | 86 Ų | 86 | 147.2 Ų | 147.2 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | | | | 77.2 | 83.1 | 59.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | L35 | L35-A37 PolarHBondContact O-N 3.12Š|
| 38 | K | 30.8 | Very low | 31.4 | Very low | 210 Ų | 210 | 145.8 Ų | 145.8 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | | | trans | -148.5 | 75 | 161 | -74 | -169.7 | 179.9 | 173.9 | 0 | 112.6 | | |
| 39 | S | 27.7 | Very low | 31.4 | Very low | 107 Ų | 107 | 148.5 Ų | 148.5 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -167.4 | 150.2 | 156.1 | -154.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 40 | T | 34.9 | Very low | 31.8 | Very low | 111 Ų | 111 | 148 Ų | 148 | 68% | 0.681 | 80% | 0.797 | S | S | * | * | | | trans | 58.3 | 90.4 | 166.2 | 55.3 | 0 | 0 | 0 | 0 | 118.6 | N42 | T40-N42 PolarHBondContact O-N 2.82Š|
| 41 | D | 31.2 | Very low | 31.9 | Very low | 169 Ų | 169 | 153.3 Ų | 153.3 | 90% | 0.904 | 80% | 0.799 | S | S | * | * | | | trans | -67.5 | 77.2 | 157.7 | -65.3 | -49.1 | 0 | 0 | 0 | 111.3 | L43 | D41-L43 PolarHBondContact O-N 2.87Š|
| 42 | N | 33.9 | Very low | 32 | Very low | 138 Ų | 138 | 155.5 Ų | 155.5 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | | | trans | -79.7 | 106.9 | 163.9 | -87.3 | -54.1 | 0 | 0 | 0 | 109 | T40 H44 | T40-N42 PolarHBondContact O-N 2.82Å; N42-H44 VanDerWaalsContact C-N 3.28Å; N42-H44 PolarHBondContact O-N 2.99Å |
| 43 | L | 32.1 | Very low | 32.1 | Very low | 177 Ų | 177 | 153.5 Ų | 153.5 | 93% | 0.927 | 80% | 0.803 | S | S | * | * | | | trans | -64.6 | 83.6 | 175.1 | -74.7 | 166.9 | 0 | 0 | 0 | 111 | D41 L45 | D41-L43 PolarHBondContact O-N 2.87Å; L43-L45 PolarHBondContact O-N 2.91Å |
| 44 | H | 34.2 | Very low | 32.3 | Very low | 160 Ų | 160 | 155.8 Ų | 155.8 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | | | trans | -69.8 | 121.7 | 174.7 | -166 | -86.1 | 0 | 0 | 0 | 109.8 | N42 F46 | N42-H44 VanDerWaalsContact C-N 3.28Å; N42-H44 PolarHBondContact O-N 2.99Å; H44-F46 PolarHBondContact O-N 3.22Å |
| 45 | L | 31.5 | Very low | 32.6 | Very low | 133 Ų | 133 | 156 Ų | 156 | 70% | 0.696 | 80% | 0.8 | S | S | * | * | | | trans | -64.4 | 107.7 | -174.6 | -169.5 | 68.9 | 0 | 0 | 0 | 110.4 | L43 Y47 | L43-L45 PolarHBondContact O-N 2.91Å; L45-Y47 PolarHBondContact O-N 3.07Å; L45-Y47 VanDerWaalsContact O-N 3.08Å |
| 46 | F | 34.1 | Very low | 32.6 | Very low | 190 Ų | 190 | 152.6 Ų | 152.6 | 83% | 0.833 | 80% | 0.797 | S | S | * | * | | | trans | -69.1 | 106.4 | 175.6 | -86.1 | -86.9 | 0 | 0 | 0 | 110.5 | H44 L48 | H44-F46 PolarHBondContact O-N 3.22Å; F46-L48 VanDerWaalsContact C-N 3.29Å; F46-L48 PolarHBondContact O-N 2.75Å |
| 47 | Y | 35.3 | Very low | 33 | Very low | 206 Ų | 206 | 153.3 Ų | 153.3 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | | | trans | -64.9 | 89.6 | 162 | -81.1 | -94.1 | 0 | 0 | 0 | 109.5 | L45 K49 | L45-Y47 PolarHBondContact O-N 3.07Å; L45-Y47 VanDerWaalsContact O-N 3.08Å; Y47-K49 PolarHBondContact O-N 2.87Å |
| 48 | L | 30.2 | Very low | 33.3 | Very low | 166 Ų | 166 | 155.5 Ų | 155.5 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 117.8 | 166.7 | -85.8 | 163.5 | 0 | 0 | 0 | 108.7 | F46 | F46-L48 VanDerWaalsContact C-N 3.29Å; F46-L48 PolarHBondContact O-N 2.75Å |
| 49 | K | 34.8 | Very low | 33.4 | Very low | 187 Ų | 187 | 152.9 Ų | 152.9 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 149 | -177.3 | -70.5 | -179.9 | 178.7 | 178.2 | 0 | 110.8 | Y47 Y51 | Y47-K49 PolarHBondContact O-N 2.87Å; K49-Y51 PolarHBondContact O-N 3.44Å |
| 50 | P | 38.6 | Very low | 33.7 | Very low | 125 Ų | 125 | 155.2 Ų | 155.2 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 138.1 | -176.6 | 21.6 | -33.5 | 0 | 0 | 0 | 112.3 | K52 | P50-K52 PolarHBondContact O-N 2.78Š|
| 51 | Y | 29.6 | Very low | 33.7 | Very low | 205 Ų | 205 | 158.5 Ų | 158.5 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 132.3 | 175.8 | -106.6 | -105.8 | 0 | 0 | 0 | 110.6 | K49 | K49-Y51 PolarHBondContact O-N 3.44Š|
| 52 | K | 34.9 | Very low | 34 | Very low | 186 Ų | 186 | 158 Ų | 158 | 81% | 0.809 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 130.7 | 171 | -69.1 | -174.4 | 177.1 | -176.7 | 0 | 108.8 | P50 Y54 | P50-K52 PolarHBondContact O-N 2.78Å; K52-Y54 PolarHBondContact O-N 2.87Å |
| 53 | P | 34.4 | Very low | 33.8 | Very low | 125 Ų | 125 | 157.6 Ų | 157.6 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 136.8 | 175.9 | 26.1 | -33.1 | 0 | 0 | 0 | 110.1 | | |
| 54 | Y | 31 | Very low | 33.9 | Very low | 200 Ų | 200 | 155.4 Ų | 155.4 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 142.9 | 174.6 | -77.8 | -92.8 | 0 | 0 | 0 | 110.3 | K52 A56 | K52-Y54 PolarHBondContact O-N 2.87Å; Y54-A56 PolarHBondContact O-N 2.87Å |
| 55 | P | 36.6 | Very low | 34 | Very low | 114 Ų | 114 | 155.5 Ų | 155.5 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 127.6 | 177.6 | 26.9 | -33.5 | 0 | 0 | 0 | 109.9 | T57 | P55-T57 PolarHBondContact O-N 2.87Å; P55-T57 VanDerWaalsContact O-N 3.08Å |
| 56 | A | 33.7 | Very low | 34.2 | Very low | 98 Ų | 98 | 159.8 Ų | 159.8 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | | | trans | -66.3 | 108.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y54 T58 | Y54-A56 PolarHBondContact O-N 2.87Å; A56-T58 PolarHBondContact O-N 3.04Å; A56-T58 VanDerWaalsContact O-N 3.13Å |
| 57 | T | 35.2 | Very low | 34.3 | Very low | 127 Ų | 127 | 158.2 Ų | 158.2 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | | | trans | -67.8 | 108.9 | 171 | 46.9 | 0 | 0 | 0 | 0 | 109 | P55 I59 | P55-T57 PolarHBondContact O-N 2.87Å; P55-T57 VanDerWaalsContact O-N 3.08Å; T57-I59 PolarHBondContact O-N 3.35Å |
| 58 | T | 33.8 | Very low | 34.6 | Very low | 132 Ų | 132 | 157.8 Ų | 157.8 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | | | trans | -56 | 115.7 | 175.1 | 45.5 | 0 | 0 | 0 | 0 | 110.3 | A56 N60 | A56-T58 PolarHBondContact O-N 3.04Å; A56-T58 VanDerWaalsContact O-N 3.13Å; T58-N60 PolarHBondContact O-N 2.77Å |
| 59 | I | 34.2 | Very low | 35.2 | Very low | 155 Ų | 155 | 158.5 Ų | 158.5 | 80% | 0.795 | 81% | 0.81 | S | S | * | * | | | trans | -72.4 | 112.7 | 175.2 | -59.6 | 173 | 0 | 0 | 0 | 107.1 | T57 E61 | T57-I59 PolarHBondContact O-N 3.35Å; I59-E61 PolarHBondContact O-N 2.8Å; I59-E61 VanDerWaalsContact O-N 3.15Å |
| 60 | N | 32.7 | Very low | 35.4 | Very low | 155 Ų | 155 | 154.1 Ų | 154.1 | 83% | 0.829 | 81% | 0.808 | S | S | * | * | | | trans | -68.9 | 110.9 | 174.6 | -110.3 | -18 | 0 | 0 | 0 | 109.4 | T58 N62 | T58-N60 PolarHBondContact O-N 2.77Å; N60-N62 VanDerWaalsContact C-N 3.3Å; N60-N62 PolarHBondContact O-N 3.19Å |
| 61 | E | 35 | Very low | 35.7 | Very low | 181 Ų | 181 | 153.5 Ų | 153.5 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | | | trans | -69.8 | 77.3 | 177.6 | -61.8 | -179.3 | 154.7 | 0 | 0 | 111.1 | I59 | I59-E61 PolarHBondContact O-N 2.8Å; I59-E61 VanDerWaalsContact O-N 3.15Å |
| 62 | N | 37.5 | Very low | 36.7 | Very low | 157 Ų | 157 | 149.6 Ų | 149.6 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | | | trans | -160.4 | 54.2 | 172.7 | -99.2 | -38.4 | 0 | 0 | 0 | 114 | N60 | N60-N62 VanDerWaalsContact C-N 3.3Å; N60-N62 PolarHBondContact O-N 3.19Å |
| 63 | N | 31.6 | Very low | 37.3 | Very low | 131 Ų | 131 | 146.9 Ų | 146.9 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | | | trans | -158 | 76.2 | 155 | -130.1 | -22.5 | 0 | 0 | 0 | 113.2 | Q65 | N63-Q65 PolarHBondContact O-N 3.02Š|
| 64 | S | 33.3 | Very low | 37.9 | Very low | 130 Ų | 130 | 149.2 Ų | 149.2 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | | | trans | -73.2 | 60.3 | 172.7 | -64.2 | 0 | 0 | 0 | 0 | 112.3 | R66 | S64-R66 PolarHBondContact O-N 3.37Š|
| 65 | Q | 36.8 | Very low | 39 | Very low | 162 Ų | 162 | 148.6 Ų | 148.6 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | | | trans | -79.5 | 77.9 | 172 | -71.5 | -165.1 | 12.9 | 0 | 0 | 111.3 | N63 I67 | N63-Q65 PolarHBondContact O-N 3.02Å; Q65-I67 PolarHBondContact O-N 3.26Å |
| 66 | R | 34.9 | Very low | 39.8 | Very low | 224 Ų | 224 | 151 Ų | 151 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | | | trans | 33.4 | 87.5 | 144.5 | -166 | 177.6 | -119.1 | -111.5 | 0.9 | 114.7 | S64 K68 | S64-R66 PolarHBondContact O-N 3.37Å; R66-K68 PolarHBondContact O-N 3.35Å |
| 67 | I | 36.5 | Very low | 41.1 | Very low | 156 Ų | 156 | 150.9 Ų | 150.9 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | | | trans | -46.1 | 118 | 160.2 | -61.8 | 170.4 | 0 | 0 | 0 | 107.3 | Q65 E69 | Q65-I67 PolarHBondContact O-N 3.26Å; I67-E69 PolarHBondContact O-N 3.22Å |
| 68 | K | 42.4 | Very low | 42.4 | Very low | 198 Ų | 198 | 148.6 Ų | 148.6 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | | | trans | -69.7 | 104 | 169.8 | -73.3 | -177.4 | 179.6 | 177.9 | 0 | 106.6 | R66 A70 | R66-K68 PolarHBondContact O-N 3.35Å; K68-A70 PolarHBondContact O-N 2.93Å |
| 69 | E | 41.7 | Very low | 44.3 | Very low | 181 Ų | 181 | 147.3 Ų | 147.3 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | | | trans | -52.4 | 108.9 | 173.5 | -66.2 | 175.9 | 159.2 | 0 | 0 | 108.8 | I67 N71 | I67-E69 PolarHBondContact O-N 3.22Å; E69-N71 PolarHBondContact O-N 2.63Å; E69-N71 VanDerWaalsContact O-N 3.12Å |
| 70 | A | 38.5 | Very low | 46.6 | Very low | 95 Ų | 95 | 144 Ų | 144 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | | | trans | -63.9 | 114 | 171.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | K68 P72 | K68-A70 PolarHBondContact O-N 2.93Å; A70-P72 VanDerWaalsContact O-CD 3.29Å; A70-P72 WeakPolarHBondContact O-CD 3.48Å; A70-P72 VanDerWaalsContact O-N 3.11Å |
| 71 | N | 45.5 | Very low | 48.8 | Very low | 111 Ų | 111 | 141.3 Ų | 141.3 | 59% | 0.594 | 72% | 0.722 | S | S | * | * | | | trans | -62.6 | 113.8 | -169.2 | -171.5 | -19.2 | 0 | 0 | 0 | 109.8 | E69 N73 E74 | E69-N71 PolarHBondContact O-N 2.63Å; E69-N71 VanDerWaalsContact O-N 3.12Å; N71-N73 PolarHBondContact O-N 2.77Å; N71-N73 PolarHBondContact OD1-N 2.91Å; N71-N73 PolarHBondContact OD1-ND2 3.07Å; N71-E74 PolarHBondContact O-N 3Å |
| 72 | P | 49.8 | Very low | 50.8 | Low | 124 Ų | 124 | 139.7 Ų | 139.7 | 81% | 0.805 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 1.4 | -172.3 | 28.7 | -35.8 | 0 | 0 | 0 | 113.8 | A70 | A70-P72 VanDerWaalsContact O-CD 3.29Å; A70-P72 WeakPolarHBondContact O-CD 3.48Å; A70-P72 VanDerWaalsContact O-N 3.11Å |
| 73 | N | 49 | Very low | 53 | Low | 128 Ų | 128 | 134.7 Ų | 134.7 | 68% | 0.684 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -2.7 | 175.3 | -70 | -51.1 | 0 | 0 | 0 | 114.6 | N71 K75 | N71-N73 PolarHBondContact O-N 2.77Å; N71-N73 PolarHBondContact OD1-N 2.91Å; N71-N73 PolarHBondContact OD1-ND2 3.07Å; N73-K75 PolarHBondContact O-N 2.88Å |
| 74 | E | 47.3 | Very low | 55.8 | Low | 175 Ų | 175 | 134.1 Ų | 134.1 | 82% | 0.818 | 68% | 0.68 | S | S | * | * | | | trans | -73.2 | 78.6 | 169.5 | -166.7 | 164.1 | -150.9 | 0 | 0 | 109.9 | N71 F76 | N71-E74 PolarHBondContact O-N 3Å; E74-F76 PolarHBondContact O-N 3.46Å |
| 75 | K | 52.3 | Low | 58.2 | Low | 187 Ų | 187 | 130.7 Ų | 130.7 | 81% | 0.813 | 66% | 0.66 | S | S | * | * | | | trans | -59 | 102.3 | 172.1 | -71.2 | -176.4 | 179.1 | 179.8 | 0 | 108.3 | N73 N77 | N73-K75 PolarHBondContact O-N 2.88Å; K75-N77 PolarHBondContact O-N 2.82Å |
| 76 | F | 53.3 | Low | 60.7 | Low | 164 Ų | 164 | 129.2 Ų | 129.2 | 72% | 0.719 | 65% | 0.648 | S | S | * | * | | | trans | -54.9 | 101.1 | -178.9 | -163.6 | -94 | 0 | 0 | 0 | 109.8 | E74 T78 | E74-F76 PolarHBondContact O-N 3.46Å; F76-T78 PolarHBondContact O-N 3.35Å |
| 77 | N | 62 | Low | 63.3 | Low | 96 Ų | 96 | 125.6 Ų | 125.6 | 51% | 0.513 | 64% | 0.636 | S | S | . | * | | | trans | -77.1 | 101.3 | -168.9 | -172.4 | 0.1 | 0 | 0 | 0 | 109.8 | K75 D79 D80 | K75-N77 PolarHBondContact O-N 2.82Å; N77-D79 PolarHBondContact O-N 2.94Å; N77-D79 VanDerWaalsContact O-N 3.12Å; N77-D79 WeakPolarHBondContact OD1-CB 3.33Å; N77-D79 PolarHBondContact OD1-N 3.4Å; N77-D79 VanDerWaalsContact OD1-N 3.12Å; N77-D80 PolarHBondContact O-N 2.91Å; N77-D80 VanDerWaalsContact O-N 3.1Å |
| 78 | T | 63.1 | Low | 65.8 | Low | 78 Ų | 78 | 123.3 Ų | 123.3 | 48% | 0.479 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -55 | -30 | 178.2 | 47.2 | 0 | 0 | 0 | 0 | 112.6 | F76 D80 L81 F82 | F76-T78 PolarHBondContact O-N 3.35Å; T78-D80 VanDerWaalsContact C-N 3.31Å; T78-D80 PolarHBondContact O-N 2.83Å; T78-L81 WeakPolarHBondContact O-CB 3.25Å; T78-L81 PolarHBondContact O-N 2.92Å; T78-F82 WeakPolarHBondContact O-CD2 3.48Å; T78-F82 PolarHBondContact O-N 3.4Å |
| 79 | D | 73.1 | Confident | 67.9 | Low | 105 Ų | 105 | 120.2 Ų | 120.2 | 56% | 0.561 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -72.2 | -26.6 | -176.7 | -56.7 | -15 | 0 | 0 | 0 | 112.1 | N77 S83 | N77-D79 PolarHBondContact O-N 2.94Å; N77-D79 VanDerWaalsContact O-N 3.12Å; N77-D79 WeakPolarHBondContact OD1-CB 3.33Å; N77-D79 PolarHBondContact OD1-N 3.4Å; N77-D79 VanDerWaalsContact OD1-N 3.12Å; D79-S83 VanDerWaalsContact O-CB 3.29Å; D79-S83 WeakPolarHBondContact O-CB 3.36Å; D79-S83 PolarHBondContact O-N 3.5Å; D79-S83 PolarHBondContact O-OG 3.15Å |
| 80 | D | 81.9 | Confident | 70.3 | Confident | 85 Ų | 85 | 115.7 Ų | 115.7 | 46% | 0.455 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -73.8 | -34.8 | 171.8 | -170.8 | 56.1 | 0 | 0 | 0 | 111.4 | N77 T78 S83 K84 | N77-D80 PolarHBondContact O-N 2.91Å; N77-D80 VanDerWaalsContact O-N 3.1Å; T78-D80 VanDerWaalsContact C-N 3.31Å; T78-D80 PolarHBondContact O-N 2.83Å; D80-S83 PolarHBondContact O-N 3.22Å; D80-K84 WeakPolarHBondContact O-CB 3.45Å; D80-K84 WeakPolarHBondContact O-CG 3.49Å; D80-K84 PolarHBondContact O-N 2.94Å; D80-K84 WeakPolarHBondContact OD2-CE 3.31Å |
| 81 | L | 78.6 | Confident | 72.7 | Confident | 100 Ų | 100 | 115.4 Ų | 115.4 | 52% | 0.524 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.9 | -44.6 | 174 | -165.5 | 75.5 | 0 | 0 | 0 | 111.3 | T78 K84 A85 | T78-L81 WeakPolarHBondContact O-CB 3.25Å; T78-L81 PolarHBondContact O-N 2.92Å; L81-K84 PolarHBondContact O-N 3.09Å; L81-A85 WeakPolarHBondContact O-CB 3.27Å; L81-A85 PolarHBondContact O-N 2.97Å |
| 82 | F | 78.4 | Confident | 74.3 | Confident | 147 Ų | 147 | 119.1 Ų | 119.1 | 65% | 0.645 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.9 | -38.9 | 174.3 | -72.4 | -63.4 | 0 | 0 | 0 | 112.2 | T78 A85 Y86 | T78-F82 WeakPolarHBondContact O-CD2 3.48Å; T78-F82 PolarHBondContact O-N 3.4Å; F82-A85 PolarHBondContact O-N 2.74Å; F82-Y86 WeakPolarHBondContact O-CB 3.33Å; F82-Y86 PolarHBondContact O-N 3.41Å |
| 83 | S | 83.5 | Confident | 75.6 | Confident | 52 Ų | 52 | 117.6 Ų | 117.6 | 36% | 0.364 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.6 | -48.2 | 174.2 | -64.7 | 0 | 0 | 0 | 0 | 111.6 | D79 D80 A85 Y86 Y87 | D79-S83 VanDerWaalsContact O-CB 3.29Å; D79-S83 WeakPolarHBondContact O-CB 3.36Å; D79-S83 PolarHBondContact O-N 3.5Å; D79-S83 PolarHBondContact O-OG 3.15Å; D80-S83 PolarHBondContact O-N 3.22Å; S83-A85 PolarHBondContact O-N 3.32Å; S83-Y86 PolarHBondContact O-N 3.49Å; S83-Y87 WeakPolarHBondContact O-CD2 3.45Å; S83-Y87 PolarHBondContact O-N 3.06Å |
| 84 | K | 89.3 | Confident | 77 | Confident | 118 Ų | 118 | 119.3 Ų | 119.3 | 51% | 0.513 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -58.8 | -47.1 | 175.8 | -77.6 | 169 | -177.5 | -75.6 | 0 | 112 | D80 L81 Y86 Y87 D88 | D80-K84 WeakPolarHBondContact O-CB 3.45Å; D80-K84 WeakPolarHBondContact O-CG 3.49Å; D80-K84 PolarHBondContact O-N 2.94Å; D80-K84 WeakPolarHBondContact OD2-CE 3.31Å; L81-K84 PolarHBondContact O-N 3.09Å; K84-Y86 VanDerWaalsContact C-N 3.33Å; K84-Y86 PolarHBondContact O-N 3.36Å; K84-Y87 PolarHBondContact O-N 3.06Å; K84-D88 WeakPolarHBondContact O-CB 3.49Å; K84-D88 PolarHBondContact O-N 2.9Å |
| 85 | A | 84.4 | Confident | 78.3 | Confident | 58 Ų | 58 | 118.5 Ų | 118.5 | 48% | 0.479 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -59.4 | -42.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L81 F82 S83 D88 E89 | L81-A85 WeakPolarHBondContact O-CB 3.27Å; L81-A85 PolarHBondContact O-N 2.97Å; F82-A85 PolarHBondContact O-N 2.74Å; S83-A85 PolarHBondContact O-N 3.32Å; A85-D88 PolarHBondContact O-N 2.92Å; A85-E89 WeakPolarHBondContact O-CB 3.32Å; A85-E89 PolarHBondContact O-N 2.95Å |
| 86 | Y | 90 | Very high | 78.9 | Confident | 131 Ų | 131 | 119.1 Ų | 119.1 | 51% | 0.514 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.4 | -44.1 | 176 | 175.7 | -101.4 | 0 | 0 | 0 | 112.8 | F82 S83 K84 E89 M90 | F82-Y86 WeakPolarHBondContact O-CB 3.33Å; F82-Y86 PolarHBondContact O-N 3.41Å; S83-Y86 PolarHBondContact O-N 3.49Å; K84-Y86 VanDerWaalsContact C-N 3.33Å; K84-Y86 PolarHBondContact O-N 3.36Å; Y86-E89 PolarHBondContact O-N 3.19Å; Y86-M90 HydrophobicContact CE1-CG 4.13Å; Y86-M90 HydrophobicContact CE2-CE 3.91Å; Y86-M90 HydrophobicContact CE2-CG 4.16Å; Y86-M90 WeakPolarHBondContact O-CB 3.31Å; Y86-M90 WeakPolarHBondContact O-CG 3.47Å; Y86-M90 PolarHBondContact O-N 3.23Å; Y86-M90 WeakPolarHBondContact OH-CE 3.47Å |
| 87 | Y | 88.2 | Confident | 79.3 | Confident | 149 Ų | 149 | 119.5 Ų | 119.5 | 58% | 0.584 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.6 | -37.2 | 176.4 | -77.8 | -63 | 0 | 0 | 0 | 112.3 | S83 K84 M90 N91 | S83-Y87 WeakPolarHBondContact O-CD2 3.45Å; S83-Y87 PolarHBondContact O-N 3.06Å; K84-Y87 PolarHBondContact O-N 3.06Å; Y87-M90 PolarHBondContact O-N 2.96Å; Y87-N91 VanDerWaalsContact O-CB 3.27Å; Y87-N91 WeakPolarHBondContact O-CB 3.26Å; Y87-N91 VanDerWaalsContact O-CG 3.23Å; Y87-N91 PolarHBondContact O-N 3.33Å; Y87-N91 PolarHBondContact O-ND2 3.07Å; Y87-N91 VanDerWaalsContact O-ND2 3.15Å |
| 88 | D | 90.4 | Very high | 78.8 | Confident | 108 Ų | 108 | 119 Ų | 119 | 58% | 0.578 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.9 | -40.3 | 174.2 | -89.6 | -9.1 | 0 | 0 | 0 | 112.5 | K84 A85 N91 R92 | K84-D88 WeakPolarHBondContact O-CB 3.49Å; K84-D88 PolarHBondContact O-N 2.9Å; A85-D88 PolarHBondContact O-N 2.92Å; D88-N91 PolarHBondContact O-N 2.95Å; D88-R92 WeakPolarHBondContact O-CB 3.32Å; D88-R92 WeakPolarHBondContact O-CG 3.39Å; D88-R92 PolarHBondContact O-N 3.45Å |
| 89 | E | 86.7 | Confident | 78.1 | Confident | 133 Ų | 133 | 121.7 Ų | 121.7 | 62% | 0.621 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67 | -41.4 | 174.8 | -176.6 | 148.5 | -140.8 | 0 | 0 | 111.8 | A85 Y86 R92 L93 | A85-E89 WeakPolarHBondContact O-CB 3.32Å; A85-E89 PolarHBondContact O-N 2.95Å; Y86-E89 PolarHBondContact O-N 3.19Å; E89-R92 WeakPolarHBondContact O-CB 3.41Å; E89-R92 PolarHBondContact O-N 3.17Å; E89-L93 HydrophobicContact CG-CD1 4.32Å; E89-L93 PolarHBondContact O-N 2.84Å |
| 90 | M | 91.8 | Very high | 76.8 | Confident | 86 Ų | 86 | 125.1 Ų | 125.1 | 42% | 0.424 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64 | -40.2 | 173.1 | -79.7 | -63.1 | -161.8 | 0 | 0 | 112.6 | Y86 Y87 L93 K94 | Y86-M90 HydrophobicContact CE1-CG 4.13Å; Y86-M90 HydrophobicContact CE2-CE 3.91Å; Y86-M90 HydrophobicContact CE2-CG 4.16Å; Y86-M90 WeakPolarHBondContact O-CB 3.31Å; Y86-M90 WeakPolarHBondContact O-CG 3.47Å; Y86-M90 PolarHBondContact O-N 3.23Å; Y86-M90 WeakPolarHBondContact OH-CE 3.47Å; Y87-M90 PolarHBondContact O-N 2.96Å; M90-L93 PolarHBondContact O-N 3.21Å; M90-L93 HydrophobicContact SD-CD1 4.43Å; M90-K94 WeakPolarHBondContact O-CB 3.44Å; M90-K94 PolarHBondContact O-N 2.86Å |
| 91 | N | 87.8 | Confident | 75.2 | Confident | 89 Ų | 89 | 128.7 Ų | 128.7 | 48% | 0.476 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -65.5 | -38 | 174 | -79.2 | -33.6 | 0 | 0 | 0 | 111.9 | Y87 D88 K94 K95 | Y87-N91 VanDerWaalsContact O-CB 3.27Å; Y87-N91 WeakPolarHBondContact O-CB 3.26Å; Y87-N91 VanDerWaalsContact O-CG 3.23Å; Y87-N91 PolarHBondContact O-N 3.33Å; Y87-N91 PolarHBondContact O-ND2 3.07Å; Y87-N91 VanDerWaalsContact O-ND2 3.15Å; D88-N91 PolarHBondContact O-N 2.95Å; N91-K94 PolarHBondContact O-N 3.17Å; N91-K95 WeakPolarHBondContact O-CB 3.48Å; N91-K95 WeakPolarHBondContact O-CG 3.46Å; N91-K95 PolarHBondContact O-N 3.49Å |
| 92 | R | 79.1 | Confident | 73.6 | Confident | 189 Ų | 189 | 129 Ų | 129 | 71% | 0.713 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62.3 | -45.8 | 171 | -83.2 | 176.7 | 158.8 | -172.6 | -3.2 | 111.9 | D88 E89 K95 R96 | D88-R92 WeakPolarHBondContact O-CB 3.32Å; D88-R92 WeakPolarHBondContact O-CG 3.39Å; D88-R92 PolarHBondContact O-N 3.45Å; E89-R92 WeakPolarHBondContact O-CB 3.41Å; E89-R92 PolarHBondContact O-N 3.17Å; R92-K95 PolarHBondContact O-N 3.42Å; R92-R96 VanDerWaalsContact O-CG 3.29Å; R92-R96 WeakPolarHBondContact O-CG 3.3Å; R92-R96 PolarHBondContact O-N 3.24Å |
| 93 | L | 76.9 | Confident | 72 | Confident | 92 Ų | 92 | 130.8 Ų | 130.8 | 48% | 0.482 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -59.7 | -45.9 | 175.5 | -94.6 | 151.9 | 0 | 0 | 0 | 111.8 | E89 M90 R96 Q97 | E89-L93 HydrophobicContact CG-CD1 4.32Å; E89-L93 PolarHBondContact O-N 2.84Å; M90-L93 PolarHBondContact O-N 3.21Å; M90-L93 HydrophobicContact SD-CD1 4.43Å; L93-R96 WeakPolarHBondContact O-CB 3.49Å; L93-R96 PolarHBondContact O-N 3.1Å; L93-R96 VanDerWaalsContact O-N 3.12Å; L93-Q97 PolarHBondContact O-N 3.46Å; L93-Q97 VanDerWaalsContact O-N 3.14Å |
| 94 | K | 79.2 | Confident | 70.3 | Confident | 163 Ų | 163 | 136.3 Ų | 136.3 | 71% | 0.709 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -64.1 | -42.3 | 178.9 | -156.4 | 172.8 | -174 | 179.9 | 0 | 112.1 | M90 N91 R96 Q97 S98 | M90-K94 WeakPolarHBondContact O-CB 3.44Å; M90-K94 PolarHBondContact O-N 2.86Å; N91-K94 PolarHBondContact O-N 3.17Å; K94-R96 VanDerWaalsContact C-N 3.26Å; K94-R96 PolarHBondContact O-N 3.45Å; K94-Q97 PolarHBondContact O-N 3.46Å; K94-Q97 VanDerWaalsContact O-N 3.16Å; K94-S98 PolarHBondContact O-N 3.14Å |
| 95 | K | 75.6 | Confident | 68.1 | Low | 159 Ų | 159 | 134.7 Ų | 134.7 | 69% | 0.691 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -61.4 | -30.5 | 172.2 | -78 | -176.4 | 177.3 | -178.3 | 0 | 113.4 | N91 R92 S98 | N91-K95 WeakPolarHBondContact O-CB 3.48Å; N91-K95 WeakPolarHBondContact O-CG 3.46Å; N91-K95 PolarHBondContact O-N 3.49Å; R92-K95 PolarHBondContact O-N 3.42Å; K95-S98 WeakPolarHBondContact CA-OG 3.29Å; K95-S98 PolarHBondContact O-OG 3.13Å |
| 96 | R | 63.5 | Low | 66.2 | Low | 199 Ų | 199 | 135.5 Ų | 135.5 | 75% | 0.751 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -76 | -26.2 | 175.8 | -69.7 | 173.2 | 77.3 | 165.5 | 7.1 | 113.1 | R92 L93 K94 | R92-R96 VanDerWaalsContact O-CG 3.29Å; R92-R96 WeakPolarHBondContact O-CG 3.3Å; R92-R96 PolarHBondContact O-N 3.24Å; L93-R96 WeakPolarHBondContact O-CB 3.49Å; L93-R96 PolarHBondContact O-N 3.1Å; L93-R96 VanDerWaalsContact O-N 3.12Å; K94-R96 VanDerWaalsContact C-N 3.26Å; K94-R96 PolarHBondContact O-N 3.45Å |
| 97 | Q | 61.1 | Low | 64.5 | Low | 173 Ų | 173 | 135.2 Ų | 135.2 | 81% | 0.808 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -80.9 | -18.4 | 172 | -67.3 | -154.3 | -12.4 | 0 | 0 | 113.7 | L93 K94 L99 | L93-Q97 PolarHBondContact O-N 3.46Å; L93-Q97 VanDerWaalsContact O-N 3.14Å; K94-Q97 PolarHBondContact O-N 3.46Å; K94-Q97 VanDerWaalsContact O-N 3.16Å; Q97-L99 PolarHBondContact O-N 3.44Å |
| 98 | S | 51.6 | Low | 63.1 | Low | 84 Ų | 84 | 131.1 Ų | 131.1 | 59% | 0.587 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 1.8 | 169.4 | 52 | 0 | 0 | 0 | 0 | 114.5 | K94 K95 K100 | K94-S98 PolarHBondContact O-N 3.14Å; K95-S98 WeakPolarHBondContact CA-OG 3.29Å; K95-S98 PolarHBondContact O-OG 3.13Å; S98-K100 PolarHBondContact O-N 3.43Å |
| 99 | L | 50.3 | Low | 61.6 | Low | 136 Ų | 136 | 130.2 Ų | 130.2 | 71% | 0.712 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -66.2 | 107 | 159.5 | -112.6 | 91 | 0 | 0 | 0 | 107 | Q97 I101 | Q97-L99 PolarHBondContact O-N 3.44Å; L99-I101 PolarHBondContact O-N 2.93Å |
| 100 | K | 45.7 | Very low | 60.4 | Low | 177 Ų | 177 | 130.1 Ų | 130.1 | 77% | 0.77 | 65% | 0.654 | S | S | * | * | | | trans | -47.2 | 127.6 | 167.5 | -63.8 | 178.6 | -179.1 | 179.4 | 0 | 107.4 | S98 D102 | S98-K100 PolarHBondContact O-N 3.43Å; K100-D102 PolarHBondContact O-N 3.33Å |
| 101 | I | 48.3 | Very low | 59.3 | Low | 160 Ų | 160 | 127.6 Ų | 127.6 | 82% | 0.821 | 65% | 0.645 | S | S | * | * | | | trans | -72.5 | 80.9 | 166.4 | -59 | 169.6 | 0 | 0 | 0 | 104.6 | L99 E103 | L99-I101 PolarHBondContact O-N 2.93Å; I101-E103 PolarHBondContact O-N 2.91Å |
| 102 | D | 43.8 | Very low | 58.8 | Low | 105 Ų | 105 | 128.2 Ų | 128.2 | 56% | 0.561 | 65% | 0.647 | S | S | * | * | | | trans | -55.3 | 124.8 | 169.3 | -77.3 | -19.3 | 0 | 0 | 0 | 106.4 | K100 F104 | K100-D102 PolarHBondContact O-N 3.33Å; D102-F104 HydrophobicContact CB-CD2 3.61Å; D102-F104 HydrophobicContact CB-CE2 3.81Å; D102-F104 PolarHBondContact O-N 3.49Å |
| 103 | E | 45.9 | Very low | 58.7 | Low | 186 Ų | 186 | 124.8 Ų | 124.8 | 87% | 0.869 | 64% | 0.642 | S | S | * | * | | | trans | -73.7 | 34 | -171.6 | -60.6 | -170.3 | 133.9 | 0 | 0 | 113 | I101 S105 | I101-E103 PolarHBondContact O-N 2.91Å; E103-S105 PolarHBondContact O-N 3.09Å |
| 104 | F | 46.9 | Very low | 58.8 | Low | 167 Ų | 167 | 122.6 Ų | 122.6 | 73% | 0.732 | 64% | 0.637 | S | S | * | * | | | trans | -59.9 | 92.1 | 161.5 | -66.9 | -62.3 | 0 | 0 | 0 | 108.5 | D102 S106 | D102-F104 HydrophobicContact CB-CD2 3.61Å; D102-F104 HydrophobicContact CB-CE2 3.81Å; D102-F104 PolarHBondContact O-N 3.49Å; F104-S106 VanDerWaalsContact C-N 3.25Å; F104-S106 PolarHBondContact O-N 2.99Å |
| 105 | S | 43.2 | Very low | 59 | Low | 84 Ų | 84 | 120.4 Ų | 120.4 | 59% | 0.587 | 63% | 0.628 | S | S | * | * | | | trans | -53.3 | 89.9 | 175.1 | -169.7 | 0 | 0 | 0 | 0 | 109.2 | E103 T107 | E103-S105 PolarHBondContact O-N 3.09Å; S105-T107 PolarHBondContact O-N 3.27Å |
| 106 | S | 45.5 | Very low | 59.4 | Low | 76 Ų | 76 | 115.3 Ų | 115.3 | 53% | 0.531 | 62% | 0.615 | S | S | . | * | | | trans | -63.6 | 109.4 | 178 | -76.6 | 0 | 0 | 0 | 0 | 107.4 | F104 S108 S111 | F104-S106 VanDerWaalsContact C-N 3.25Å; F104-S106 PolarHBondContact O-N 2.99Å; S106-S108 PolarHBondContact O-N 2.96Å; S106-S108 VanDerWaalsContact O-N 3.17Å; S106-S111 WeakPolarHBondContact CB-OG 3.37Å; S106-S111 PolarHBondContact O-OG 3.05Å |
| 107 | T | 53.4 | Low | 60.5 | Low | 125 Ų | 125 | 113 Ų | 113 | 77% | 0.767 | 61% | 0.607 | S | S | * | * | | | trans | -75.1 | 7.7 | 176.3 | 51 | 0 | 0 | 0 | 0 | 112.6 | S105 S109 | S105-T107 PolarHBondContact O-N 3.27Å; T107-S109 PolarHBondContact O-N 3.46Å |
| 108 | S | 59 | Low | 61.6 | Low | 62 Ų | 62 | 110.6 Ų | 110.6 | 43% | 0.434 | 60% | 0.597 | S | S | . | * | | | trans | -57 | 133.3 | 167.1 | 164.2 | 0 | 0 | 0 | 0 | 110.3 | S106 L110 S111 I112 | S106-S108 PolarHBondContact O-N 2.96Å; S106-S108 VanDerWaalsContact O-N 3.17Å; S108-L110 PolarHBondContact O-N 3.19Å; S108-L110 VanDerWaalsContact O-N 3.12Å; S108-L110 PolarHBondContact OG-N 2.9Å; S108-S111 WeakPolarHBondContact CB-OG 3.45Å; S108-S111 PolarHBondContact O-N 2.95Å; S108-S111 VanDerWaalsContact O-N 3.12Å; S108-S111 PolarHBondContact O-OG 3.31Å; S108-I112 WeakPolarHBondContact O-CG1 3.4Å; S108-I112 PolarHBondContact O-N 3.46Å |
| 109 | S | 58.7 | Low | 63.2 | Low | 89 Ų | 89 | 112.3 Ų | 112.3 | 62% | 0.622 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -56.1 | -28.3 | 173.6 | 52.5 | 0 | 0 | 0 | 0 | 112.4 | T107 L113 | T107-S109 PolarHBondContact O-N 3.46Å; S109-L113 WeakPolarHBondContact O-CB 3.47Å; S109-L113 VanDerWaalsContact O-CG 3.31Å; S109-L113 WeakPolarHBondContact O-CG 3.31Å; S109-L113 PolarHBondContact O-N 3.01Å |
| 110 | L | 61.4 | Low | 64.9 | Low | 132 Ų | 132 | 111.3 Ų | 111.3 | 69% | 0.691 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -73.1 | -39.7 | 178.2 | -146.8 | 84.7 | 0 | 0 | 0 | 112.5 | S108 L113 A114 | S108-L110 PolarHBondContact O-N 3.19Å; S108-L110 VanDerWaalsContact O-N 3.12Å; S108-L110 PolarHBondContact OG-N 2.9Å; L110-L113 PolarHBondContact O-N 3.42Å; L110-A114 WeakPolarHBondContact O-CB 3.27Å; L110-A114 PolarHBondContact O-N 2.95Å |
| 111 | S | 69.1 | Low | 66.8 | Low | 32 Ų | 32 | 107.1 Ų | 107.1 | 22% | 0.224 | 57% | 0.572 | C | S | . | * | H | α-helix | trans | -75.8 | -29.4 | 176.4 | 42.3 | 0 | 0 | 0 | 0 | 112.4 | S106 S108 K115 | S106-S111 WeakPolarHBondContact CB-OG 3.37Å; S106-S111 PolarHBondContact O-OG 3.05Å; S108-S111 WeakPolarHBondContact CB-OG 3.45Å; S108-S111 PolarHBondContact O-N 2.95Å; S108-S111 VanDerWaalsContact O-N 3.12Å; S108-S111 PolarHBondContact O-OG 3.31Å; S111-K115 WeakPolarHBondContact O-CB 3.43Å; S111-K115 WeakPolarHBondContact O-CG 3.25Å; S111-K115 PolarHBondContact O-N 3.15Å |
| 112 | I | 77.4 | Confident | 68.3 | Low | 102 Ų | 102 | 104.3 Ų | 104.3 | 52% | 0.523 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.4 | -46.1 | 169 | -65.2 | 166.3 | 0 | 0 | 0 | 110 | S108 K115 A116 | S108-I112 WeakPolarHBondContact O-CG1 3.4Å; S108-I112 PolarHBondContact O-N 3.46Å; I112-K115 PolarHBondContact O-N 3.31Å; I112-A116 WeakPolarHBondContact O-CB 3.5Å; I112-A116 PolarHBondContact O-N 3.49Å |
| 113 | L | 76.6 | Confident | 70.3 | Confident | 118 Ų | 118 | 103.8 Ų | 103.8 | 62% | 0.618 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.4 | -41.7 | 174.9 | -78.9 | 166.7 | 0 | 0 | 0 | 112.6 | S109 L110 A116 Y117 | S109-L113 WeakPolarHBondContact O-CB 3.47Å; S109-L113 VanDerWaalsContact O-CG 3.31Å; S109-L113 WeakPolarHBondContact O-CG 3.31Å; S109-L113 PolarHBondContact O-N 3.01Å; L110-L113 PolarHBondContact O-N 3.42Å; L113-A116 PolarHBondContact O-N 3.46Å; L113-Y117 WeakPolarHBondContact O-CB 3.41Å; L113-Y117 PolarHBondContact O-N 2.92Å |
| 114 | A | 78.6 | Confident | 72 | Confident | 45 Ų | 45 | 99.4 Ų | 99.4 | 37% | 0.372 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.1 | -50.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L110 A116 Y117 E118 | L110-A114 WeakPolarHBondContact O-CB 3.27Å; L110-A114 PolarHBondContact O-N 2.95Å; A114-A116 VanDerWaalsContact C-N 3.32Å; A114-A116 PolarHBondContact O-N 2.96Å; A114-Y117 PolarHBondContact O-N 2.92Å; A114-Y117 VanDerWaalsContact O-N 3.17Å; A114-E118 WeakPolarHBondContact O-CB 3.43Å; A114-E118 WeakPolarHBondContact O-CG 3.32Å; A114-E118 PolarHBondContact O-N 3.08Å |
| 115 | K | 84.2 | Confident | 73.7 | Confident | 117 Ų | 117 | 97.8 Ų | 97.8 | 51% | 0.509 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.8 | -39.3 | 175.6 | -79.6 | -170.3 | 172.6 | -171.5 | 0 | 112.6 | S111 I112 Q119 | S111-K115 WeakPolarHBondContact O-CB 3.43Å; S111-K115 WeakPolarHBondContact O-CG 3.25Å; S111-K115 PolarHBondContact O-N 3.15Å; I112-K115 PolarHBondContact O-N 3.31Å; K115-Q119 WeakPolarHBondContact O-CB 3.44Å; K115-Q119 WeakPolarHBondContact O-CG 3.36Å; K115-Q119 PolarHBondContact O-N 3Å |
| 116 | A | 84 | Confident | 75.4 | Confident | 52 Ų | 52 | 98.1 Ų | 98.1 | 43% | 0.43 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.8 | -40.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I112 L113 A114 Q120 | I112-A116 WeakPolarHBondContact O-CB 3.5Å; I112-A116 PolarHBondContact O-N 3.49Å; L113-A116 PolarHBondContact O-N 3.46Å; A114-A116 VanDerWaalsContact C-N 3.32Å; A114-A116 PolarHBondContact O-N 2.96Å; A116-Q120 WeakPolarHBondContact O-CB 3.5Å; A116-Q120 PolarHBondContact O-N 3.36Å |
| 117 | Y | 85.8 | Confident | 76.4 | Confident | 150 Ų | 150 | 99.3 Ų | 99.3 | 59% | 0.588 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -70.1 | -41.6 | 177.4 | -170 | -111 | 0 | 0 | 0 | 112.3 | L113 A114 Q120 I121 | L113-Y117 WeakPolarHBondContact O-CB 3.41Å; L113-Y117 PolarHBondContact O-N 2.92Å; A114-Y117 PolarHBondContact O-N 2.92Å; A114-Y117 VanDerWaalsContact O-N 3.17Å; Y117-Q120 WeakPolarHBondContact O-CB 3.5Å; Y117-Q120 PolarHBondContact O-N 3.16Å; Y117-I121 HydrophobicContact CD1-CD1 3.79Å; Y117-I121 HydrophobicContact CE1-CD1 3.47Å; Y117-I121 VanDerWaalsContact CE1-CD1 3.47Å; Y117-I121 HydrophobicContact CE1-CG1 4.43Å; Y117-I121 WeakPolarHBondContact O-CG1 3.35Å; Y117-I121 PolarHBondContact O-N 3.4Å |
| 118 | E | 85.3 | Confident | 77.1 | Confident | 124 Ų | 124 | 98.3 Ų | 98.3 | 58% | 0.579 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.2 | -46.9 | 173 | -73.8 | 171.5 | 177.4 | 0 | 0 | 111.6 | A114 Q120 I121 E122 | A114-E118 WeakPolarHBondContact O-CB 3.43Å; A114-E118 WeakPolarHBondContact O-CG 3.32Å; A114-E118 PolarHBondContact O-N 3.08Å; E118-Q120 VanDerWaalsContact C-N 3.3Å; E118-Q120 PolarHBondContact O-N 3.05Å; E118-I121 PolarHBondContact O-N 2.84Å; E118-E122 WeakPolarHBondContact O-CB 3.14Å; E118-E122 PolarHBondContact O-N 3.36Å |
| 119 | Q | 84.5 | Confident | 77.3 | Confident | 120 Ų | 120 | 99.1 Ų | 99.1 | 56% | 0.561 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.4 | -37.9 | 173.2 | -78.8 | -174.6 | -3.8 | 0 | 0 | 112.4 | K115 E122 N123 | K115-Q119 WeakPolarHBondContact O-CB 3.44Å; K115-Q119 WeakPolarHBondContact O-CG 3.36Å; K115-Q119 PolarHBondContact O-N 3Å; Q119-E122 PolarHBondContact O-N 3.41Å; Q119-N123 VanDerWaalsContact O-CB 3.22Å; Q119-N123 WeakPolarHBondContact O-CB 3.25Å; Q119-N123 PolarHBondContact O-N 2.96Å; Q119-N123 PolarHBondContact O-ND2 3.13Å; Q119-N123 VanDerWaalsContact O-ND2 3.13Å |
| 120 | Q | 85.2 | Confident | 77.2 | Confident | 115 Ų | 115 | 103.8 Ų | 103.8 | 54% | 0.537 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 176.3 | -168.5 | 178.4 | 16.2 | 0 | 0 | 111.4 | A116 Y117 E118 N124 | A116-Q120 WeakPolarHBondContact O-CB 3.5Å; A116-Q120 PolarHBondContact O-N 3.36Å; Y117-Q120 WeakPolarHBondContact O-CB 3.5Å; Y117-Q120 PolarHBondContact O-N 3.16Å; E118-Q120 VanDerWaalsContact C-N 3.3Å; E118-Q120 PolarHBondContact O-N 3.05Å; Q120-N124 WeakPolarHBondContact O-CB 3.41Å; Q120-N124 PolarHBondContact O-N 3Å; Q120-N124 PolarHBondContact O-ND2 3.1Å |
| 121 | I | 85.3 | Confident | 76.6 | Confident | 89 Ų | 89 | 105.1 Ų | 105.1 | 46% | 0.456 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.5 | -45.9 | 174.7 | -69.7 | 168.9 | 0 | 0 | 0 | 110.9 | Y117 E118 N124 K125 | Y117-I121 HydrophobicContact CD1-CD1 3.79Å; Y117-I121 HydrophobicContact CE1-CD1 3.47Å; Y117-I121 VanDerWaalsContact CE1-CD1 3.47Å; Y117-I121 HydrophobicContact CE1-CG1 4.43Å; Y117-I121 WeakPolarHBondContact O-CG1 3.35Å; Y117-I121 PolarHBondContact O-N 3.4Å; E118-I121 PolarHBondContact O-N 2.84Å; I121-N124 PolarHBondContact O-N 2.98Å; I121-K125 PolarHBondContact O-N 3.32Å |
| 122 | E | 81.7 | Confident | 75.8 | Confident | 100 Ų | 100 | 108.4 Ų | 108.4 | 47% | 0.467 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.3 | -38.7 | -177.7 | -156.7 | -167.3 | 161.4 | 0 | 0 | 112.1 | E118 Q119 K125 K126 | E118-E122 WeakPolarHBondContact O-CB 3.14Å; E118-E122 PolarHBondContact O-N 3.36Å; Q119-E122 PolarHBondContact O-N 3.41Å; E122-K125 PolarHBondContact O-N 3.48Å; E122-K126 VanDerWaalsContact CD-NZ 3.25Å; E122-K126 WeakPolarHBondContact O-CB 3.44Å; E122-K126 WeakPolarHBondContact O-CG 3.22Å; E122-K126 PolarHBondContact O-N 2.9Å; E122-K126 WeakPolarHBondContact OE1-CE 3.48Å; E122-K126 IonicContact OE1-NZ 3.99Å; E122-K126 PolarHBondContact OE1-NZ 2.92Å; E122-K126 IonicContact OE2-NZ 3.55Å |
| 123 | N | 85.3 | Confident | 74.1 | Confident | 94 Ų | 94 | 109.2 Ų | 109.2 | 50% | 0.503 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64 | -40.9 | 172.5 | -76.2 | -30.5 | 0 | 0 | 0 | 111.8 | Q119 K125 K126 Q127 | Q119-N123 VanDerWaalsContact O-CB 3.22Å; Q119-N123 WeakPolarHBondContact O-CB 3.25Å; Q119-N123 PolarHBondContact O-N 2.96Å; Q119-N123 PolarHBondContact O-ND2 3.13Å; Q119-N123 VanDerWaalsContact O-ND2 3.13Å; N123-K125 VanDerWaalsContact C-N 3.34Å; N123-K126 PolarHBondContact O-N 3.06Å; N123-Q127 WeakPolarHBondContact O-CB 3.37Å; N123-Q127 VanDerWaalsContact O-CG 3.25Å; N123-Q127 WeakPolarHBondContact O-CG 3.46Å; N123-Q127 PolarHBondContact O-N 3.35Å |
| 124 | N | 82.2 | Confident | 72.4 | Confident | 94 Ų | 94 | 108.3 Ų | 108.3 | 50% | 0.503 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.9 | -40.5 | 173.4 | -75.1 | -24.6 | 0 | 0 | 0 | 111.7 | Q120 I121 Q127 I128 | Q120-N124 WeakPolarHBondContact O-CB 3.41Å; Q120-N124 PolarHBondContact O-N 3Å; Q120-N124 PolarHBondContact O-ND2 3.1Å; I121-N124 PolarHBondContact O-N 2.98Å; N124-Q127 WeakPolarHBondContact O-CB 3.34Å; N124-Q127 PolarHBondContact O-N 3.28Å; N124-I128 WeakPolarHBondContact O-CG1 3.31Å; N124-I128 PolarHBondContact O-N 2.88Å |
| 125 | K | 82.4 | Confident | 70.7 | Confident | 133 Ų | 133 | 113 Ų | 113 | 58% | 0.578 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.5 | -49.1 | 176.1 | -167 | 179.6 | 178.3 | -174 | 0 | 111.7 | I121 E122 N123 Q127 I128 D129 | I121-K125 PolarHBondContact O-N 3.32Å; E122-K125 PolarHBondContact O-N 3.48Å; N123-K125 VanDerWaalsContact C-N 3.34Å; K125-Q127 PolarHBondContact O-N 3Å; K125-I128 WeakPolarHBondContact O-CA 3.34Å; K125-I128 WeakPolarHBondContact O-CB 3.4Å; K125-I128 PolarHBondContact O-N 2.83Å; K125-D129 PolarHBondContact O-N 2.71Å |
| 126 | K | 77.3 | Confident | 68.4 | Low | 92 Ų | 92 | 117.1 Ų | 117.1 | 40% | 0.4 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -59 | -32.9 | 174.9 | -71.9 | 169.9 | -177 | 166.3 | 0 | 112.7 | E122 N123 R130 | E122-K126 VanDerWaalsContact CD-NZ 3.25Å; E122-K126 WeakPolarHBondContact O-CB 3.44Å; E122-K126 WeakPolarHBondContact O-CG 3.22Å; E122-K126 PolarHBondContact O-N 2.9Å; E122-K126 WeakPolarHBondContact OE1-CE 3.48Å; E122-K126 IonicContact OE1-NZ 3.99Å; E122-K126 PolarHBondContact OE1-NZ 2.92Å; E122-K126 IonicContact OE2-NZ 3.55Å; N123-K126 PolarHBondContact O-N 3.06Å; K126-R130 WeakPolarHBondContact O-CB 3.45Å; K126-R130 WeakPolarHBondContact O-CG 3.34Å; K126-R130 PolarHBondContact O-N 3.11Å; K126-R130 VanDerWaalsContact O-N 3.14Å |
| 127 | Q | 68.1 | Low | 66.3 | Low | 100 Ų | 100 | 125.1 Ų | 125.1 | 47% | 0.467 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -69.6 | -35.6 | 172.5 | -79.4 | -82.4 | 3.2 | 0 | 0 | 113.1 | N123 N124 K125 K131 | N123-Q127 WeakPolarHBondContact O-CB 3.37Å; N123-Q127 VanDerWaalsContact O-CG 3.25Å; N123-Q127 WeakPolarHBondContact O-CG 3.46Å; N123-Q127 PolarHBondContact O-N 3.35Å; N124-Q127 WeakPolarHBondContact O-CB 3.34Å; N124-Q127 PolarHBondContact O-N 3.28Å; K125-Q127 PolarHBondContact O-N 3Å; Q127-K131 WeakPolarHBondContact O-CD 3.5Å; Q127-K131 VanDerWaalsContact O-CG 3.26Å; Q127-K131 WeakPolarHBondContact O-CG 3.3Å; Q127-K131 PolarHBondContact O-N 2.86Å |
| 128 | I | 66.4 | Low | 63.8 | Low | 105 Ų | 105 | 124.8 Ų | 124.8 | 54% | 0.538 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -69.5 | -50.2 | 174.8 | -68 | 161.4 | 0 | 0 | 0 | 109.7 | N124 K125 R130 K131 T132 | N124-I128 WeakPolarHBondContact O-CG1 3.31Å; N124-I128 PolarHBondContact O-N 2.88Å; K125-I128 WeakPolarHBondContact O-CA 3.34Å; K125-I128 WeakPolarHBondContact O-CB 3.4Å; K125-I128 PolarHBondContact O-N 2.83Å; I128-R130 VanDerWaalsContact C-N 3.33Å; I128-R130 PolarHBondContact O-N 3.13Å; I128-K131 WeakPolarHBondContact O-CA 3.47Å; I128-K131 WeakPolarHBondContact O-CB 3.24Å; I128-K131 PolarHBondContact O-N 2.86Å; I128-T132 PolarHBondContact O-N 2.82Å; I128-T132 VanDerWaalsContact O-N 3.08Å; I128-T132 PolarHBondContact O-OG1 2.87Å |
| 129 | D | 63.4 | Low | 61.4 | Low | 79 Ų | 79 | 128 Ų | 128 | 42% | 0.422 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -59.4 | -43.8 | -177.4 | -61.8 | -25.6 | 0 | 0 | 0 | 111.3 | K125 K131 T132 T133 | K125-D129 PolarHBondContact O-N 2.71Å; D129-K131 VanDerWaalsContact C-N 3.28Å; D129-K131 PolarHBondContact O-N 2.91Å; D129-T132 WeakPolarHBondContact CA-OG1 3.41Å; D129-T132 PolarHBondContact O-N 3.17Å; D129-T132 VanDerWaalsContact O-N 3.15Å; D129-T132 PolarHBondContact O-OG1 2.79Å; D129-T133 PolarHBondContact O-N 3.38Å; D129-T133 PolarHBondContact O-OG1 3.19Å |
| 130 | R | 57 | Low | 59.1 | Low | 187 Ų | 187 | 127.2 Ų | 127.2 | 71% | 0.706 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -63.1 | -26.8 | 173.6 | -75.2 | 175.4 | -179.3 | -178.2 | 0.3 | 114.2 | K126 I128 | K126-R130 WeakPolarHBondContact O-CB 3.45Å; K126-R130 WeakPolarHBondContact O-CG 3.34Å; K126-R130 PolarHBondContact O-N 3.11Å; K126-R130 VanDerWaalsContact O-N 3.14Å; I128-R130 VanDerWaalsContact C-N 3.33Å; I128-R130 PolarHBondContact O-N 3.13Å |
| 131 | K | 49.7 | Very low | 56.4 | Low | 159 Ų | 159 | 131.4 Ų | 131.4 | 69% | 0.691 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -83.5 | -19.2 | 176.1 | -74.8 | 173.9 | -176.1 | 179.9 | 0 | 112.7 | Q127 I128 D129 | Q127-K131 WeakPolarHBondContact O-CD 3.5Å; Q127-K131 VanDerWaalsContact O-CG 3.26Å; Q127-K131 WeakPolarHBondContact O-CG 3.3Å; Q127-K131 PolarHBondContact O-N 2.86Å; I128-K131 WeakPolarHBondContact O-CA 3.47Å; I128-K131 WeakPolarHBondContact O-CB 3.24Å; I128-K131 PolarHBondContact O-N 2.86Å; D129-K131 VanDerWaalsContact C-N 3.28Å; D129-K131 PolarHBondContact O-N 2.91Å |
| 132 | T | 51 | Low | 54 | Low | 102 Ų | 102 | 133.4 Ų | 133.4 | 63% | 0.626 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -86 | -17.3 | 177 | 50.1 | 0 | 0 | 0 | 0 | 114.5 | I128 D129 S134 | I128-T132 PolarHBondContact O-N 2.82Å; I128-T132 VanDerWaalsContact O-N 3.08Å; I128-T132 PolarHBondContact O-OG1 2.87Å; D129-T132 WeakPolarHBondContact CA-OG1 3.41Å; D129-T132 PolarHBondContact O-N 3.17Å; D129-T132 VanDerWaalsContact O-N 3.15Å; D129-T132 PolarHBondContact O-OG1 2.79Å; T132-S134 PolarHBondContact O-N 2.83Å |
| 133 | T | 42.3 | Very low | 51.4 | Low | 119 Ų | 119 | 134.9 Ų | 134.9 | 73% | 0.73 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -99.7 | 38.7 | -178.4 | 47.5 | 0 | 0 | 0 | 0 | 114 | D129 | D129-T133 PolarHBondContact O-N 3.38Å; D129-T133 PolarHBondContact O-OG1 3.19Å |
| 134 | S | 40.1 | Very low | 48.9 | Very low | 99 Ų | 99 | 138.2 Ų | 138.2 | 69% | 0.692 | 69% | 0.693 | S | S | * | * | | | trans | -146.7 | 42.8 | 179.8 | -157.7 | 0 | 0 | 0 | 0 | 114.8 | T132 | T132-S134 PolarHBondContact O-N 2.83Š|
| 135 | I | 43.8 | Very low | 46.6 | Very low | 142 Ų | 142 | 142.4 Ų | 142.4 | 73% | 0.728 | 71% | 0.71 | S | S | * | * | | | trans | -127.1 | 75.4 | 158.6 | -53.7 | -178.1 | 0 | 0 | 0 | 108.5 | R137 | I135-R137 VanDerWaalsContact C-N 3.28Å; I135-R137 HydrophobicContact CG2-CB 4.47Å; I135-R137 HydrophobicContact CG2-CG 4.05Å; I135-R137 PolarHBondContact O-N 2.91Å |
| 136 | K | 35.4 | Very low | 44.3 | Very low | 205 Ų | 205 | 141.9 Ų | 141.9 | 89% | 0.891 | 72% | 0.723 | S | S | * | * | | | trans | -66.5 | 93.1 | 154.3 | -74.5 | -176.8 | 175 | -177.2 | 0 | 106.9 | | |
| 137 | R | 39.5 | Very low | 42 | Very low | 219 Ų | 219 | 140.8 Ų | 140.8 | 83% | 0.826 | 74% | 0.737 | S | S | * | * | | | trans | -83.5 | 124.1 | 162.8 | -103.7 | -175.7 | -172.3 | 157.6 | 4.2 | 107.8 | I135 E139 | I135-R137 VanDerWaalsContact C-N 3.28Å; I135-R137 HydrophobicContact CG2-CB 4.47Å; I135-R137 HydrophobicContact CG2-CG 4.05Å; I135-R137 PolarHBondContact O-N 2.91Å; R137-E139 PolarHBondContact O-N 3.31Å |
| 138 | N | 34.1 | Very low | 40.1 | Very low | 144 Ų | 144 | 143.9 Ų | 143.9 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | | | trans | -60.6 | 127.2 | -177.8 | -59 | -30.4 | 0 | 0 | 0 | 109.9 | S140 | N138-S140 VanDerWaalsContact C-N 3.25Å; N138-S140 PolarHBondContact O-N 2.79Å |
| 139 | E | 34.7 | Very low | 38.4 | Very low | 191 Ų | 191 | 148.6 Ų | 148.6 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | | | trans | -74.6 | 79.6 | 172.9 | -66.3 | 178.7 | 165.8 | 0 | 0 | 109.3 | R137 K141 | R137-E139 PolarHBondContact O-N 3.31Å; E139-K141 PolarHBondContact O-N 3.34Å |
| 140 | S | 35.8 | Very low | 36.8 | Very low | 104 Ų | 104 | 153.9 Ų | 153.9 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | trans | -69.1 | 100.8 | 167.1 | 52.8 | 0 | 0 | 0 | 0 | 109 | N138 T142 | N138-S140 VanDerWaalsContact C-N 3.25Å; N138-S140 PolarHBondContact O-N 2.79Å; S140-T142 PolarHBondContact O-N 3.26Å; S140-T142 VanDerWaalsContact O-N 3.16Å |
| 141 | K | 29.8 | Very low | 35.2 | Very low | 202 Ų | 202 | 150.7 Ų | 150.7 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | | | trans | -52.7 | 115.3 | 172.4 | -69.4 | 175.6 | 176.5 | 177.5 | 0 | 110.7 | E139 | E139-K141 PolarHBondContact O-N 3.34Š|
| 142 | T | 33.6 | Very low | 34.2 | Very low | 131 Ų | 131 | 149.1 Ų | 149.1 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | -130.9 | 94.6 | 153.4 | 53.2 | 0 | 0 | 0 | 0 | 108.1 | S140 N144 | S140-T142 PolarHBondContact O-N 3.26Å; S140-T142 VanDerWaalsContact O-N 3.16Å; T142-N144 PolarHBondContact O-N 2.76Å |
| 143 | T | 28.2 | Very low | 33 | Very low | 132 Ų | 132 | 148.9 Ų | 148.9 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | | | trans | -58.2 | 119.7 | 161.2 | 40.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 144 | N | 33.2 | Very low | 32.3 | Very low | 164 Ų | 164 | 152.5 Ų | 152.5 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | | | trans | -153.1 | 142.9 | 146.9 | -104.6 | -15.9 | 0 | 0 | 0 | 109.6 | T142 | T142-N144 PolarHBondContact O-N 2.76Š|
| 145 | E | 32.1 | Very low | 32.1 | Very low | 182 Ų | 182 | 152.8 Ų | 152.8 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | | | trans | -88.2 | 179.8 | -166 | -58.2 | 173.7 | 127.7 | 0 | 0 | 112.1 | | |
| 146 | S | 35.4 | Very low | 31.4 | Very low | 121 Ų | 121 | 156.6 Ų | 156.6 | 85% | 0.846 | 83% | 0.825 | S | S | * | * | | | trans | 64.3 | 115.6 | -177.4 | 72.9 | 0 | 0 | 0 | 0 | 114.5 | | |
| 147 | G | 28.6 | Very low | 31.1 | Very low | 69 Ų | 69 | 154.2 Ų | 154.2 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | | | cis | 101.2 | 98.3 | 12.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 148 | E | 27.4 | Very low | 30.6 | Very low | 166 Ų | 166 | 153 Ų | 153 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | | | trans | 60.2 | 99.9 | 163.5 | -51.4 | -164.5 | 175.6 | 0 | 0 | 118.8 | | |
| 149 | H | 30.7 | Very low | 30.2 | Very low | 204 Ų | 204 | 154.7 Ų | 154.7 | 94% | 0.944 | 82% | 0.815 | S | S | * | * | | | trans | -142.5 | 135.6 | 131.9 | -88.9 | -59.3 | 0 | 0 | 0 | 111.8 | | |
| 150 | K | 30.6 | Very low | 30 | Very low | 190 Ų | 190 | 152.6 Ų | 152.6 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | | | trans | -88.8 | 143.8 | -173.7 | -68.8 | 170.5 | -179.8 | 164.5 | 0 | 111.7 | S152 | K150-S152 PolarHBondContact O-N 2.71Š|
| 151 | S | 24.2 | Very low | 29.5 | Very low | 120 Ų | 120 | 155.7 Ų | 155.7 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | | | trans | 14 | 102.5 | 143.7 | -51.1 | 0 | 0 | 0 | 0 | 118.6 | | |
| 152 | S | 28.8 | Very low | 29.8 | Very low | 126 Ų | 126 | 154.8 Ų | 154.8 | 88% | 0.881 | 81% | 0.812 | S | S | * | * | | | | -169.4 | 138.6 | 112 | 50.3 | 0 | 0 | 0 | 0 | 110 | K150 | K150-S152 PolarHBondContact O-N 2.71Š|
| 153 | S | 25.2 | Very low | 29.4 | Very low | 97 Ų | 97 | 156.9 Ų | 156.9 | 68% | 0.678 | 81% | 0.812 | S | S | * | * | | | trans | -125.2 | 136.8 | -170.9 | 76.8 | 0 | 0 | 0 | 0 | 112 | | |
| 154 | K | 27.2 | Very low | 29.5 | Very low | 194 Ų | 194 | 156.8 Ų | 156.8 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | | | trans | 76.9 | 157.6 | 156.5 | -55 | 173 | 179.5 | 178.7 | 0 | 116.6 | | |
| 155 | P | 35.2 | Very low | 29.3 | Very low | 105 Ų | 105 | 157.3 Ų | 157.3 | 68% | 0.682 | 80% | 0.801 | S | S | * | * | | | | -139.8 | 140.7 | -62 | 35.7 | -19 | 0 | 0 | 0 | 112.8 | K157 | P155-K157 PolarHBondContact O-N 2.99Š|
| 156 | K | 29.5 | Very low | 29 | Very low | 222 Ų | 222 | 154.8 Ų | 154.8 | 97% | 0.965 | 79% | 0.792 | S | S | * | * | | | trans | -84.3 | 107.2 | 157.8 | -86.9 | -171.9 | 174.3 | -177.3 | 0 | 109.3 | | |
| 157 | K | 29.4 | Very low | 28.9 | Very low | 156 Ų | 156 | 157.7 Ų | 157.7 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | | | trans | -82.1 | 125.8 | 162.5 | -77.8 | 178.6 | 161.9 | -163.4 | 0 | 108.2 | P155 Y159 | P155-K157 PolarHBondContact O-N 2.99Å; K157-Y159 HydrophobicContact CB-CD2 4.43Å; K157-Y159 HydrophobicContact CB-CE2 4.34Å; K157-Y159 HydrophobicContact CD-CE2 3.92Å; K157-Y159 HydrophobicContact CG-CE2 4.14Å |
| 158 | Q | 28.5 | Very low | 28.8 | Very low | 192 Ų | 192 | 161.8 Ų | 161.8 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | | | trans | -136 | 106.7 | 152.8 | -157.4 | 164.1 | -7.4 | 0 | 0 | 106.5 | | |
| 159 | Y | 27.1 | Very low | 29 | Very low | 181 Ų | 181 | 161.6 Ų | 161.6 | 71% | 0.71 | 80% | 0.795 | S | S | * | * | | | trans | -77.8 | 138.5 | 170.7 | -75.5 | -107.5 | 0 | 0 | 0 | 106.8 | K157 | K157-Y159 HydrophobicContact CB-CD2 4.43Å; K157-Y159 HydrophobicContact CB-CE2 4.34Å; K157-Y159 HydrophobicContact CD-CE2 3.92Å; K157-Y159 HydrophobicContact CG-CE2 4.14Å |
| 160 | N | 28.7 | Very low | 28.9 | Very low | 147 Ų | 147 | 157.7 Ų | 157.7 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | | | trans | -120 | 119.2 | 159 | -163.2 | 29.8 | 0 | 0 | 0 | 106.8 | | |
| 161 | E | 27.1 | Very low | 29 | Very low | 169 Ų | 169 | 156.1 Ų | 156.1 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | | | trans | -83.9 | 121.4 | 177.2 | -68.3 | 168.2 | 148.3 | 0 | 0 | 107.7 | | |
| 162 | Q | 34.1 | Very low | 29.2 | Very low | 182 Ų | 182 | 155.6 Ų | 155.6 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | | | trans | -127.4 | 93.5 | 156.4 | -86 | -172.8 | -33.2 | 0 | 0 | 108.3 | | |
| 163 | E | 26.3 | Very low | 29.3 | Very low | 175 Ų | 175 | 155.2 Ų | 155.2 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -48.1 | 140.3 | 155.1 | -51.7 | 174.4 | 138.8 | 0 | 0 | 109.1 | | |
| 164 | N | 29.1 | Very low | 29.4 | Very low | 131 Ų | 131 | 157.9 Ų | 157.9 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | | | trans | -178.5 | 129.6 | 134.6 | -102.5 | -66.6 | 0 | 0 | 0 | 111.6 | | |
| 165 | K | 29.9 | Very low | 29.5 | Very low | 174 Ų | 174 | 156.3 Ų | 156.3 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | | | trans | 71.3 | 147.3 | 139.1 | -66.6 | 169.4 | -178.6 | 170.6 | 0 | 118.4 | | |
| 166 | I | 26.1 | Very low | 29 | Very low | 129 Ų | 129 | 158.1 Ų | 158.1 | 66% | 0.662 | 78% | 0.775 | S | S | * | * | | | cis | -175.5 | 157 | -26.5 | -120.4 | 174.8 | 0 | 0 | 0 | 105.1 | | |
| 167 | K | 33.1 | Very low | 28.9 | Very low | 183 Ų | 183 | 155.1 Ų | 155.1 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | | | trans | 69.6 | 119.8 | -179.8 | -65.4 | 148.9 | -170.6 | -170.1 | 0 | 113.5 | | |
| 168 | Q | 25.8 | Very low | 28.8 | Very low | 155 Ų | 155 | 154.5 Ų | 154.5 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | | | cis | 55.9 | 90.4 | 33 | -61.6 | -107 | -81.2 | 0 | 0 | 113 | | |
| 169 | N | 33.1 | Very low | 28.7 | Very low | 161 Ų | 161 | 151.1 Ų | 151.1 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | | | trans | -124.4 | 119.5 | 146.8 | -85.9 | -4.9 | 0 | 0 | 0 | 106.2 | | |
| 170 | D | 28.2 | Very low | 28.7 | Very low | 122 Ų | 122 | 150 Ų | 150 | 65% | 0.652 | 77% | 0.766 | S | S | * | * | | | trans | -86.1 | -160.5 | 173.2 | -60.6 | -67 | 0 | 0 | 0 | 110.9 | | |
| 171 | I | 32.8 | Very low | 28.7 | Very low | 157 Ų | 157 | 148.9 Ų | 148.9 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | | | trans | 83 | 90.1 | 175.5 | -49.7 | 159.2 | 0 | 0 | 0 | 111.5 | | |
| 172 | S | 27.4 | Very low | 29.1 | Very low | 109 Ų | 109 | 144.4 Ų | 144.4 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | | | | 54.8 | 112.5 | 64 | -58 | 0 | 0 | 0 | 0 | 114.9 | | |
| 173 | S | 31.1 | Very low | 28.9 | Very low | 119 Ų | 119 | 142.8 Ų | 142.8 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | | | | 174.6 | 113.8 | 126.9 | -75.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 174 | D | 27.9 | Very low | 29.2 | Very low | 152 Ų | 152 | 143.2 Ų | 143.2 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | | | trans | -64.6 | 139 | 150.5 | -67.2 | -60.7 | 0 | 0 | 0 | 108.5 | | |
| 175 | H | 27.9 | Very low | 29.1 | Very low | 161 Ų | 161 | 146.2 Ų | 146.2 | 75% | 0.745 | 77% | 0.771 | S | S | * | * | | | trans | -175.1 | 136.1 | 140.7 | -96.8 | -37.2 | 0 | 0 | 0 | 114.1 | | |
| 176 | Q | 26 | Very low | 29.4 | Very low | 144 Ų | 144 | 144.2 Ų | 144.2 | 67% | 0.673 | 77% | 0.773 | S | S | * | * | | | trans | 61.6 | 109 | 140.3 | -59.5 | 171.2 | 46 | 0 | 0 | 117.2 | | |
| 177 | L | 26.8 | Very low | 29.6 | Very low | 159 Ų | 159 | 144.2 Ų | 144.2 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | | | | 52.8 | 95.1 | 81.7 | -68.8 | -179.4 | 0 | 0 | 0 | 113 | | |
| 178 | N | 27.6 | Very low | 29.5 | Very low | 143 Ų | 143 | 144.2 Ų | 144.2 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | | | trans | 172.9 | 149.2 | 162.2 | -84.2 | -31.2 | 0 | 0 | 0 | 105.1 | | |
| 179 | N | 25.5 | Very low | 29.5 | Very low | 120 Ų | 120 | 145.5 Ų | 145.5 | 64% | 0.642 | 78% | 0.783 | S | S | * | * | | | cis | -169 | 146.9 | -13.9 | -111.3 | -19.1 | 0 | 0 | 0 | 108.8 | | |
| 180 | L | 27.2 | Very low | 29.5 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | | | trans | 69.1 | 160.7 | 147.6 | -58.2 | 165.8 | 0 | 0 | 0 | 121.1 | | |
| 181 | S | 30.4 | Very low | 29.6 | Very low | 124 Ų | 124 | 145.6 Ų | 145.6 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | | | trans | 68.1 | 127.5 | -179.8 | -79 | 0 | 0 | 0 | 0 | 117.3 | | |
| 182 | A | 34.2 | Very low | 29.5 | Very low | 76 Ų | 76 | 143.4 Ų | 143.4 | 63% | 0.628 | 78% | 0.778 | S | S | * | * | | | cis | -156.1 | 172.4 | -1.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 183 | D | 30.7 | Very low | 29.6 | Very low | 147 Ų | 147 | 147.9 Ų | 147.9 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | | | trans | 65.5 | 96.5 | 164.3 | -44.8 | -25.3 | 0 | 0 | 0 | 116.9 | | |
| 184 | E | 31.6 | Very low | 29.9 | Very low | 185 Ų | 185 | 148.2 Ų | 148.2 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | | | | 52.7 | 90.1 | 86.1 | -67.1 | -164.3 | 154.8 | 0 | 0 | 113.5 | | |
| 185 | E | 27.8 | Very low | 30 | Very low | 193 Ų | 193 | 146.6 Ų | 146.6 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | | | | 49.1 | 88.5 | 89.6 | -73.7 | -145.4 | 147.3 | 0 | 0 | 116.7 | | |
| 186 | V | 34.9 | Very low | 30 | Very low | 133 Ų | 133 | 148.4 Ų | 148.4 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | | | trans | -140.8 | 107 | 145.6 | -178.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 187 | T | 32.1 | Very low | 30.4 | Very low | 129 Ų | 129 | 147.7 Ų | 147.7 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | | | trans | 28 | 120.9 | 156 | 55.7 | 0 | 0 | 0 | 0 | 123.4 | | |
| 188 | K | 30.2 | Very low | 30.6 | Very low | 183 Ų | 183 | 148.8 Ų | 148.8 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | | | trans | -25.6 | 155.1 | 140.8 | -68.2 | 172.8 | 177.8 | 173 | 0 | 117.7 | | |
| 189 | F | 26.8 | Very low | 30.8 | Very low | 182 Ų | 182 | 147.5 Ų | 147.5 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | | | trans | 40.2 | 137.2 | 138.4 | -70.4 | -115.1 | 0 | 0 | 0 | 118.5 | | |
| 190 | D | 31.2 | Very low | 31.2 | Very low | 131 Ų | 131 | 149.9 Ų | 149.9 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | | | cis | -156.4 | 164.9 | 26.8 | -136.1 | -30.9 | 0 | 0 | 0 | 112.3 | P192 | D190-P192 WeakPolarHBondContact O-CD 3.5Š|
| 191 | I | 31.7 | Very low | 31.3 | Very low | 153 Ų | 153 | 146.8 Ų | 146.8 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 120.7 | -174.9 | -64.2 | 163.6 | 0 | 0 | 0 | 111.2 | | |
| 192 | P | 31.2 | Very low | 31.5 | Very low | 112 Ų | 112 | 148.9 Ų | 148.9 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 133.7 | 169.2 | -11.7 | 27.6 | 0 | 0 | 0 | 110.5 | D190 | D190-P192 WeakPolarHBondContact O-CD 3.5Š|
| 193 | K | 29.6 | Very low | 31.3 | Very low | 202 Ų | 202 | 150.4 Ų | 150.4 | 88% | 0.878 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 144.2 | 168.9 | -102.4 | 175 | 178.6 | 169.8 | 0 | 110.5 | | |
| 194 | P | 36.2 | Very low | 31.6 | Very low | 126 Ų | 126 | 149.4 Ų | 149.4 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 142.2 | -166.1 | -17.9 | 32.3 | 0 | 0 | 0 | 113.7 | | |
| 195 | S | 30.4 | Very low | 31.7 | Very low | 118 Ų | 118 | 146.3 Ų | 146.3 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 168.6 | 169 | 46.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 196 | K | 28.7 | Very low | 31.8 | Very low | 200 Ų | 200 | 142.4 Ų | 142.4 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 150.7 | -174.1 | -65.9 | 170.6 | 178.1 | 173.7 | 0 | 113.1 | | |
| 197 | P | 33.7 | Very low | 31.6 | Very low | 129 Ų | 129 | 142.2 Ų | 142.2 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 163.6 | 167.1 | 35.3 | -35.1 | 0 | 0 | 0 | 112.6 | | |
| 198 | E | 31.7 | Very low | 31.6 | Very low | 181 Ų | 181 | 142.7 Ų | 142.7 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | | | trans | -112.2 | 131.1 | -170.1 | -166.3 | 170.7 | -163.6 | 0 | 0 | 112.9 | | |
| 199 | V | 30.5 | Very low | 31.7 | Very low | 117 Ų | 117 | 139.7 Ų | 139.7 | 71% | 0.709 | 78% | 0.783 | S | S | * | * | | | trans | 37.8 | 116.1 | 151.5 | -174.7 | 0 | 0 | 0 | 0 | 120.5 | | |
| 200 | I | 33.9 | Very low | 32 | Very low | 170 Ų | 170 | 138.3 Ų | 138.3 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | | | trans | -127 | 134.8 | 141.7 | -62.3 | 179.6 | 0 | 0 | 0 | 107.6 | | |
| 201 | P | 30.8 | Very low | 32.3 | Very low | 92 Ų | 92 | 137.3 Ų | 137.3 | 60% | 0.597 | 78% | 0.783 | S | S | * | * | | | trans | -101.7 | 157.6 | -172.5 | 38.3 | -35.8 | 0 | 0 | 0 | 116 | | |
| 202 | N | 33.9 | Very low | 32.5 | Very low | 167 Ų | 167 | 140 Ų | 140 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | | | trans | 84.4 | 141.4 | 153.3 | -58.4 | -23.5 | 0 | 0 | 0 | 120.9 | | |
| 203 | S | 29.4 | Very low | 32.5 | Very low | 108 Ų | 108 | 145.1 Ų | 145.1 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | | | trans | -121.3 | 165.2 | -155.5 | 55.2 | 0 | 0 | 0 | 0 | 114.2 | | |
| 204 | P | 36.4 | Very low | 32.5 | Very low | 126 Ų | 126 | 143.9 Ų | 143.9 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | | -143.8 | 173.4 | 106.1 | 36 | -19.9 | 0 | 0 | 0 | 115.7 | | |
| 205 | P | 34 | Very low | 32.5 | Very low | 120 Ų | 120 | 144.9 Ų | 144.9 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | | | trans | -121 | 167.4 | -162.4 | 41.8 | -31 | 0 | 0 | 0 | 117.1 | | |
| 206 | S | 31.6 | Very low | 32.4 | Very low | 111 Ų | 111 | 147.7 Ų | 147.7 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | trans | -172 | 124.9 | 141.6 | 30.2 | 0 | 0 | 0 | 0 | 115.1 | | |
| 207 | V | 30.3 | Very low | 32.6 | Very low | 130 Ų | 130 | 147.8 Ų | 147.8 | 79% | 0.788 | 79% | 0.786 | S | S | * | * | | | trans | 47.1 | 122.1 | 130.1 | -167.5 | 0 | 0 | 0 | 0 | 117.9 | | |
| 208 | L | 31.2 | Very low | 32.4 | Very low | 138 Ų | 138 | 149.8 Ų | 149.8 | 72% | 0.723 | 79% | 0.79 | S | S | * | * | | | | -170.5 | 150.7 | 56.5 | -167.5 | 54.1 | 0 | 0 | 0 | 114.3 | | |
| 209 | D | 33.4 | Very low | 32.6 | Very low | 120 Ų | 120 | 152.2 Ų | 152.2 | 64% | 0.642 | 79% | 0.791 | S | S | * | * | | | trans | 48.5 | 129.6 | 160.7 | -61 | -16.5 | 0 | 0 | 0 | 123.9 | | |
| 210 | I | 31.4 | Very low | 32.7 | Very low | 153 Ų | 153 | 154.8 Ų | 154.8 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | | | cis | 113.6 | 137.1 | 23.4 | -75.2 | 172.2 | 0 | 0 | 0 | 111.8 | | |
| 211 | P | 39 | Very low | 32.5 | Very low | 110 Ų | 110 | 152.2 Ų | 152.2 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | | | | -127.1 | -172.2 | -113.9 | 44.6 | -36.4 | 0 | 0 | 0 | 115.8 | | |
| 212 | K | 35 | Very low | 32.4 | Very low | 210 Ų | 210 | 156.3 Ų | 156.3 | 91% | 0.913 | 80% | 0.804 | S | S | * | * | | | trans | -112.4 | 112.4 | 164 | -73.9 | -176.5 | 177.4 | 178.6 | 0 | 110.9 | | |
| 213 | R | 31.8 | Very low | 32.4 | Very low | 219 Ų | 219 | 156.8 Ų | 156.8 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | | | trans | -68.4 | 140 | 174.9 | -87.9 | -179.2 | 161.6 | -177.3 | -7 | 111.8 | | |
| 214 | L | 28.5 | Very low | 32.4 | Very low | 176 Ų | 176 | 160.5 Ų | 160.5 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | | | trans | -139.9 | 108.5 | 152.9 | -171.9 | 74.2 | 0 | 0 | 0 | 106.5 | | |
| 215 | E | 36.1 | Very low | 32.6 | Very low | 148 Ų | 148 | 161.8 Ų | 161.8 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | | | trans | -128.8 | 146.8 | 173.8 | -78.9 | -173.8 | 161.4 | 0 | 0 | 109.5 | | |
| 216 | Q | 30.1 | Very low | 32.5 | Very low | 176 Ų | 176 | 163.7 Ų | 163.7 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | | | trans | -65.1 | 163.4 | 175 | -61.3 | 159.2 | -97.1 | 0 | 0 | 111.1 | | |
| 217 | Y | 31.9 | Very low | 32.4 | Very low | 203 Ų | 203 | 167 Ų | 167 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | | | | -173.4 | 95.8 | 123.1 | -88.8 | -58.3 | 0 | 0 | 0 | 110.3 | | |
| 218 | D | 30.3 | Very low | 32.9 | Very low | 171 Ų | 171 | 165.5 Ų | 165.5 | 91% | 0.914 | 80% | 0.799 | S | S | * | * | | | trans | -87.8 | 111.7 | 158.5 | -87 | -48.1 | 0 | 0 | 0 | 108.9 | | |
| 219 | R | 36 | Very low | 33 | Very low | 231 Ų | 231 | 165.1 Ų | 165.1 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | | | trans | -138.6 | 132.7 | 165 | -85.3 | -169.3 | 174.2 | 178.9 | -0.6 | 111 | | |
| 220 | I | 31.2 | Very low | 33.1 | Very low | 171 Ų | 171 | 167.2 Ų | 167.2 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | | | trans | -85.7 | 134.7 | -172 | -57.2 | 142 | 0 | 0 | 0 | 110.2 | | |
| 221 | S | 31.1 | Very low | 33 | Very low | 116 Ų | 116 | 165.3 Ų | 165.3 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | | | trans | -162.7 | 161.7 | 146.6 | -160.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 222 | K | 28.4 | Very low | 32.4 | Very low | 178 Ų | 178 | 170.4 Ų | 170.4 | 77% | 0.774 | 81% | 0.808 | S | S | * | * | | | trans | -117.7 | 134.9 | -170.9 | -54.4 | -179.4 | 179.7 | -175.7 | 0 | 112.2 | | |
| 223 | H | 34.2 | Very low | 32.4 | Very low | 178 Ų | 178 | 169.2 Ų | 169.2 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | | | trans | -152.5 | 113.2 | 147.6 | -82.1 | -84.5 | 0 | 0 | 0 | 105.9 | | |
| 224 | K | 29.4 | Very low | 32.2 | Very low | 186 Ų | 186 | 168 Ų | 168 | 81% | 0.809 | 81% | 0.807 | S | S | * | * | | | | 57.6 | 102.6 | 79.5 | -80.3 | -164.5 | 175.8 | -174.1 | 0 | 113.6 | | |
| 225 | D | 40 | Very low | 32.3 | Very low | 153 Ų | 153 | 165.6 Ų | 165.6 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | 178.8 | 147.1 | 144.2 | -82.6 | -25.6 | 0 | 0 | 0 | 105.8 | | |
| 226 | L | 31.3 | Very low | 32.2 | Very low | 159 Ų | 159 | 164.7 Ų | 164.7 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | | | cis | -165.3 | 156 | -31.4 | -113 | 164.1 | 0 | 0 | 0 | 104.1 | | |
| 227 | K | 29.6 | Very low | 32.4 | Very low | 181 Ų | 181 | 163.9 Ų | 163.9 | 79% | 0.787 | 81% | 0.806 | S | S | * | * | | | trans | -75.7 | -171.9 | -177.6 | -83.3 | -161 | 176.3 | -165.3 | 0 | 112.5 | | |
| 228 | P | 41.8 | Very low | 32.3 | Very low | 98 Ų | 98 | 161.8 Ų | 161.8 | 64% | 0.636 | 81% | 0.808 | S | S | * | * | | | cis | -141.2 | 173.1 | 5.8 | 18.4 | 10.2 | 0 | 0 | 0 | 118.7 | | |
| 229 | D | 31.8 | Very low | 32.7 | Very low | 131 Ų | 131 | 163.6 Ų | 163.6 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | | | trans | 53.9 | 154.6 | 138.3 | -52 | -16.6 | 0 | 0 | 0 | 120.5 | | |
| 230 | I | 35.5 | Very low | 32.3 | Very low | 164 Ų | 164 | 161 Ų | 161 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | | | cis | -138.4 | 146.5 | 36 | -71.3 | 170.1 | 0 | 0 | 0 | 114.6 | | |
| 231 | T | 29.9 | Very low | 32.4 | Very low | 112 Ų | 112 | 158.1 Ų | 158.1 | 69% | 0.687 | 81% | 0.805 | S | S | * | * | | | trans | -50.4 | 136.8 | 175.5 | -56.7 | 0 | 0 | 0 | 0 | 118.2 | | |
| 232 | R | 26.7 | Very low | 32.4 | Very low | 217 Ų | 217 | 159.7 Ų | 159.7 | 82% | 0.819 | 80% | 0.799 | S | S | * | * | | | trans | 5.1 | 140.2 | 140.5 | -46.3 | 170.3 | 174.7 | -145.4 | -3.7 | 118.3 | | |
| 233 | Q | 34.2 | Very low | 32.6 | Very low | 185 Ų | 185 | 161.6 Ų | 161.6 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | | | | -141.2 | 145.9 | 128.6 | -73.2 | -150.9 | 10.2 | 0 | 0 | 111.5 | | |
| 234 | F | 27.6 | Very low | 33 | Very low | 194 Ų | 194 | 157.8 Ų | 157.8 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | | | trans | -126.1 | 136.6 | 169.3 | -87.1 | -92.7 | 0 | 0 | 0 | 106.8 | | |
| 235 | T | 31.4 | Very low | 33.3 | Very low | 126 Ų | 126 | 156.6 Ų | 156.6 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | | | trans | -159.6 | 131.6 | 155.2 | 9.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 236 | T | 33.5 | Very low | 32.9 | Very low | 129 Ų | 129 | 157.2 Ų | 157.2 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | | | trans | -111.4 | 128.5 | 174.7 | 44.2 | 0 | 0 | 0 | 0 | 108 | | |
| 237 | D | 33.8 | Very low | 33.2 | Very low | 159 Ų | 159 | 157.4 Ų | 157.4 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | | | trans | -130.9 | 113 | 171.2 | -86.3 | -51.7 | 0 | 0 | 0 | 110.1 | | |
| 238 | D | 31.3 | Very low | 33.3 | Very low | 158 Ų | 158 | 156 Ų | 156 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | | | trans | -85.4 | 122.1 | 171 | -70.1 | -52.7 | 0 | 0 | 0 | 110.1 | | |
| 239 | K | 37.2 | Very low | 32.8 | Very low | 210 Ų | 210 | 160.9 Ų | 160.9 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | | | trans | -144.9 | 154.3 | 157.3 | -76.4 | -153.9 | 176.4 | -177.4 | 0 | 114.1 | | |
| 240 | I | 28.9 | Very low | 32.6 | Very low | 175 Ų | 175 | 161.6 Ų | 161.6 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | | | trans | -108.4 | 128.1 | -159 | -65 | 155.9 | 0 | 0 | 0 | 111.3 | | |
| 241 | S | 31.9 | Very low | 32.6 | Very low | 111 Ų | 111 | 159.9 Ų | 159.9 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | | | trans | -174.9 | 154.2 | 165.7 | 53.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 242 | E | 32.9 | Very low | 32.6 | Very low | 149 Ų | 149 | 162.4 Ų | 162.4 | 70% | 0.696 | 80% | 0.8 | S | S | * | * | | | cis | -153.6 | 139.2 | -31.4 | -126.3 | -139.7 | 140.7 | 0 | 0 | 112.1 | | |
| 243 | R | 31.5 | Very low | 32.8 | Very low | 218 Ų | 218 | 157.9 Ų | 157.9 | 82% | 0.823 | 80% | 0.797 | S | S | * | * | | | trans | 65.4 | 163.7 | 143.8 | -82.3 | -165.6 | 174.8 | 171.9 | 0.5 | 122.6 | | |
| 244 | P | 43 | Very low | 32.7 | Very low | 98 Ų | 98 | 154.8 Ų | 154.8 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | | | trans | -131.9 | 170.8 | -143.8 | 44.8 | -30.1 | 0 | 0 | 0 | 117 | | |
| 245 | N | 36.2 | Very low | 32.7 | Very low | 162 Ų | 162 | 155.3 Ų | 155.3 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | | | trans | -153.7 | 127.2 | 147.1 | -81.6 | -42.1 | 0 | 0 | 0 | 105.8 | | |
| 246 | K | 31.8 | Very low | 32.8 | Very low | 165 Ų | 165 | 157.4 Ų | 157.4 | 72% | 0.717 | 80% | 0.798 | S | S | * | * | | | cis | 87.3 | 52.7 | 23.3 | -149.7 | -179.7 | -174.7 | 179.8 | 0 | 115.9 | | |
| 247 | D | 37 | Very low | 32.7 | Very low | 163 Ų | 163 | 158.6 Ų | 158.6 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | | | trans | -96.1 | 130.8 | 153 | -71.5 | -45.6 | 0 | 0 | 0 | 110.5 | | |
| 248 | H | 31.2 | Very low | 32.8 | Very low | 152 Ų | 152 | 159.8 Ų | 159.8 | 70% | 0.704 | 80% | 0.795 | S | S | * | * | | | trans | -99.6 | 140.6 | 162.7 | -70.5 | 13 | 0 | 0 | 0 | 107.5 | | |
| 249 | F | 31.9 | Very low | 33.3 | Very low | 201 Ų | 201 | 159.6 Ų | 159.6 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | | | | -166.3 | 145 | 125.4 | -122 | -90.1 | 0 | 0 | 0 | 111.6 | | |
| 250 | N | 27.2 | Very low | 33.3 | Very low | 146 Ų | 146 | 158.4 Ų | 158.4 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | | | trans | -85.4 | 141.5 | 168 | -89.5 | -39.2 | 0 | 0 | 0 | 109.5 | | |
| 251 | D | 35.5 | Very low | 33.9 | Very low | 128 Ų | 128 | 161 Ų | 161 | 68% | 0.684 | 79% | 0.787 | S | S | * | * | | | trans | -164.2 | 112.2 | 137.6 | -98.6 | -34.1 | 0 | 0 | 0 | 108.2 | | |
| 252 | Q | 30 | Very low | 34.1 | Very low | 164 Ų | 164 | 164.2 Ų | 164.2 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | | | | 76.7 | 109.2 | 94.1 | -81.7 | -164.2 | 80.7 | 0 | 0 | 116.1 | | |
| 253 | V | 29.9 | Very low | 34.3 | Very low | 122 Ų | 122 | 168.8 Ų | 168.8 | 74% | 0.739 | 80% | 0.8 | S | S | * | * | | | trans | 56.5 | 103.3 | 137.1 | -167.4 | 0 | 0 | 0 | 0 | 118 | | |
| 254 | S | 33.8 | Very low | 34.6 | Very low | 120 Ų | 120 | 166.9 Ų | 166.9 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | | | | -165.2 | 151.3 | 111 | -86.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 255 | K | 27.3 | Very low | 34.5 | Very low | 205 Ų | 205 | 167.6 Ų | 167.6 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | | | trans | -88.2 | 135.7 | -176.2 | -58.7 | 165.2 | -179 | 171.5 | 0 | 109.8 | | |
| 256 | Q | 32.3 | Very low | 34.7 | Very low | 170 Ų | 170 | 165.5 Ų | 165.5 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | | | trans | -148 | 122.7 | 152.6 | -135.8 | -180 | -33.8 | 0 | 0 | 114.3 | | |
| 257 | E | 33 | Very low | 35.2 | Very low | 155 Ų | 155 | 163.2 Ų | 163.2 | 72% | 0.724 | 80% | 0.802 | S | S | * | * | | | trans | 43.5 | 91.8 | 150.2 | -68 | 172.2 | 116.5 | 0 | 0 | 120 | L259 | E257-L259 PolarHBondContact O-N 3.38Å; E257-L259 VanDerWaalsContact O-N 3.08Å |
| 258 | E | 35.1 | Very low | 35.2 | Very low | 183 Ų | 183 | 161.3 Ų | 161.3 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | | | trans | -69.4 | 94.7 | 163.7 | -170.3 | 178.3 | -150.2 | 0 | 0 | 111.3 | K260 | E258-K260 PolarHBondContact O-N 2.76Š|
| 259 | L | 41.3 | Very low | 35.4 | Very low | 155 Ų | 155 | 161 Ų | 161 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | | | trans | -61.9 | 101.5 | 172.1 | -85 | 161.8 | 0 | 0 | 0 | 111.2 | E257 R261 | E257-L259 PolarHBondContact O-N 3.38Å; E257-L259 VanDerWaalsContact O-N 3.08Å; L259-R261 VanDerWaalsContact C-N 3.34Å; L259-R261 PolarHBondContact O-N 2.88Å |
| 260 | K | 38 | Very low | 35.6 | Very low | 185 Ų | 185 | 159.6 Ų | 159.6 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -62.2 | 89.6 | 171.8 | -75.7 | -177.7 | 177.8 | 175.5 | 0 | 111.3 | E258 H262 | E258-K260 PolarHBondContact O-N 2.76Å; K260-H262 PolarHBondContact O-N 2.81Å |
| 261 | R | 40.4 | Very low | 36 | Very low | 230 Ų | 230 | 160.7 Ų | 160.7 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | | | trans | -64.9 | 114.3 | 170.7 | -69.8 | 176.7 | 175.1 | -103.5 | 0.1 | 109.6 | L259 R263 | L259-R261 VanDerWaalsContact C-N 3.34Å; L259-R261 PolarHBondContact O-N 2.88Å; R261-R263 PolarHBondContact O-N 2.98Å |
| 262 | H | 36.2 | Very low | 35.9 | Very low | 178 Ų | 178 | 163.1 Ų | 163.1 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 118.1 | 168.9 | -76.1 | -88.6 | 0 | 0 | 0 | 109.6 | K260 H264 | K260-H262 PolarHBondContact O-N 2.81Å; H262-H264 PolarHBondContact O-N 3.39Å |
| 263 | R | 37.6 | Very low | 35.9 | Very low | 245 Ų | 245 | 165.1 Ų | 165.1 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 117.5 | 173.3 | -70.2 | 177.9 | 175 | 163.6 | -2.1 | 108.6 | R261 | R261-R263 PolarHBondContact O-N 2.98Š|
| 264 | H | 38.5 | Very low | 36 | Very low | 178 Ų | 178 | 164.4 Ų | 164.4 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 137.5 | 167.6 | -72.6 | -83.3 | 0 | 0 | 0 | 109.8 | H262 | H262-H264 PolarHBondContact O-N 3.39Š|
| 265 | P | 41 | Very low | 35.8 | Very low | 113 Ų | 113 | 164.7 Ų | 164.7 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 147.2 | 171.8 | 27.9 | -33.5 | 0 | 0 | 0 | 110.7 | | |
| 266 | P | 40.3 | Very low | 36.1 | Very low | 118 Ų | 118 | 160.5 Ų | 160.5 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 151.5 | -172.5 | 27.9 | -35.1 | 0 | 0 | 0 | 113.2 | | |
| 267 | P | 41.5 | Very low | 36 | Very low | 116 Ų | 116 | 160.7 Ų | 160.7 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 155.2 | -177.6 | 28.9 | -35.1 | 0 | 0 | 0 | 113.3 | | |
| 268 | P | 37.8 | Very low | 35.9 | Very low | 123 Ų | 123 | 159.2 Ų | 159.2 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 142.7 | -175.5 | -19.4 | 32.8 | 0 | 0 | 0 | 113.7 | | |
| 269 | L | 35.9 | Very low | 35.8 | Very low | 146 Ų | 146 | 159.1 Ų | 159.1 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 136.3 | 177.9 | -106.3 | 79.1 | 0 | 0 | 0 | 112.6 | H271 | L269-H271 PolarHBondContact O-N 3.41Š|
| 270 | H | 34.3 | Very low | 35.5 | Very low | 172 Ų | 172 | 159.6 Ų | 159.6 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | | | trans | -74.1 | 112.3 | 166 | -85.7 | 0.7 | 0 | 0 | 0 | 110.7 | | |
| 271 | H | 36.3 | Very low | 35.1 | Very low | 168 Ų | 168 | 157.9 Ų | 157.9 | 78% | 0.778 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 121.3 | 164 | -73 | -65.6 | 0 | 0 | 0 | 110.3 | L269 | L269-H271 PolarHBondContact O-N 3.41Š|
| 272 | H | 34.5 | Very low | 34.7 | Very low | 179 Ų | 179 | 156 Ų | 156 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 142.7 | 180 | -73.6 | -107.2 | 0 | 0 | 0 | 111.2 | | |
| 273 | K | 29.3 | Very low | 34.7 | Very low | 207 Ų | 207 | 156.3 Ų | 156.3 | 90% | 0.9 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 118.8 | 178 | -63.6 | 174.9 | 179 | 177.9 | 0 | 110.2 | | |
| 274 | S | 30.8 | Very low | 34.5 | Very low | 107 Ų | 107 | 153.8 Ų | 153.8 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 119.2 | 166.3 | 53.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 275 | P | 30.3 | Very low | 34.1 | Very low | 125 Ų | 125 | 152.4 Ų | 152.4 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | | | trans | -100.5 | 111.3 | -179.5 | 34.7 | -27.8 | 0 | 0 | 0 | 111.9 | | |
| 276 | T | 32.8 | Very low | 33.7 | Very low | 118 Ų | 118 | 152.8 Ų | 152.8 | 72% | 0.724 | 80% | 0.796 | S | S | * | * | | | trans | -150 | 122.8 | 168.5 | -16.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 277 | K | 30.2 | Very low | 33.6 | Very low | 174 Ų | 174 | 152.9 Ų | 152.9 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | | | trans | 27.7 | 150.4 | 133.5 | -54.1 | -172.2 | 178 | -172.3 | 0 | 120.2 | | |
| 278 | D | 31.2 | Very low | 33.1 | Very low | 123 Ų | 123 | 154.6 Ų | 154.6 | 66% | 0.658 | 80% | 0.797 | S | S | * | * | | | cis | -169.4 | 147.1 | -17 | -91.4 | -32.6 | 0 | 0 | 0 | 103.7 | | |
| 279 | E | 33.9 | Very low | 32.8 | Very low | 182 Ų | 182 | 154.1 Ų | 154.1 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | | | trans | 61.5 | 158.3 | 159.5 | -63.1 | 173.9 | -174.7 | 0 | 0 | 119.8 | | |
| 280 | I | 35 | Very low | 32.8 | Very low | 164 Ų | 164 | 152 Ų | 152 | 84% | 0.841 | 78% | 0.783 | S | S | * | * | | | trans | 83.8 | 55.3 | -179.3 | -40.4 | 161.8 | 0 | 0 | 0 | 115.9 | | |
| 281 | L | 29.9 | Very low | 32.9 | Very low | 150 Ų | 150 | 151 Ų | 151 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | | | trans | -153.9 | 23.1 | 135.4 | -142.9 | 68.9 | 0 | 0 | 0 | 115.8 | K283 | L281-K283 PolarHBondContact O-N 3.03Š|
| 282 | E | 32 | Very low | 32.9 | Very low | 190 Ų | 190 | 151.8 Ų | 151.8 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 81.2 | 163.3 | -79 | -133.2 | 155.7 | 0 | 0 | 110.5 | | |
| 283 | K | 36.8 | Very low | 33.1 | Very low | 185 Ų | 185 | 154.4 Ų | 154.4 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151.2 | 3.2 | 162.4 | -127.8 | 172.5 | -174.5 | 179.3 | 0 | 117 | L281 | L281-K283 PolarHBondContact O-N 3.03Š|
| 284 | F | 32.1 | Very low | 33.5 | Very low | 192 Ų | 192 | 149.2 Ų | 149.2 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -134.1 | 22.6 | -179.8 | -74 | -72.8 | 0 | 0 | 0 | 115 | | |
| 285 | I | 30.6 | Very low | 34 | Very low | 148 Ų | 148 | 155.2 Ų | 155.2 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | | | trans | -103.1 | 66.5 | 164.4 | -48.2 | -178.8 | 0 | 0 | 0 | 108.4 | T287 | I285-T287 PolarHBondContact O-N 2.96Š|
| 286 | S | 32.9 | Very low | 34.7 | Very low | 122 Ų | 122 | 155.6 Ų | 155.6 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | | | trans | -77.9 | 103.4 | 160.6 | 177.6 | 0 | 0 | 0 | 0 | 107.3 | | |
| 287 | T | 37.1 | Very low | 35.5 | Very low | 119 Ų | 119 | 152 Ų | 152 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | | | trans | -15.5 | 128.2 | 174.7 | -47.5 | 0 | 0 | 0 | 0 | 116.4 | I285 D289 | I285-T287 PolarHBondContact O-N 2.96Å; T287-D289 PolarHBondContact O-N 3.31Å |
| 288 | D | 30.9 | Very low | 37.1 | Very low | 152 Ų | 152 | 150 Ų | 150 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | | | trans | -53.9 | 105.4 | 164.7 | -64 | -74.3 | 0 | 0 | 0 | 111.7 | P290 | D288-P290 VanDerWaalsContact C-CD 3.48Å; D288-P290 VanDerWaalsContact O-CD 3.29Å; D288-P290 WeakPolarHBondContact O-CD 3.35Å |
| 289 | D | 32.7 | Very low | 38.9 | Very low | 114 Ų | 114 | 149 Ų | 149 | 61% | 0.61 | 76% | 0.758 | S | S | * | * | | | trans | -104.7 | 89.9 | 153.6 | -172.6 | -5.9 | 0 | 0 | 0 | 109.2 | T287 H291 | T287-D289 PolarHBondContact O-N 3.31Å; D289-H291 PolarHBondContact O-N 2.94Å; D289-H291 VanDerWaalsContact O-N 3.11Å; D289-H291 WeakPolarHBondContact OD1-CA 3.17Å; D289-H291 WeakPolarHBondContact OD1-CB 3.25Å; D289-H291 PolarHBondContact OD1-N 3.12Å |
| 290 | P | 35.2 | Very low | 40.8 | Very low | 102 Ų | 102 | 143.6 Ų | 143.6 | 66% | 0.662 | 74% | 0.741 | S | S | * | * | | | trans | -72.6 | 5.7 | 177.2 | 31.2 | -35.1 | 0 | 0 | 0 | 113.2 | D288 | D288-P290 VanDerWaalsContact C-CD 3.48Å; D288-P290 VanDerWaalsContact O-CD 3.29Å; D288-P290 WeakPolarHBondContact O-CD 3.35Å |
| 291 | H | 35.9 | Very low | 42.1 | Very low | 150 Ų | 150 | 142.9 Ų | 142.9 | 69% | 0.694 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -112.2 | 41.9 | -171.4 | -67.3 | -59.9 | 0 | 0 | 0 | 115.4 | D289 | D289-H291 PolarHBondContact O-N 2.94Å; D289-H291 VanDerWaalsContact O-N 3.11Å; D289-H291 WeakPolarHBondContact OD1-CA 3.17Å; D289-H291 WeakPolarHBondContact OD1-CB 3.25Å; D289-H291 PolarHBondContact OD1-N 3.12Å |
| 292 | K | 37.6 | Very low | 44.3 | Very low | 185 Ų | 185 | 139.1 Ų | 139.1 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | | | trans | -163.8 | 62 | 149.4 | -96.6 | 135.3 | -161.6 | 173.5 | 0 | 113.2 | S294 | K292-S294 PolarHBondContact O-N 2.95Š|
| 293 | R | 37.1 | Very low | 46.4 | Very low | 234 Ų | 234 | 135.6 Ų | 135.6 | 88% | 0.883 | 70% | 0.704 | S | S | * | * | | | trans | -69.5 | 94.1 | 148.3 | -159.2 | 171.9 | -163.6 | 164.5 | 6 | 106.5 | Y295 | R293-Y295 PolarHBondContact O-N 2.97Š|
| 294 | S | 38.2 | Very low | 48.3 | Very low | 98 Ų | 98 | 130.6 Ų | 130.6 | 69% | 0.685 | 68% | 0.682 | S | S | * | * | | | trans | -52.5 | 114.3 | 174.7 | 38.7 | 0 | 0 | 0 | 0 | 108 | K292 D296 | K292-S294 PolarHBondContact O-N 2.95Å; S294-D296 PolarHBondContact O-N 3.2Å |
| 295 | Y | 42.1 | Very low | 50.1 | Low | 233 Ų | 233 | 127.8 Ų | 127.8 | 91% | 0.914 | 67% | 0.666 | S | S | * | * | | | trans | -69.2 | 80.9 | 165.2 | -77.3 | -92.4 | 0 | 0 | 0 | 106.8 | R293 G297 | R293-Y295 PolarHBondContact O-N 2.97Å; Y295-G297 PolarHBondContact O-N 2.93Å |
| 296 | D | 45.3 | Very low | 52.1 | Low | 132 Ų | 132 | 130.2 Ų | 130.2 | 71% | 0.706 | 67% | 0.666 | S | S | * | * | | | trans | -63.9 | 87.8 | 157.1 | -127.5 | -9.2 | 0 | 0 | 0 | 105 | S294 | S294-D296 PolarHBondContact O-N 3.2Š|
| 297 | G | 48.6 | Very low | 53.9 | Low | 42 Ų | 42 | 125.8 Ų | 125.8 | 43% | 0.433 | 64% | 0.635 | S | S | . | * | | | trans | -56.7 | 166.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y295 M299 | Y295-G297 PolarHBondContact O-N 2.93Å; G297-M299 PolarHBondContact O-N 2.92Å; G297-M299 VanDerWaalsContact O-N 3.08Å |
| 298 | P | 63.6 | Low | 55.2 | Low | 134 Ų | 134 | 124.1 Ų | 124.1 | 87% | 0.87 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -47.7 | 123.1 | -172.9 | 20.4 | -33.6 | 0 | 0 | 0 | 110.9 | S300 | P298-S300 PolarHBondContact O-N 3.08Å; P298-S300 VanDerWaalsContact O-N 3.1Å |
| 299 | M | 69.9 | Low | 56.6 | Low | 100 Ų | 100 | 121.9 Ų | 121.9 | 49% | 0.493 | 61% | 0.607 | S | S | . | * | | | trans | -44 | 119 | -172.9 | 174.5 | 169.7 | 50.5 | 0 | 0 | 110.1 | G297 F301 K303 F304 | G297-M299 PolarHBondContact O-N 2.92Å; G297-M299 VanDerWaalsContact O-N 3.08Å; M299-F301 PolarHBondContact O-N 2.94Å; M299-K303 HydrophobicContact CG-CB 3.82Å; M299-K303 HydrophobicContact CG-CD 4.29Å; M299-K303 HydrophobicContact CG-CG 4.17Å; M299-K303 HydrophobicContact SD-CB 4.42Å; M299-K303 HydrophobicContact SD-CG 4.37Å; M299-F304 HydrophobicContact CE-CB 3.93Å; M299-F304 HydrophobicContact CE-CD2 3.78Å; M299-F304 HydrophobicContact CE-CG 4.34Å; M299-F304 HydrophobicContact CG-CB 4.29Å; M299-F304 HydrophobicContact SD-CB 4.35Å |
| 300 | S | 72.5 | Confident | 57.8 | Low | 69 Ų | 69 | 119.4 Ų | 119.4 | 48% | 0.483 | 60% | 0.599 | S | S | . | * | | | trans | -57.4 | 143.6 | -174 | 76.3 | 0 | 0 | 0 | 0 | 110.3 | P298 A302 K303 F304 | P298-S300 PolarHBondContact O-N 3.08Å; P298-S300 VanDerWaalsContact O-N 3.1Å; S300-A302 PolarHBondContact O-N 3.17Å; S300-K303 CarbonylContact O-C 3.57Å; S300-K303 WeakPolarHBondContact O-CA 3.26Å; S300-K303 WeakPolarHBondContact O-CB 3.36Å; S300-K303 PolarHBondContact O-N 3.08Å; S300-K303 PolarHBondContact OG-N 3.09Å; S300-F304 PolarHBondContact O-N 3.33Å |
| 301 | F | 63.7 | Low | 58.5 | Low | 150 Ų | 150 | 120.2 Ų | 120.2 | 66% | 0.658 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -56.5 | -27.7 | -175.6 | -173.7 | -104.6 | 0 | 0 | 0 | 112.9 | M299 F304 R305 | M299-F301 PolarHBondContact O-N 2.94Å; F301-F304 HydrophobicContact CD2-CD1 4.05Å; F301-F304 HydrophobicContact CE2-CD1 4.11Å; F301-F304 HydrophobicContact CE2-CE1 4.42Å; F301-R305 HydrophobicContact CD1-CG 4.02Å; F301-R305 HydrophobicContact CE1-CG 3.69Å; F301-R305 HydrophobicContact CE2-CG 4.35Å; F301-R305 HydrophobicContact CG-CG 4.5Å; F301-R305 HydrophobicContact CZ-CG 3.87Å; F301-R305 VanDerWaalsContact O-CB 3.27Å; F301-R305 WeakPolarHBondContact O-CB 3.36Å; F301-R305 WeakPolarHBondContact O-CG 3.5Å; F301-R305 PolarHBondContact O-N 3.26Å |
| 302 | A | 75.2 | Confident | 58.7 | Low | 71 Ų | 71 | 119.3 Ų | 119.3 | 59% | 0.587 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.3 | -38.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S300 R306 | S300-A302 PolarHBondContact O-N 3.17Å; A302-R306 PolarHBondContact O-N 2.92Å |
| 303 | K | 77 | Confident | 58.7 | Low | 116 Ų | 116 | 116.3 Ų | 116.3 | 50% | 0.504 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -72.5 | -38.3 | 176.1 | -158.4 | 178.3 | -174.7 | -170.4 | 0 | 110.7 | M299 S300 R306 S307 | M299-K303 HydrophobicContact CG-CB 3.82Å; M299-K303 HydrophobicContact CG-CD 4.29Å; M299-K303 HydrophobicContact CG-CG 4.17Å; M299-K303 HydrophobicContact SD-CB 4.42Å; M299-K303 HydrophobicContact SD-CG 4.37Å; S300-K303 CarbonylContact O-C 3.57Å; S300-K303 WeakPolarHBondContact O-CA 3.26Å; S300-K303 WeakPolarHBondContact O-CB 3.36Å; S300-K303 PolarHBondContact O-N 3.08Å; S300-K303 PolarHBondContact OG-N 3.09Å; K303-R306 WeakPolarHBondContact O-CB 3.38Å; K303-R306 PolarHBondContact O-N 3.43Å; K303-S307 PolarHBondContact O-N 2.73Å |
| 304 | F | 75.4 | Confident | 58.7 | Low | 79 Ų | 79 | 110.3 Ų | 110.3 | 35% | 0.346 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.5 | -43.6 | 169.8 | 174.3 | -114.3 | 0 | 0 | 0 | 113 | M299 S300 F301 R306 S307 M308 | M299-F304 HydrophobicContact CE-CB 3.93Å; M299-F304 HydrophobicContact CE-CD2 3.78Å; M299-F304 HydrophobicContact CE-CG 4.34Å; M299-F304 HydrophobicContact CG-CB 4.29Å; M299-F304 HydrophobicContact SD-CB 4.35Å; S300-F304 PolarHBondContact O-N 3.33Å; F301-F304 HydrophobicContact CD2-CD1 4.05Å; F301-F304 HydrophobicContact CE2-CD1 4.11Å; F301-F304 HydrophobicContact CE2-CE1 4.42Å; F304-R306 VanDerWaalsContact C-N 3.28Å; F304-R306 PolarHBondContact O-N 3.32Å; F304-S307 PolarHBondContact O-N 3.31Å; F304-S307 PolarHBondContact O-OG 3.25Å; F304-M308 HydrophobicContact CD1-CE 4.48Å; F304-M308 HydrophobicContact CD2-CG 4.31Å; F304-M308 HydrophobicContact CE1-CE 3.73Å; F304-M308 HydrophobicContact CE1-CG 4.45Å; F304-M308 HydrophobicContact CE1-SD 4.03Å; F304-M308 HydrophobicContact CE2-CG 3.87Å; F304-M308 HydrophobicContact CE2-SD 3.98Å; F304-M308 HydrophobicContact CZ-CE 3.86Å; F304-M308 HydrophobicContact CZ-CG 3.96Å; F304-M308 HydrophobicContact CZ-SD 3.5Å; F304-M308 WeakPolarHBondContact CZ-SD 3.23Å; F304-M308 WeakPolarHBondContact O-CG 3.27Å; F304-M308 PolarHBondContact O-N 3.02Å |
| 305 | R | 71.1 | Confident | 58.6 | Low | 133 Ų | 133 | 113.1 Ų | 113.1 | 50% | 0.502 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.6 | -32.7 | 173.9 | -75.3 | -78.6 | -80.9 | 179.7 | -5.2 | 111.8 | F301 I309 | F301-R305 HydrophobicContact CD1-CG 4.02Å; F301-R305 HydrophobicContact CE1-CG 3.69Å; F301-R305 HydrophobicContact CE2-CG 4.35Å; F301-R305 HydrophobicContact CG-CG 4.5Å; F301-R305 HydrophobicContact CZ-CG 3.87Å; F301-R305 VanDerWaalsContact O-CB 3.27Å; F301-R305 WeakPolarHBondContact O-CB 3.36Å; F301-R305 WeakPolarHBondContact O-CG 3.5Å; F301-R305 PolarHBondContact O-N 3.26Å; R305-I309 VanDerWaalsContact O-CD1 3.25Å; R305-I309 WeakPolarHBondContact O-CD1 3.17Å; R305-I309 WeakPolarHBondContact O-CG1 3.4Å; R305-I309 PolarHBondContact O-N 3.24Å |
| 306 | R | 72.2 | Confident | 58.3 | Low | 200 Ų | 200 | 109.5 Ų | 109.5 | 76% | 0.755 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.7 | -49.4 | 170.1 | -84.3 | -174.1 | 178.9 | 165.9 | 0.1 | 111.7 | A302 K303 F304 M308 I309 S310 | A302-R306 PolarHBondContact O-N 2.92Å; K303-R306 WeakPolarHBondContact O-CB 3.38Å; K303-R306 PolarHBondContact O-N 3.43Å; F304-R306 VanDerWaalsContact C-N 3.28Å; F304-R306 PolarHBondContact O-N 3.32Å; R306-M308 PolarHBondContact O-N 3.48Å; R306-I309 CarbonylContact O-C 3.59Å; R306-I309 WeakPolarHBondContact O-CA 3.46Å; R306-I309 PolarHBondContact O-N 2.95Å; R306-S310 PolarHBondContact O-N 2.84Å; R306-S310 PolarHBondContact O-OG 3.11Å; R306-S310 VanDerWaalsContact O-OG 3.1Å |
| 307 | S | 70.2 | Confident | 58 | Low | 29 Ų | 29 | 110.7 Ų | 110.7 | 20% | 0.203 | 58% | 0.583 | C | S | . | * | H | α-helix | trans | -58.1 | -48.5 | 179.2 | 72.7 | 0 | 0 | 0 | 0 | 111.4 | K303 F304 I309 S310 D311 | K303-S307 PolarHBondContact O-N 2.73Å; F304-S307 PolarHBondContact O-N 3.31Å; F304-S307 PolarHBondContact O-OG 3.25Å; S307-I309 PolarHBondContact O-N 3.48Å; S307-S310 WeakPolarHBondContact CA-OG 3.18Å; S307-S310 PolarHBondContact O-N 2.86Å; S307-S310 PolarHBondContact O-OG 3.42Å; S307-D311 VanDerWaalsContact O-CB 3.25Å; S307-D311 WeakPolarHBondContact O-CB 3.34Å; S307-D311 PolarHBondContact O-N 3.07Å; S307-D311 VanDerWaalsContact O-OD1 3.08Å |
| 308 | M | 65 | Low | 57.4 | Low | 84 Ų | 84 | 117.1 Ų | 117.1 | 41% | 0.414 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -59.8 | -19.2 | 175.5 | -68.8 | -147.9 | -56.1 | 0 | 0 | 115.1 | F304 R306 N312 | F304-M308 HydrophobicContact CD1-CE 4.48Å; F304-M308 HydrophobicContact CD2-CG 4.31Å; F304-M308 HydrophobicContact CE1-CE 3.73Å; F304-M308 HydrophobicContact CE1-CG 4.45Å; F304-M308 HydrophobicContact CE1-SD 4.03Å; F304-M308 HydrophobicContact CE2-CG 3.87Å; F304-M308 HydrophobicContact CE2-SD 3.98Å; F304-M308 HydrophobicContact CZ-CE 3.86Å; F304-M308 HydrophobicContact CZ-CG 3.96Å; F304-M308 HydrophobicContact CZ-SD 3.5Å; F304-M308 WeakPolarHBondContact CZ-SD 3.23Å; F304-M308 WeakPolarHBondContact O-CG 3.27Å; F304-M308 PolarHBondContact O-N 3.02Å; R306-M308 PolarHBondContact O-N 3.48Å; M308-N312 PolarHBondContact O-ND2 2.92Å |
| 309 | I | 60.6 | Low | 55.9 | Low | 104 Ų | 104 | 118.7 Ų | 118.7 | 53% | 0.533 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -96.5 | -37.1 | 176.6 | -65 | 168.5 | 0 | 0 | 0 | 111.3 | R305 R306 S307 | R305-I309 VanDerWaalsContact O-CD1 3.25Å; R305-I309 WeakPolarHBondContact O-CD1 3.17Å; R305-I309 WeakPolarHBondContact O-CG1 3.4Å; R305-I309 PolarHBondContact O-N 3.24Å; R306-I309 CarbonylContact O-C 3.59Å; R306-I309 WeakPolarHBondContact O-CA 3.46Å; R306-I309 PolarHBondContact O-N 2.95Å; S307-I309 PolarHBondContact O-N 3.48Å |
| 310 | S | 56.9 | Low | 54.1 | Low | 63 Ų | 63 | 123.1 Ų | 123.1 | 44% | 0.441 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -72.4 | -38.3 | 177.3 | 54.2 | 0 | 0 | 0 | 0 | 112.3 | R306 S307 N312 L313 | R306-S310 PolarHBondContact O-N 2.84Å; R306-S310 PolarHBondContact O-OG 3.11Å; R306-S310 VanDerWaalsContact O-OG 3.1Å; S307-S310 WeakPolarHBondContact CA-OG 3.18Å; S307-S310 PolarHBondContact O-N 2.86Å; S307-S310 PolarHBondContact O-OG 3.42Å; S310-N312 PolarHBondContact O-N 2.73Å; S310-N312 VanDerWaalsContact O-N 3.08Å; S310-L313 PolarHBondContact O-N 3.48Å; S310-L313 VanDerWaalsContact O-N 3.08Å |
| 311 | D | 50.6 | Low | 52.1 | Low | 119 Ų | 119 | 129.7 Ų | 129.7 | 64% | 0.636 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -2.3 | -176.1 | -51 | -7.4 | 0 | 0 | 0 | 111.7 | S307 | S307-D311 VanDerWaalsContact O-CB 3.25Å; S307-D311 WeakPolarHBondContact O-CB 3.34Å; S307-D311 PolarHBondContact O-N 3.07Å; S307-D311 VanDerWaalsContact O-OD1 3.08Å |
| 312 | N | 40.7 | Very low | 50.7 | Low | 131 Ų | 131 | 131 Ų | 131 | 70% | 0.701 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.7 | 5.7 | 174.7 | -72.8 | -71.1 | 0 | 0 | 0 | 113.4 | M308 S310 | M308-N312 PolarHBondContact O-ND2 2.92Å; S310-N312 PolarHBondContact O-N 2.73Å; S310-N312 VanDerWaalsContact O-N 3.08Å |
| 313 | L | 36.3 | Very low | 48.4 | Very low | 122 Ų | 122 | 131.3 Ų | 131.3 | 64% | 0.639 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -96.1 | 119.9 | 164.8 | -75.2 | 170 | 0 | 0 | 0 | 107.6 | S310 M315 | S310-L313 PolarHBondContact O-N 3.48Å; S310-L313 VanDerWaalsContact O-N 3.08Å; L313-M315 PolarHBondContact O-N 3.09Å; L313-M315 VanDerWaalsContact O-N 3.17Å |
| 314 | P | 37.7 | Very low | 46.1 | Very low | 107 Ų | 107 | 136.4 Ų | 136.4 | 70% | 0.695 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 123.6 | 173.7 | 26.2 | -32.2 | 0 | 0 | 0 | 108.2 | D316 | P314-D316 PolarHBondContact O-N 2.98Š|
| 315 | M | 36.8 | Very low | 43.9 | Very low | 157 Ų | 157 | 141 Ų | 141 | 77% | 0.773 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 123.1 | 164.2 | -72.9 | -70 | -65.7 | 0 | 0 | 107.1 | L313 E317 | L313-M315 PolarHBondContact O-N 3.09Å; L313-M315 VanDerWaalsContact O-N 3.17Å; M315-E317 HydrophobicContact CB-CG 4.29Å; M315-E317 PolarHBondContact O-N 2.84Å |
| 316 | D | 34.8 | Very low | 42.1 | Very low | 158 Ų | 158 | 141.7 Ų | 141.7 | 85% | 0.845 | 70% | 0.704 | S | S | * | * | | | trans | -71.4 | 65.3 | 172.4 | -67 | -46.7 | 0 | 0 | 0 | 109.9 | P314 E318 | P314-D316 PolarHBondContact O-N 2.98Å; D316-E318 PolarHBondContact O-N 3.39Å |
| 317 | E | 39.6 | Very low | 40.1 | Very low | 157 Ų | 157 | 137 Ų | 137 | 73% | 0.734 | 70% | 0.702 | S | S | * | * | | | trans | -80.1 | 101.4 | 169.8 | -78.6 | -92.2 | 145.8 | 0 | 0 | 108.4 | M315 H319 | M315-E317 HydrophobicContact CB-CG 4.29Å; M315-E317 PolarHBondContact O-N 2.84Å; E317-H319 PolarHBondContact O-N 2.95Å |
| 318 | E | 35 | Very low | 38.2 | Very low | 177 Ų | 177 | 144.4 Ų | 144.4 | 83% | 0.827 | 73% | 0.734 | S | S | * | * | | | trans | -57.9 | 124.5 | -176.1 | -64.5 | -174.9 | 145.9 | 0 | 0 | 112.5 | D316 K320 | D316-E318 PolarHBondContact O-N 3.39Å; E318-K320 PolarHBondContact O-N 3.01Å |
| 319 | H | 32.6 | Very low | 36.8 | Very low | 166 Ų | 166 | 147.3 Ų | 147.3 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | | | trans | -63.8 | 93.1 | 178.9 | -65.2 | -62.7 | 0 | 0 | 0 | 113.1 | E317 Y321 | E317-H319 PolarHBondContact O-N 2.95Å; H319-Y321 HydrophobicContact CB-CD2 4.11Å; H319-Y321 HydrophobicContact CB-CE2 4.02Å; H319-Y321 PolarHBondContact O-N 2.96Å |
| 320 | K | 33.3 | Very low | 35.5 | Very low | 193 Ų | 193 | 149.9 Ų | 149.9 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | | | trans | -84 | 89.7 | 159 | -80.2 | -173.5 | 177 | 175.9 | 0 | 110.8 | E318 Q322 | E318-K320 PolarHBondContact O-N 3.01Å; K320-Q322 PolarHBondContact O-N 3.4Å; K320-Q322 VanDerWaalsContact O-N 3.13Å |
| 321 | Y | 29.9 | Very low | 34.5 | Very low | 207 Ų | 207 | 152.2 Ų | 152.2 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | | | trans | -61.4 | 108.8 | 163 | -78.8 | -94 | 0 | 0 | 0 | 109.9 | H319 | H319-Y321 HydrophobicContact CB-CD2 4.11Å; H319-Y321 HydrophobicContact CB-CE2 4.02Å; H319-Y321 PolarHBondContact O-N 2.96Å |
| 322 | Q | 34.5 | Very low | 33.7 | Very low | 179 Ų | 179 | 152.8 Ų | 152.8 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | | | trans | -123.6 | 105.9 | 163.7 | -87.8 | -80.1 | -31.1 | 0 | 0 | 106.8 | K320 R324 | K320-Q322 PolarHBondContact O-N 3.4Å; K320-Q322 VanDerWaalsContact O-N 3.13Å; Q322-R324 PolarHBondContact O-N 3.49Å |
| 323 | G | 25.6 | Very low | 33.3 | Very low | 77 Ų | 77 | 150.8 Ų | 150.8 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | | | trans | -66.5 | 124.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 324 | R | 29 | Very low | 32.9 | Very low | 223 Ų | 223 | 153.8 Ų | 153.8 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | | | trans | -125.9 | 106.7 | 154.9 | -73.8 | -169.8 | -178.6 | -178.4 | 1.7 | 108.4 | Q322 L326 | Q322-R324 PolarHBondContact O-N 3.49Å; R324-L326 PolarHBondContact O-N 2.89Å |
| 325 | N | 29.3 | Very low | 32.9 | Very low | 174 Ų | 174 | 153.4 Ų | 153.4 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | | | trans | -64.8 | 103.5 | 163.9 | -62.2 | -36.5 | 0 | 0 | 0 | 107 | | |
| 326 | L | 33.3 | Very low | 32.8 | Very low | 148 Ų | 148 | 155.9 Ų | 155.9 | 78% | 0.775 | 81% | 0.806 | S | S | * | * | | | trans | -106.5 | 113.9 | 166.5 | -77.2 | 165.4 | 0 | 0 | 0 | 106.4 | R324 H328 | R324-L326 PolarHBondContact O-N 2.89Å; L326-H328 PolarHBondContact O-N 3.33Å |
| 327 | S | 30.9 | Very low | 32.7 | Very low | 102 Ų | 102 | 155.2 Ų | 155.2 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | | | trans | -56.6 | 127.2 | 174.5 | 44.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 328 | H | 31 | Very low | 32.7 | Very low | 185 Ų | 185 | 152.4 Ų | 152.4 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | | | trans | -87.5 | 106.4 | 162.2 | -89 | -18.7 | 0 | 0 | 0 | 108 | L326 | L326-H328 PolarHBondContact O-N 3.33Š|
| 329 | D | 33.7 | Very low | 33 | Very low | 144 Ų | 144 | 152.8 Ų | 152.8 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | | | trans | -61.1 | 140.2 | 165.6 | -67.6 | -50.3 | 0 | 0 | 0 | 110 | S331 | D329-S331 PolarHBondContact O-N 3.29Š|
| 330 | D | 34.9 | Very low | 33.4 | Very low | 159 Ų | 159 | 154.7 Ų | 154.7 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | | | trans | -65.8 | 100.8 | -172.5 | -71.9 | -58.8 | 0 | 0 | 0 | 112.3 | T332 | D330-T332 PolarHBondContact O-N 3.37Š|
| 331 | S | 35.1 | Very low | 33.4 | Very low | 112 Ų | 112 | 156.1 Ų | 156.1 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | | | trans | -73 | 107.2 | 166.4 | 53.8 | 0 | 0 | 0 | 0 | 109.9 | D329 A333 | D329-S331 PolarHBondContact O-N 3.29Å; S331-A333 VanDerWaalsContact C-N 3.34Å; S331-A333 PolarHBondContact O-N 2.92Å |
| 332 | T | 33 | Very low | 33.7 | Very low | 130 Ų | 130 | 155.7 Ų | 155.7 | 80% | 0.798 | 81% | 0.809 | S | S | * | * | | | trans | -61.7 | 81.9 | -176.7 | 51.2 | 0 | 0 | 0 | 0 | 113.2 | D330 | D330-T332 PolarHBondContact O-N 3.37Š|
| 333 | A | 32.9 | Very low | 34 | Very low | 90 Ų | 90 | 151.8 Ų | 151.8 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | | | trans | -83 | 117.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | S331 A335 | S331-A333 VanDerWaalsContact C-N 3.34Å; S331-A333 PolarHBondContact O-N 2.92Å; A333-A335 PolarHBondContact O-N 2.86Å |
| 334 | F | 29 | Very low | 34.4 | Very low | 184 Ų | 184 | 156.3 Ų | 156.3 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | | | trans | -58.7 | 93.3 | 178.9 | -89.5 | -103.5 | 0 | 0 | 0 | 112.5 | R336 | F334-R336 VanDerWaalsContact C-N 3.32Å; F334-R336 PolarHBondContact O-N 3.17Å |
| 335 | A | 38 | Very low | 34.7 | Very low | 100 Ų | 100 | 153 Ų | 153 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | | | trans | -74.8 | 80.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111 | A333 | A333-A335 PolarHBondContact O-N 2.86Š|
| 336 | R | 33.1 | Very low | 34.9 | Very low | 208 Ų | 208 | 149.6 Ų | 149.6 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | trans | -71.3 | 135.7 | 164.3 | -78.4 | -177 | 151.6 | 100.7 | -1.1 | 109.8 | F334 | F334-R336 VanDerWaalsContact C-N 3.32Å; F334-R336 PolarHBondContact O-N 3.17Å |
| 337 | D | 33.2 | Very low | 35.1 | Very low | 145 Ų | 145 | 151 Ų | 151 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | | | trans | 64.5 | 77.9 | 172.8 | -62 | -30.3 | 0 | 0 | 0 | 118.8 | | |
| 338 | S | 40.6 | Very low | 35.1 | Very low | 98 Ų | 98 | 154.8 Ų | 154.8 | 69% | 0.685 | 80% | 0.799 | S | S | * | * | | | trans | -134 | 53.2 | 153.7 | -166 | 0 | 0 | 0 | 0 | 112.1 | F340 | S338-F340 PolarHBondContact O-N 3.47Š|
| 339 | K | 40.9 | Very low | 35.2 | Very low | 185 Ų | 185 | 149.2 Ų | 149.2 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 10.8 | -178.9 | -65.2 | -168.2 | 177.5 | -171.2 | 0 | 115.2 | | |
| 340 | F | 39.7 | Very low | 35.1 | Very low | 205 Ų | 205 | 152 Ų | 152 | 90% | 0.899 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.9 | 28.8 | -172.1 | -75.8 | -70.9 | 0 | 0 | 0 | 115.2 | S338 | S338-F340 PolarHBondContact O-N 3.47Š|
| 341 | R | 34.6 | Very low | 34.8 | Very low | 223 Ų | 223 | 152.6 Ų | 152.6 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | | | trans | -121.7 | 101.5 | 161.8 | -73.7 | -170.9 | 174.7 | -132 | -1.2 | 109.9 | | |
| 342 | K | 34.8 | Very low | 34.5 | Very low | 199 Ų | 199 | 150.4 Ų | 150.4 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | | | trans | -63.6 | 139.3 | 167.9 | -68.9 | -171.1 | 174.2 | -170.4 | 0 | 109 | I344 | K342-I344 PolarHBondContact O-N 2.95Š|
| 343 | P | 40.8 | Very low | 34.5 | Very low | 97 Ų | 97 | 150.5 Ų | 150.5 | 63% | 0.63 | 80% | 0.797 | S | S | * | * | | | trans | -60.2 | 134.2 | 175.2 | -22.3 | 33.5 | 0 | 0 | 0 | 111.2 | H345 | P343-H345 PolarHBondContact O-N 3.45Š|
| 344 | I | 35.1 | Very low | 34.3 | Very low | 171 Ų | 171 | 152 Ų | 152 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | | | trans | -83 | 102.8 | 163.1 | -61.1 | 174.9 | 0 | 0 | 0 | 105.3 | K342 S346 | K342-I344 PolarHBondContact O-N 2.95Å; I344-S346 PolarHBondContact O-N 3.45Å |
| 345 | H | 35.7 | Very low | 34.4 | Very low | 154 Ų | 154 | 151.4 Ų | 151.4 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | | | trans | -68.4 | 117.8 | 176.3 | -70.9 | -85.7 | 0 | 0 | 0 | 109.8 | P343 I347 | P343-H345 PolarHBondContact O-N 3.45Å; H345-I347 PolarHBondContact O-N 2.94Å |
| 346 | S | 33 | Very low | 34.2 | Very low | 103 Ų | 103 | 152.8 Ų | 152.8 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | | | trans | -71 | 104.3 | 168.3 | 47.1 | 0 | 0 | 0 | 0 | 109.3 | I344 E348 | I344-S346 PolarHBondContact O-N 3.45Å; S346-E348 VanDerWaalsContact C-N 3.29Å; S346-E348 PolarHBondContact O-N 3.26Å |
| 347 | I | 37.2 | Very low | 34 | Very low | 177 Ų | 177 | 148.7 Ų | 148.7 | 91% | 0.908 | 80% | 0.802 | S | S | * | * | | | trans | -75.4 | 84.6 | 166.6 | 35.3 | 171.2 | 0 | 0 | 0 | 109.1 | H345 | H345-I347 PolarHBondContact O-N 2.94Š|
| 348 | E | 31 | Very low | 33.9 | Very low | 181 Ų | 181 | 153.2 Ų | 153.2 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | | | trans | -109.4 | 122.2 | 172 | -173.4 | 164.5 | -150.1 | 0 | 0 | 108.5 | S346 | S346-E348 VanDerWaalsContact C-N 3.29Å; S346-E348 PolarHBondContact O-N 3.26Å |
| 349 | G | 32.9 | Very low | 33.4 | Very low | 68 Ų | 68 | 156.6 Ų | 156.6 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | | | trans | 114.7 | 73.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 350 | Q | 32.2 | Very low | 32.8 | Very low | 202 Ų | 202 | 153 Ų | 153 | 94% | 0.944 | 81% | 0.811 | S | S | * | * | | | trans | -141.4 | 112.6 | 143.3 | -111.8 | 169.9 | 34.1 | 0 | 0 | 109.1 | | |
| 351 | I | 28.2 | Very low | 32.5 | Very low | 172 Ų | 172 | 152.1 Ų | 152.1 | 88% | 0.882 | 81% | 0.807 | S | S | * | * | | | trans | -113.3 | 136 | -176.6 | -65.9 | 171.3 | 0 | 0 | 0 | 107.6 | | |
| 352 | G | 28.9 | Very low | 32.2 | Very low | 66 Ų | 66 | 150.2 Ų | 150.2 | 68% | 0.68 | 81% | 0.808 | S | S | * | * | | | trans | 98.2 | 136.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 353 | T | 32.6 | Very low | 32.1 | Very low | 132 Ų | 132 | 147.5 Ų | 147.5 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | | | cis | -153.2 | 150.6 | 1.2 | 10.2 | 0 | 0 | 0 | 0 | 109 | | |
| 354 | P | 29.5 | Very low | 31.5 | Very low | 122 Ų | 122 | 151 Ų | 151 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | | | trans | -77.7 | 126.6 | -176.8 | 31 | -33.1 | 0 | 0 | 0 | 111.7 | | |
| 355 | L | 31.1 | Very low | 31.5 | Very low | 172 Ų | 172 | 150.7 Ų | 150.7 | 90% | 0.901 | 80% | 0.802 | S | S | * | * | | | trans | -107.5 | 135.3 | 168.9 | -74.3 | 172.9 | 0 | 0 | 0 | 110.7 | | |
| 356 | V | 33.6 | Very low | 31.4 | Very low | 128 Ų | 128 | 149.3 Ų | 149.3 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | | | trans | -78 | 139 | -167.5 | 176 | 0 | 0 | 0 | 0 | 111.5 | | |
| 357 | P | 29.2 | Very low | 31 | Very low | 122 Ų | 122 | 152.2 Ų | 152.2 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | | | trans | -62.8 | 135.3 | 174.3 | -20.7 | 32.7 | 0 | 0 | 0 | 112.3 | | |
| 358 | R | 30.4 | Very low | 30.9 | Very low | 241 Ų | 241 | 153 Ų | 153 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | | | trans | -124.5 | 157.2 | 167.2 | -93.6 | -164.4 | 172.2 | -168 | -0.5 | 112.4 | | |
| 359 | H | 30.2 | Very low | 30.9 | Very low | 168 Ų | 168 | 149.5 Ų | 149.5 | 78% | 0.778 | 81% | 0.805 | S | S | * | * | | | trans | -67.2 | 158.3 | -161.7 | -75.4 | -101.5 | 0 | 0 | 0 | 115.6 | | |
| 360 | S | 28 | Very low | 31 | Very low | 109 Ų | 109 | 155 Ų | 155 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | | | trans | -42.7 | 132 | 157.4 | 49.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 361 | F | 33.3 | Very low | 31.1 | Very low | 188 Ų | 188 | 151.7 Ų | 151.7 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | | | trans | -104.4 | 121 | 157.8 | -88.7 | -95 | 0 | 0 | 0 | 109 | | |
| 362 | E | 27.7 | Very low | 31.3 | Very low | 183 Ų | 183 | 151.2 Ų | 151.2 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | | | trans | -74.3 | 136.3 | 153.6 | -64.8 | -179.6 | 128.1 | 0 | 0 | 107.5 | | |
| 363 | D | 34.3 | Very low | 31.4 | Very low | 141 Ų | 141 | 152.7 Ų | 152.7 | 75% | 0.754 | 80% | 0.8 | S | S | * | * | | | trans | -138.8 | 153.5 | 163.7 | -113.4 | -39 | 0 | 0 | 0 | 112 | | |
| 364 | K | 28 | Very low | 31.5 | Very low | 171 Ų | 171 | 156.2 Ų | 156.2 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | | | trans | -99.8 | -160.9 | -150.7 | -61.9 | -172.8 | 176.1 | -179.5 | 0 | 113.6 | | |
| 365 | H | 34.2 | Very low | 31.4 | Very low | 164 Ų | 164 | 157.4 Ų | 157.4 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | | | trans | 86.3 | 132.3 | 169 | -44.9 | -71.9 | 0 | 0 | 0 | 114.4 | | |
| 366 | T | 33 | Very low | 31.6 | Very low | 126 Ų | 126 | 158.2 Ų | 158.2 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | | | cis | -157.9 | 140.3 | 2.4 | 0.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 367 | N | 26.4 | Very low | 31.4 | Very low | 164 Ų | 164 | 157.5 Ų | 157.5 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | | | trans | -78.5 | 136.4 | 171.3 | -78 | -41.2 | 0 | 0 | 0 | 112.2 | | |
| 368 | K | 35 | Very low | 31.5 | Very low | 192 Ų | 192 | 158.4 Ų | 158.4 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | | | trans | -151 | 107 | 159.4 | -74.9 | -162.7 | 178.2 | -178.2 | 0 | 114.1 | | |
| 369 | S | 29.6 | Very low | 31.5 | Very low | 108 Ų | 108 | 155.2 Ų | 155.2 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | | | trans | 63.5 | 149.8 | 147.1 | 81.7 | 0 | 0 | 0 | 0 | 118.6 | | |
| 370 | K | 35.9 | Very low | 31.3 | Very low | 185 Ų | 185 | 153.5 Ų | 153.5 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | cis | -137.9 | 126.5 | -0.1 | -59.3 | 171.1 | -178.7 | 176.9 | 0 | 106.3 | | |
| 371 | V | 33.1 | Very low | 31.4 | Very low | 132 Ų | 132 | 157.7 Ų | 157.7 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | | | | 31.2 | 105.6 | 100.1 | -168.7 | 0 | 0 | 0 | 0 | 115.1 | | |
| 372 | D | 33.1 | Very low | 31.3 | Very low | 162 Ų | 162 | 154.8 Ų | 154.8 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | | | trans | -156.9 | 127 | 130.7 | -121.7 | -22.9 | 0 | 0 | 0 | 110.3 | | |
| 373 | P | 32.2 | Very low | 31.3 | Very low | 96 Ų | 96 | 154.5 Ų | 154.5 | 62% | 0.623 | 79% | 0.789 | S | S | * | * | | | trans | -104.2 | 138.5 | -176.1 | 36.3 | -30.4 | 0 | 0 | 0 | 113.6 | | |
| 374 | Q | 33.1 | Very low | 31.5 | Very low | 206 Ų | 206 | 152.6 Ų | 152.6 | 96% | 0.963 | 78% | 0.784 | S | S | * | * | | | trans | -115.1 | 127.9 | 158.7 | -84.3 | -165.9 | -4.2 | 0 | 0 | 111.5 | | |
| 375 | I | 29.1 | Very low | 31.7 | Very low | 147 Ų | 147 | 151.5 Ų | 151.5 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | | | trans | -107.9 | 132.7 | -178.9 | -62.2 | 167 | 0 | 0 | 0 | 108.8 | | |
| 376 | K | 33.5 | Very low | 31.6 | Very low | 189 Ų | 189 | 149.9 Ų | 149.9 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | | | trans | -171.1 | 112.1 | 154.1 | -98.9 | 150.7 | -174.8 | -176.1 | 0 | 107 | | |
| 377 | T | 30.6 | Very low | 31.3 | Very low | 114 Ų | 114 | 150.3 Ų | 150.3 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | | | | 48.4 | 133.3 | 94 | 51.6 | 0 | 0 | 0 | 0 | 114 | | |
| 378 | E | 30.3 | Very low | 31.6 | Very low | 140 Ų | 140 | 152 Ų | 152 | 65% | 0.654 | 78% | 0.778 | S | S | * | * | | | cis | -161.9 | 151.8 | 13.4 | -132.7 | -178.5 | 132.8 | 0 | 0 | 113.4 | | |
| 379 | K | 30.1 | Very low | 31.3 | Very low | 175 Ų | 175 | 147.3 Ų | 147.3 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | | | trans | 50.4 | 120.2 | 150.6 | -76.4 | 165.4 | -175.1 | 157.6 | 0 | 123.2 | | |
| 380 | P | 27.4 | Very low | 31.5 | Very low | 132 Ų | 132 | 154 Ų | 154 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | | | trans | -96.6 | 148 | 156.5 | 36.6 | -31.2 | 0 | 0 | 0 | 114.1 | | |
| 381 | K | 29.5 | Very low | 31 | Very low | 197 Ų | 197 | 152.5 Ų | 152.5 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | | | trans | -168.8 | 142.5 | 169.3 | -114.4 | -178.9 | 178.7 | -178.3 | 0 | 106 | | |
| 382 | T | 30.9 | Very low | 31.1 | Very low | 127 Ų | 127 | 153.6 Ų | 153.6 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | | | cis | -155.5 | 155.1 | 10.3 | -32.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 383 | Q | 28.4 | Very low | 31 | Very low | 176 Ų | 176 | 153.2 Ų | 153.2 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | | | trans | -92.8 | -171.7 | 162 | -67.2 | -147 | 4.6 | 0 | 0 | 110.2 | | |
| 384 | P | 38.4 | Very low | 30.9 | Very low | 101 Ų | 101 | 156.3 Ų | 156.3 | 66% | 0.656 | 78% | 0.784 | S | S | * | * | | | cis | -131.6 | -144.4 | -6.3 | 39.6 | -18 | 0 | 0 | 0 | 113.1 | | |
| 385 | L | 32.6 | Very low | 30.9 | Very low | 148 Ų | 148 | 151.8 Ų | 151.8 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | | | trans | 91.5 | 138.9 | 174 | -53 | 168 | 0 | 0 | 0 | 115.5 | | |
| 386 | D | 31.7 | Very low | 31 | Very low | 131 Ų | 131 | 153.3 Ų | 153.3 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | | | cis | -157.3 | 164.5 | -13.5 | -131.4 | -12.4 | 0 | 0 | 0 | 114.8 | | |
| 387 | I | 25.9 | Very low | 30.8 | Very low | 134 Ų | 134 | 147.8 Ų | 147.8 | 69% | 0.687 | 77% | 0.767 | S | S | * | * | | | trans | -45.7 | 142.6 | -177.9 | -58.6 | 149.5 | 0 | 0 | 0 | 118.5 | | |
| 388 | K | 33.1 | Very low | 30.8 | Very low | 200 Ų | 200 | 152.1 Ų | 152.1 | 87% | 0.87 | 78% | 0.776 | S | S | * | * | | | trans | 169.2 | 104.6 | 134 | -90.3 | 150.7 | -166.6 | 173.7 | 0 | 111.2 | | |
| 389 | A | 29.4 | Very low | 30.7 | Very low | 93 Ų | 93 | 150.7 Ų | 150.7 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | | 78.1 | 95.1 | 69.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 390 | R | 32.7 | Very low | 30.8 | Very low | 249 Ų | 249 | 152.7 Ų | 152.7 | 94% | 0.94 | 79% | 0.79 | S | S | * | * | | | trans | -164.8 | 134.2 | 138.4 | -128.2 | 174.7 | -177.2 | 152.7 | 1.7 | 112.8 | | |
| 391 | N | 27.2 | Very low | 30.9 | Very low | 154 Ų | 154 | 154.8 Ų | 154.8 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | | | trans | -94.3 | 153.6 | 174.9 | -64.5 | -38.2 | 0 | 0 | 0 | 111.4 | | |
| 392 | L | 34.8 | Very low | 31 | Very low | 154 Ų | 154 | 151 Ų | 151 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | | | trans | -162.9 | 108.8 | 139.4 | -122.2 | 108.2 | 0 | 0 | 0 | 106.3 | | |
| 393 | E | 30.8 | Very low | 30.9 | Very low | 154 Ų | 154 | 153.5 Ų | 153.5 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | | | | 84.1 | 99.9 | 88 | -150.8 | 162 | -119.7 | 0 | 0 | 110.3 | | |
| 394 | E | 29.4 | Very low | 31.1 | Very low | 162 Ų | 162 | 153.2 Ų | 153.2 | 76% | 0.757 | 78% | 0.777 | S | S | * | * | | | | 68.9 | 138.7 | 101 | -91.9 | -170.9 | -164.1 | 0 | 0 | 113.6 | | |
| 395 | N | 32.5 | Very low | 30.5 | Very low | 110 Ų | 110 | 158.9 Ų | 158.9 | 59% | 0.588 | 79% | 0.785 | S | S | * | * | | | cis | -157.9 | 174.3 | 30 | -112.9 | -41.9 | 0 | 0 | 0 | 114.1 | | |
| 396 | H | 31.3 | Very low | 30.6 | Very low | 180 Ų | 180 | 159.4 Ų | 159.4 | 83% | 0.833 | 79% | 0.789 | S | S | * | * | | | trans | -33.5 | 165.3 | 172.6 | -51.2 | -65 | 0 | 0 | 0 | 119.4 | | |
| 397 | G | 30.8 | Very low | 30.7 | Very low | 73 Ų | 73 | 161.3 Ų | 161.3 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | | | cis | -176.5 | 178.1 | 11.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 398 | K | 29 | Very low | 31.2 | Very low | 204 Ų | 204 | 163 Ų | 163 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | | | trans | -100.4 | 150 | -165.3 | -61.5 | 175.7 | 178.1 | 174.3 | 0 | 114.8 | | |
| 399 | S | 29 | Very low | 31.2 | Very low | 110 Ų | 110 | 158.5 Ų | 158.5 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | trans | 35.9 | 115.6 | 143.8 | 62.9 | 0 | 0 | 0 | 0 | 120.2 | | |
| 400 | K | 32.8 | Very low | 31.7 | Very low | 217 Ų | 217 | 163.6 Ų | 163.6 | 94% | 0.943 | 80% | 0.797 | S | S | * | * | | | trans | -119.2 | 157.5 | 141.9 | -81 | -170.3 | 175.2 | -176 | 0 | 109.9 | | |
| 401 | K | 29.2 | Very low | 31.6 | Very low | 177 Ų | 177 | 162.3 Ų | 162.3 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | | | trans | -132.7 | 162.6 | -166.5 | -153.7 | -166 | 170.4 | -158.4 | 0 | 108.6 | | |
| 402 | D | 30.3 | Very low | 32 | Very low | 118 Ų | 118 | 162.3 Ų | 162.3 | 63% | 0.631 | 79% | 0.792 | S | S | * | * | | | trans | 79.7 | 136.5 | 161.6 | -47.6 | -45.4 | 0 | 0 | 0 | 118.9 | | |
| 403 | Q | 30.4 | Very low | 31.9 | Very low | 178 Ų | 178 | 164.9 Ų | 164.9 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | | | trans | 62.8 | 149.1 | 165.2 | -71.2 | 164.8 | -45.4 | 0 | 0 | 117.9 | | |
| 404 | E | 31.3 | Very low | 32.1 | Very low | 171 Ų | 171 | 163.6 Ų | 163.6 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | | | cis | -144.1 | 178.8 | 2 | -155.2 | 158.3 | 170.8 | 0 | 0 | 111.1 | | |
| 405 | R | 26.9 | Very low | 32.2 | Very low | 219 Ų | 219 | 163.1 Ų | 163.1 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | | | trans | -119.7 | 81.7 | -165.8 | -175 | -167.7 | -172.2 | 167.9 | 2 | 111.9 | | |
| 406 | D | 34.3 | Very low | 32.2 | Very low | 160 Ų | 160 | 166 Ų | 166 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | | | trans | -98.2 | 121.6 | 172.6 | -82.6 | -34.1 | 0 | 0 | 0 | 112.9 | | |
| 407 | E | 33.2 | Very low | 32.5 | Very low | 171 Ų | 171 | 165 Ų | 165 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | | | trans | -83.8 | 109.7 | 172.1 | -65.5 | -166.3 | 162.6 | 0 | 0 | 110.9 | | |
| 408 | L | 36 | Very low | 32.5 | Very low | 169 Ų | 169 | 166.4 Ų | 166.4 | 89% | 0.885 | 80% | 0.8 | S | S | * | * | | | trans | -112.5 | 92.8 | 167.1 | -146.6 | 75 | 0 | 0 | 0 | 112.9 | K410 | L408-K410 PolarHBondContact O-N 3.43Š|
| 409 | V | 34.8 | Very low | 32.8 | Very low | 105 Ų | 105 | 165.4 Ų | 165.4 | 64% | 0.636 | 80% | 0.803 | S | S | * | * | | | trans | -8 | 107.4 | 162.4 | -173.2 | 0 | 0 | 0 | 0 | 116.4 | R411 | V409-R411 HydrophobicContact CG1-CG 3.97Å; V409-R411 PolarHBondContact O-N 2.97Å; V409-R411 VanDerWaalsContact O-N 3.09Å |
| 410 | K | 38.4 | Very low | 32.9 | Very low | 201 Ų | 201 | 170.5 Ų | 170.5 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | | | trans | -77.7 | 85.1 | 170.9 | -70.2 | 175.8 | 179.4 | 169.8 | 0 | 112.5 | L408 N412 | L408-K410 PolarHBondContact O-N 3.43Å; K410-N412 PolarHBondContact O-N 2.92Å |
| 411 | R | 32.5 | Very low | 33 | Very low | 221 Ų | 221 | 165.2 Ų | 165.2 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | | | trans | -89.4 | 79.2 | 164.7 | -70.8 | -168.3 | -168.5 | 108.5 | -1.9 | 111.9 | V409 | V409-R411 HydrophobicContact CG1-CG 3.97Å; V409-R411 PolarHBondContact O-N 2.97Å; V409-R411 VanDerWaalsContact O-N 3.09Å |
| 412 | N | 33.9 | Very low | 33.3 | Very low | 154 Ų | 154 | 166.4 Ų | 166.4 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | | | trans | -105.1 | 107.6 | 170.9 | -79.7 | -23.1 | 0 | 0 | 0 | 111.5 | K410 T414 | K410-N412 PolarHBondContact O-N 2.92Å; N412-T414 PolarHBondContact O-N 2.94Å |
| 413 | K | 33.4 | Very low | 33.5 | Very low | 208 Ų | 208 | 169.6 Ų | 169.6 | 90% | 0.904 | 81% | 0.813 | S | S | * | * | | | trans | -55.5 | 128.5 | 178.3 | -89.6 | 168.4 | 169.9 | 166.9 | 0 | 111.8 | H415 | K413-H415 PolarHBondContact O-N 3.42Å; K413-H415 VanDerWaalsContact O-N 3.1Å |
| 414 | T | 34.4 | Very low | 33.7 | Very low | 127 Ų | 127 | 169 Ų | 169 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | | | trans | -59.6 | 107.7 | 172.6 | -50.7 | 0 | 0 | 0 | 0 | 110.9 | N412 | N412-T414 PolarHBondContact O-N 2.94Š|
| 415 | H | 32.6 | Very low | 33.9 | Very low | 153 Ų | 153 | 169.7 Ų | 169.7 | 71% | 0.708 | 82% | 0.816 | S | S | * | * | | | trans | -90.6 | 120.4 | 173.3 | -174.1 | 55.6 | 0 | 0 | 0 | 110.3 | K413 Q417 | K413-H415 PolarHBondContact O-N 3.42Å; K413-H415 VanDerWaalsContact O-N 3.1Å; H415-Q417 PolarHBondContact O-N 3.2Å |
| 416 | H | 31.8 | Very low | 34.4 | Very low | 170 Ų | 170 | 165.1 Ų | 165.1 | 79% | 0.787 | 81% | 0.814 | S | S | * | * | | | trans | -67.6 | 91.4 | -180 | -63.2 | -83.1 | 0 | 0 | 0 | 111.7 | | |
| 417 | Q | 37.3 | Very low | 34.3 | Very low | 159 Ų | 159 | 166.3 Ų | 166.3 | 74% | 0.743 | 81% | 0.814 | S | S | * | * | | | trans | -74 | 125.9 | 170.8 | -80.2 | -68.4 | -7.8 | 0 | 0 | 110.9 | H415 | H415-Q417 PolarHBondContact O-N 3.2Š|
| 418 | S | 32.1 | Very low | 34.4 | Very low | 103 Ų | 103 | 161.2 Ų | 161.2 | 72% | 0.72 | 81% | 0.807 | S | S | * | * | | | trans | -61.7 | 144.8 | -173.8 | -178.8 | 0 | 0 | 0 | 0 | 113.2 | R420 | S418-R420 VanDerWaalsContact C-N 3.31Å; S418-R420 PolarHBondContact O-N 2.67Å |
| 419 | L | 33.5 | Very low | 34.5 | Very low | 182 Ų | 182 | 159 Ų | 159 | 95% | 0.953 | 81% | 0.806 | S | S | * | * | | | trans | -66.7 | 80.8 | 176.8 | -69.4 | 170.7 | 0 | 0 | 0 | 111.6 | | |
| 420 | R | 32.1 | Very low | 34.7 | Very low | 217 Ų | 217 | 161.4 Ų | 161.4 | 82% | 0.819 | 81% | 0.814 | S | S | * | * | | | trans | -111.5 | 91.8 | 174.4 | -158.7 | 165.8 | -174.3 | 167.5 | 0.1 | 111.7 | S418 K422 | S418-R420 VanDerWaalsContact C-N 3.31Å; S418-R420 PolarHBondContact O-N 2.67Å; R420-K422 PolarHBondContact O-N 3.07Å |
| 421 | S | 34.3 | Very low | 35 | Very low | 107 Ų | 107 | 156.1 Ų | 156.1 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | | | trans | 31.8 | 70.8 | 153.9 | 64.7 | 0 | 0 | 0 | 0 | 116.5 | Q423 | S421-Q423 PolarHBondContact O-N 2.91Š|
| 422 | K | 35 | Very low | 35.9 | Very low | 202 Ų | 202 | 148.5 Ų | 148.5 | 88% | 0.878 | 78% | 0.783 | S | S | * | * | | | trans | -74.4 | 117.1 | 160.6 | -75.8 | -76.3 | -179.6 | 174.9 | 0 | 107.9 | R420 | R420-K422 PolarHBondContact O-N 3.07Š|
| 423 | Q | 36.5 | Very low | 36.7 | Very low | 184 Ų | 184 | 150.1 Ų | 150.1 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | | | trans | -53.4 | 143.4 | 175.2 | -69.5 | 163.8 | -57 | 0 | 0 | 110.6 | S421 K425 | S421-Q423 PolarHBondContact O-N 2.91Å; Q423-K425 PolarHBondContact O-N 2.89Å |
| 424 | N | 33.3 | Very low | 37.7 | Very low | 167 Ų | 167 | 147.9 Ų | 147.9 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | | | trans | -54.7 | 102.1 | 177.7 | -60.8 | -32.6 | 0 | 0 | 0 | 110.6 | | |
| 425 | K | 35.3 | Very low | 39.4 | Very low | 185 Ų | 185 | 145.6 Ų | 145.6 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 130.3 | 156.8 | -80 | -169.9 | 172.1 | -171.7 | 0 | 107.1 | Q423 H427 | Q423-K425 PolarHBondContact O-N 2.89Å; K425-H427 PolarHBondContact O-N 3.16Å |
| 426 | P | 37.2 | Very low | 41.1 | Very low | 122 Ų | 122 | 149 Ų | 149 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 131.5 | 177.5 | 25.5 | -33.1 | 0 | 0 | 0 | 109 | G428 | P426-G428 PolarHBondContact O-N 2.76Š|
| 427 | H | 33.3 | Very low | 43.1 | Very low | 186 Ų | 186 | 146.7 Ų | 146.7 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 130.9 | 176.1 | -83.9 | -94.2 | 0 | 0 | 0 | 109.5 | K425 | K425-H427 PolarHBondContact O-N 3.16Š|
| 428 | G | 34.4 | Very low | 45 | Very low | 63 Ų | 63 | 141.4 Ų | 141.4 | 65% | 0.649 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 144.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | P426 I430 | P426-G428 PolarHBondContact O-N 2.76Å; G428-I430 PolarHBondContact O-N 3.04Å |
| 429 | S | 37.9 | Very low | 46.9 | Very low | 123 Ų | 123 | 140.3 Ų | 140.3 | 86% | 0.86 | 74% | 0.735 | S | S | * | * | | | trans | -50.2 | 103.8 | -177 | 38.1 | 0 | 0 | 0 | 0 | 112.6 | S431 | S429-S431 PolarHBondContact O-N 2.76Š|
| 430 | I | 39.7 | Very low | 49 | Very low | 156 Ų | 156 | 140.4 Ų | 140.4 | 80% | 0.8 | 72% | 0.723 | S | S | * | * | | | trans | -64.1 | 118.8 | 163.8 | -56 | 173.5 | 0 | 0 | 0 | 106.2 | G428 S432 | G428-I430 PolarHBondContact O-N 3.04Å; I430-S432 PolarHBondContact O-N 3.29Å |
| 431 | S | 44.7 | Very low | 51.5 | Low | 90 Ų | 90 | 132.7 Ų | 132.7 | 63% | 0.629 | 70% | 0.7 | S | S | * | * | | | trans | -61.9 | 103.4 | -175.5 | -175.9 | 0 | 0 | 0 | 0 | 110.7 | S429 K433 | S429-S431 PolarHBondContact O-N 2.76Å; S431-K433 PolarHBondContact O-N 3.34Å |
| 432 | S | 50.8 | Low | 53.7 | Low | 61 Ų | 61 | 131.4 Ų | 131.4 | 43% | 0.427 | 68% | 0.682 | S | S | . | * | G | 310 helix | trans | -67.4 | 7.7 | -173.5 | -170.3 | 0 | 0 | 0 | 0 | 114.8 | I430 N434 D435 S438 | I430-S432 PolarHBondContact O-N 3.29Å; S432-N434 PolarHBondContact O-N 3.43Å; S432-D435 PolarHBondContact O-N 3.47Å; S432-S438 PolarHBondContact OG-OG 3.18Å |
| 433 | K | 50.3 | Low | 56.1 | Low | 188 Ų | 188 | 126.1 Ų | 126.1 | 82% | 0.817 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -61.5 | -21 | -174 | -71.5 | -169.2 | 174.8 | -174.1 | 0 | 114.6 | S431 | S431-K433 PolarHBondContact O-N 3.34Š|
| 434 | N | 54.9 | Low | 58.2 | Low | 161 Ų | 161 | 119 Ų | 119 | 86% | 0.861 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -114.3 | 13.6 | 177.9 | -66.7 | -7.5 | 0 | 0 | 0 | 113.3 | S432 R436 | S432-N434 PolarHBondContact O-N 3.43Å; N434-R436 PolarHBondContact O-N 2.85Å |
| 435 | D | 70 | Confident | 60.7 | Low | 79 Ų | 79 | 117.4 Ų | 117.4 | 42% | 0.422 | 62% | 0.616 | S | S | . | * | | | trans | -75.9 | 121.5 | -179.7 | -154.1 | -21.5 | 0 | 0 | 0 | 110.4 | S432 I437 S438 S439 | S432-D435 PolarHBondContact O-N 3.47Å; D435-I437 PolarHBondContact O-N 2.88Å; D435-I437 VanDerWaalsContact O-N 3.16Å; D435-S438 WeakPolarHBondContact O-CB 3.29Å; D435-S438 PolarHBondContact O-N 2.94Å; D435-S439 PolarHBondContact O-N 2.98Å |
| 436 | R | 69.3 | Low | 63.1 | Low | 223 Ų | 223 | 115.5 Ų | 115.5 | 84% | 0.842 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63.5 | -27.7 | -170.8 | -155.1 | 176.7 | -169.1 | 175.6 | 3.4 | 111.6 | N434 W440 | N434-R436 PolarHBondContact O-N 2.85Å; R436-W440 WeakPolarHBondContact O-CB 3.41Å; R436-W440 PolarHBondContact O-N 2.97Å; R436-W440 VanDerWaalsContact O-N 3.08Å |
| 437 | I | 74.1 | Confident | 65.1 | Low | 122 Ų | 122 | 115.3 Ų | 115.3 | 63% | 0.626 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -70.4 | -49.1 | 174.6 | -61.3 | 166 | 0 | 0 | 0 | 110.2 | D435 S439 W440 V441 | D435-I437 PolarHBondContact O-N 2.88Å; D435-I437 VanDerWaalsContact O-N 3.16Å; I437-S439 VanDerWaalsContact C-N 3.32Å; I437-S439 PolarHBondContact O-N 2.85Å; I437-W440 PolarHBondContact O-N 3.1Å; I437-W440 VanDerWaalsContact O-N 3.15Å; I437-V441 HydrophobicContact CG2-CG2 4.49Å; I437-V441 WeakPolarHBondContact O-CG2 2.97Å; I437-V441 PolarHBondContact O-N 2.91Å |
| 438 | S | 75.5 | Confident | 67.2 | Low | 49 Ų | 49 | 110 Ų | 110 | 34% | 0.343 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -57.9 | -44.7 | 176.8 | -61 | 0 | 0 | 0 | 0 | 111.2 | S432 D435 W440 V441 E442 | S432-S438 PolarHBondContact OG-OG 3.18Å; D435-S438 WeakPolarHBondContact O-CB 3.29Å; D435-S438 PolarHBondContact O-N 2.94Å; S438-W440 PolarHBondContact O-N 2.77Å; S438-V441 PolarHBondContact O-N 3.2Å; S438-E442 WeakPolarHBondContact O-CB 3.4Å; S438-E442 PolarHBondContact O-N 2.97Å |
| 439 | S | 73.7 | Confident | 69.6 | Low | 80 Ų | 80 | 112.2 Ų | 112.2 | 56% | 0.559 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.8 | -41.7 | 175.2 | -175.5 | 0 | 0 | 0 | 0 | 112.9 | D435 I437 E442 N443 | D435-S439 PolarHBondContact O-N 2.98Å; I437-S439 VanDerWaalsContact C-N 3.32Å; I437-S439 PolarHBondContact O-N 2.85Å; S439-E442 PolarHBondContact O-N 3.36Å; S439-N443 VanDerWaalsContact O-CB 3.26Å; S439-N443 WeakPolarHBondContact O-CB 3.42Å; S439-N443 PolarHBondContact O-N 2.99Å |
| 440 | W | 77.7 | Confident | 71.6 | Confident | 184 Ų | 184 | 110.6 Ų | 110.6 | 70% | 0.697 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67.6 | -39.7 | 177.9 | -175 | 78.9 | 0 | 0 | 0 | 112.9 | R436 I437 S438 S444 | R436-W440 WeakPolarHBondContact O-CB 3.41Å; R436-W440 PolarHBondContact O-N 2.97Å; R436-W440 VanDerWaalsContact O-N 3.08Å; I437-W440 PolarHBondContact O-N 3.1Å; I437-W440 VanDerWaalsContact O-N 3.15Å; S438-W440 PolarHBondContact O-N 2.77Å; W440-S444 WeakPolarHBondContact O-CB 3.4Å; W440-S444 PolarHBondContact O-N 3.31Å; W440-S444 PolarHBondContact O-OG 3.32Å |
| 441 | V | 82.9 | Confident | 73.5 | Confident | 54 Ų | 54 | 106.7 Ų | 106.7 | 33% | 0.327 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 174.7 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | I437 S438 S444 R445 | I437-V441 HydrophobicContact CG2-CG2 4.49Å; I437-V441 WeakPolarHBondContact O-CG2 2.97Å; I437-V441 PolarHBondContact O-N 2.91Å; S438-V441 PolarHBondContact O-N 3.2Å; V441-S444 PolarHBondContact O-N 3.49Å; V441-R445 WeakPolarHBondContact O-CG 3.23Å; V441-R445 PolarHBondContact O-N 3.15Å |
| 442 | E | 80.6 | Confident | 75.2 | Confident | 81 Ų | 81 | 105.9 Ų | 105.9 | 38% | 0.379 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.6 | -40.4 | -180 | -148.2 | 57.6 | -123.7 | 0 | 0 | 111.9 | S438 S439 R445 Y446 R449 | S438-E442 WeakPolarHBondContact O-CB 3.4Å; S438-E442 PolarHBondContact O-N 2.97Å; S439-E442 PolarHBondContact O-N 3.36Å; E442-R445 WeakPolarHBondContact O-CB 3.12Å; E442-R445 PolarHBondContact O-N 3.46Å; E442-R445 IonicContact OE1-NH1 2.69Å; E442-R445 IonicContact OE2-NH1 3.28Å; E442-R445 PolarHBondContact OE2-NH1 3.04Å; E442-Y446 WeakPolarHBondContact O-CD2 3.4Å; E442-Y446 PolarHBondContact O-N 2.95Å; E442-R449 IonicContact OE1-NH2 3.64Å |
| 443 | N | 85.9 | Confident | 76.3 | Confident | 90 Ų | 90 | 110.2 Ų | 110.2 | 48% | 0.481 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.5 | -40 | 175 | -165.3 | 21.3 | 0 | 0 | 0 | 111.9 | S439 R445 Y446 Q447 | S439-N443 VanDerWaalsContact O-CB 3.26Å; S439-N443 WeakPolarHBondContact O-CB 3.42Å; S439-N443 PolarHBondContact O-N 2.99Å; N443-R445 VanDerWaalsContact C-N 3.34Å; N443-R445 PolarHBondContact O-N 3.49Å; N443-Y446 PolarHBondContact O-N 3.35Å; N443-Q447 PolarHBondContact O-N 3.16Å |
| 444 | S | 80.2 | Confident | 77.5 | Confident | 36 Ų | 36 | 105.9 Ų | 105.9 | 25% | 0.252 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 174.3 | -58.8 | 0 | 0 | 0 | 0 | 111.3 | W440 V441 Y446 Q447 T448 | W440-S444 WeakPolarHBondContact O-CB 3.4Å; W440-S444 PolarHBondContact O-N 3.31Å; W440-S444 PolarHBondContact O-OG 3.32Å; V441-S444 PolarHBondContact O-N 3.49Å; S444-Y446 VanDerWaalsContact C-N 3.34Å; S444-Y446 PolarHBondContact O-N 3.01Å; S444-Q447 PolarHBondContact O-N 2.7Å; S444-T448 PolarHBondContact O-N 3.06Å; S444-T448 PolarHBondContact O-OG1 3.15Å; S444-T448 VanDerWaalsContact O-OG1 3.05Å |
| 445 | R | 86.4 | Confident | 78.1 | Confident | 133 Ų | 133 | 101.1 Ų | 101.1 | 50% | 0.502 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.2 | -38.8 | 174.4 | -72.4 | 168.1 | 172 | -177.2 | -4 | 112.5 | V441 E442 N443 R449 | V441-R445 WeakPolarHBondContact O-CG 3.23Å; V441-R445 PolarHBondContact O-N 3.15Å; E442-R445 WeakPolarHBondContact O-CB 3.12Å; E442-R445 PolarHBondContact O-N 3.46Å; E442-R445 IonicContact OE1-NH1 2.69Å; E442-R445 IonicContact OE2-NH1 3.28Å; E442-R445 PolarHBondContact OE2-NH1 3.04Å; N443-R445 VanDerWaalsContact C-N 3.34Å; N443-R445 PolarHBondContact O-N 3.49Å; R445-R449 WeakPolarHBondContact O-CB 3.41Å; R445-R449 WeakPolarHBondContact O-CG 3.36Å; R445-R449 PolarHBondContact O-N 3.48Å; R445-R449 PolarHBondContact O-NE 3.15Å |
| 446 | Y | 85.2 | Confident | 77.8 | Confident | 145 Ų | 145 | 104.7 Ų | 104.7 | 57% | 0.569 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.1 | -43.9 | 174.4 | -98.4 | -79.1 | 0 | 0 | 0 | 112.5 | E442 N443 S444 R449 Q450 | E442-Y446 WeakPolarHBondContact O-CD2 3.4Å; E442-Y446 PolarHBondContact O-N 2.95Å; N443-Y446 PolarHBondContact O-N 3.35Å; S444-Y446 VanDerWaalsContact C-N 3.34Å; S444-Y446 PolarHBondContact O-N 3.01Å; Y446-R449 PolarHBondContact O-N 2.91Å; Y446-Q450 PolarHBondContact O-N 2.83Å |
| 447 | Q | 79.5 | Confident | 77 | Confident | 118 Ų | 118 | 98.1 Ų | 98.1 | 55% | 0.551 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.2 | -43 | 174.8 | -72.6 | -176.7 | -9.9 | 0 | 0 | 112.2 | N443 S444 R449 Q450 L451 | N443-Q447 PolarHBondContact O-N 3.16Å; S444-Q447 PolarHBondContact O-N 2.7Å; Q447-R449 PolarHBondContact O-N 2.86Å; Q447-Q450 PolarHBondContact O-N 2.95Å; Q447-L451 WeakPolarHBondContact O-CG 3.48Å; Q447-L451 PolarHBondContact O-N 3.39Å |
| 448 | T | 78.7 | Confident | 76.2 | Confident | 75 Ų | 75 | 99.4 Ų | 99.4 | 46% | 0.46 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.6 | -39.9 | 174.8 | -52.1 | 0 | 0 | 0 | 0 | 112 | S444 L451 L452 | S444-T448 PolarHBondContact O-N 3.06Å; S444-T448 PolarHBondContact O-OG1 3.15Å; S444-T448 VanDerWaalsContact O-OG1 3.05Å; T448-L451 PolarHBondContact O-N 3.15Å; T448-L452 HydrophobicContact CG2-CD1 4.15Å; T448-L452 VanDerWaalsContact O-CG 3.31Å; T448-L452 WeakPolarHBondContact O-CG 3.25Å; T448-L452 PolarHBondContact O-N 3.29Å; T448-L452 VanDerWaalsContact O-N 3.09Å |
| 449 | R | 83.6 | Confident | 75.1 | Confident | 109 Ų | 109 | 102.4 Ų | 102.4 | 41% | 0.411 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 174.4 | -78.6 | -176.2 | -69.8 | -110.7 | 3.3 | 112.2 | E442 R445 Y446 Q447 L452 Q453 | E442-R449 IonicContact OE1-NH2 3.64Å; R445-R449 WeakPolarHBondContact O-CB 3.41Å; R445-R449 WeakPolarHBondContact O-CG 3.36Å; R445-R449 PolarHBondContact O-N 3.48Å; R445-R449 PolarHBondContact O-NE 3.15Å; Y446-R449 PolarHBondContact O-N 2.91Å; Q447-R449 PolarHBondContact O-N 2.86Å; R449-L452 PolarHBondContact O-N 3.5Å; R449-Q453 WeakPolarHBondContact O-CB 3.46Å; R449-Q453 PolarHBondContact O-N 3.38Å |
| 450 | Q | 80 | Confident | 73.9 | Confident | 88 Ų | 88 | 104.4 Ų | 104.4 | 41% | 0.411 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.6 | -49.9 | 173.6 | -88.5 | -50.2 | 129 | 0 | 0 | 111.9 | Y446 Q447 L452 Q453 D454 | Y446-Q450 PolarHBondContact O-N 2.83Å; Q447-Q450 PolarHBondContact O-N 2.95Å; Q450-L452 PolarHBondContact O-N 2.8Å; Q450-L452 VanDerWaalsContact O-N 3.14Å; Q450-Q453 CarbonylContact O-C 3.55Å; Q450-Q453 WeakPolarHBondContact O-CA 3.38Å; Q450-Q453 PolarHBondContact O-N 2.78Å; Q450-D454 PolarHBondContact NE2-OD1 2.93Å; Q450-D454 PolarHBondContact NE2-OD2 3.41Å; Q450-D454 VanDerWaalsContact NE2-OD2 3.13Å; Q450-D454 VanDerWaalsContact O-CB 3.31Å; Q450-D454 WeakPolarHBondContact O-CB 3.33Å; Q450-D454 PolarHBondContact O-N 2.87Å; Q450-D454 VanDerWaalsContact O-OD2 3.06Å |
| 451 | L | 79 | Confident | 72.3 | Confident | 74 Ų | 74 | 100.9 Ų | 100.9 | 39% | 0.387 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.9 | -29.8 | -179.7 | -69.6 | 167.4 | 0 | 0 | 0 | 113.7 | Q447 T448 M456 I457 | Q447-L451 WeakPolarHBondContact O-CG 3.48Å; Q447-L451 PolarHBondContact O-N 3.39Å; T448-L451 PolarHBondContact O-N 3.15Å; L451-M456 HydrophobicContact CD2-CB 4.47Å; L451-M456 PolarHBondContact O-N 3.06Å; L451-M456 VanDerWaalsContact O-N 3.1Å; L451-I457 HydrophobicContact CB-CD1 3.81Å; L451-I457 HydrophobicContact CB-CG1 4.28Å; L451-I457 HydrophobicContact CD1-CD1 4.3Å; L451-I457 PolarHBondContact O-N 3.37Å |
| 452 | L | 80.3 | Confident | 70.2 | Confident | 74 Ų | 74 | 106.4 Ų | 106.4 | 39% | 0.387 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -75.7 | -37.7 | 171.6 | -71 | 166.6 | 0 | 0 | 0 | 112.5 | T448 R449 Q450 G455 I457 V459 | T448-L452 HydrophobicContact CG2-CD1 4.15Å; T448-L452 VanDerWaalsContact O-CG 3.31Å; T448-L452 WeakPolarHBondContact O-CG 3.25Å; T448-L452 PolarHBondContact O-N 3.29Å; T448-L452 VanDerWaalsContact O-N 3.09Å; R449-L452 PolarHBondContact O-N 3.5Å; Q450-L452 PolarHBondContact O-N 2.8Å; Q450-L452 VanDerWaalsContact O-N 3.14Å; L452-G455 PolarHBondContact O-N 3.13Å; L452-I457 HydrophobicContact CD2-CB 4.18Å; L452-I457 HydrophobicContact CD2-CG2 4.24Å; L452-V459 HydrophobicContact CD2-CG2 4.41Å |
| 453 | Q | 74.3 | Confident | 68 | Low | 151 Ų | 151 | 106.9 Ų | 106.9 | 71% | 0.706 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -75.7 | -31.9 | 179.3 | -174 | 166.9 | -10.8 | 0 | 0 | 112.8 | R449 Q450 G455 | R449-Q453 WeakPolarHBondContact O-CB 3.46Å; R449-Q453 PolarHBondContact O-N 3.38Å; Q450-Q453 CarbonylContact O-C 3.55Å; Q450-Q453 WeakPolarHBondContact O-CA 3.38Å; Q450-Q453 PolarHBondContact O-N 2.78Å; Q453-G455 PolarHBondContact O-N 3.22Å |
| 454 | D | 75.8 | Confident | 65.6 | Low | 97 Ų | 97 | 110.1 Ų | 110.1 | 52% | 0.519 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.7 | 3.1 | 175.3 | -58.7 | -31 | 0 | 0 | 0 | 111.9 | Q450 M456 | Q450-D454 PolarHBondContact NE2-OD1 2.93Å; Q450-D454 PolarHBondContact NE2-OD2 3.41Å; Q450-D454 VanDerWaalsContact NE2-OD2 3.13Å; Q450-D454 VanDerWaalsContact O-CB 3.31Å; Q450-D454 WeakPolarHBondContact O-CB 3.33Å; Q450-D454 PolarHBondContact O-N 2.87Å; Q450-D454 VanDerWaalsContact O-OD2 3.06Å; D454-M456 HydrophobicContact CB-CG 4.24Å; D454-M456 PolarHBondContact O-N 3.36Å |
| 455 | G | 68.6 | Low | 63.6 | Low | 62 Ų | 62 | 112.6 Ų | 112.6 | 64% | 0.639 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.1 | 12.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | L452 Q453 I457 | L452-G455 PolarHBondContact O-N 3.13Å; Q453-G455 PolarHBondContact O-N 3.22Å; G455-I457 VanDerWaalsContact C-N 3.32Å; G455-I457 PolarHBondContact O-N 3Å |
| 456 | M | 62.7 | Low | 61.2 | Low | 154 Ų | 154 | 115 Ų | 115 | 76% | 0.759 | 61% | 0.613 | S | S | * | * | | | trans | -82.4 | -8.7 | -175.7 | -60.3 | -143.8 | 109.5 | 0 | 0 | 113.8 | L451 D454 | L451-M456 HydrophobicContact CD2-CB 4.47Å; L451-M456 PolarHBondContact O-N 3.06Å; L451-M456 VanDerWaalsContact O-N 3.1Å; D454-M456 HydrophobicContact CB-CG 4.24Å; D454-M456 PolarHBondContact O-N 3.36Å |
| 457 | I | 53 | Low | 58.9 | Low | 84 Ų | 84 | 116.6 Ų | 116.6 | 43% | 0.431 | 62% | 0.623 | S | S | . | * | S | Bend | trans | -134.5 | 121.7 | 176.3 | -56.4 | 178.1 | 0 | 0 | 0 | 107.9 | L451 L452 G455 V459 | L451-I457 HydrophobicContact CB-CD1 3.81Å; L451-I457 HydrophobicContact CB-CG1 4.28Å; L451-I457 HydrophobicContact CD1-CD1 4.3Å; L451-I457 PolarHBondContact O-N 3.37Å; L452-I457 HydrophobicContact CD2-CB 4.18Å; L452-I457 HydrophobicContact CD2-CG2 4.24Å; G455-I457 VanDerWaalsContact C-N 3.32Å; G455-I457 PolarHBondContact O-N 3Å; I457-V459 PolarHBondContact O-N 2.91Å |
| 458 | D | 56.4 | Low | 56.9 | Low | 149 Ų | 149 | 115.3 Ų | 115.3 | 80% | 0.797 | 63% | 0.627 | S | S | * | * | | | trans | -58.1 | 133.7 | 175.6 | -98.1 | -36.7 | 0 | 0 | 0 | 111.3 | V460 | D458-V460 PolarHBondContact O-N 2.8Š|
| 459 | V | 52.2 | Low | 55.1 | Low | 113 Ų | 113 | 118.4 Ų | 118.4 | 69% | 0.685 | 64% | 0.641 | S | S | * | * | | | trans | -73.1 | 83.1 | 172.7 | -177 | 0 | 0 | 0 | 0 | 108.5 | L452 I457 P461 | L452-V459 HydrophobicContact CD2-CG2 4.41Å; I457-V459 PolarHBondContact O-N 2.91Å; V459-P461 VanDerWaalsContact O-CD 3.27Å; V459-P461 WeakPolarHBondContact O-CD 3.36Å |
| 460 | V | 48.5 | Very low | 52.8 | Low | 121 Ų | 121 | 120.8 Ų | 120.8 | 73% | 0.733 | 66% | 0.661 | S | S | * | * | | | trans | -59.5 | 118.9 | 167.8 | 179.8 | 0 | 0 | 0 | 0 | 107.5 | D458 Q462 | D458-V460 PolarHBondContact O-N 2.8Å; V460-Q462 PolarHBondContact O-N 2.8Å; V460-Q462 VanDerWaalsContact O-N 3.13Å |
| 461 | P | 44.9 | Very low | 50.9 | Low | 110 Ų | 110 | 121.8 Ų | 121.8 | 71% | 0.714 | 67% | 0.673 | S | S | * | * | | | trans | -57.4 | 123.6 | -178.7 | -25.2 | 34.8 | 0 | 0 | 0 | 109.7 | V459 A463 | V459-P461 VanDerWaalsContact O-CD 3.27Å; V459-P461 WeakPolarHBondContact O-CD 3.36Å; P461-A463 PolarHBondContact O-N 3.08Å |
| 462 | Q | 37.7 | Very low | 48.7 | Very low | 170 Ų | 170 | 128.7 Ų | 128.7 | 79% | 0.794 | 69% | 0.694 | S | S | * | * | | | trans | -64.4 | 99.8 | 178.8 | -170.8 | -177.3 | 36.5 | 0 | 0 | 108.3 | V460 Q464 | V460-Q462 PolarHBondContact O-N 2.8Å; V460-Q462 VanDerWaalsContact O-N 3.13Å; Q462-Q464 PolarHBondContact O-N 3.04Å |
| 463 | A | 34.7 | Very low | 46.4 | Very low | 91 Ų | 91 | 133.9 Ų | 133.9 | 75% | 0.752 | 72% | 0.716 | S | S | * | * | | | trans | -54.7 | 114.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | P461 P465 | P461-A463 PolarHBondContact O-N 3.08Å; A463-P465 WeakPolarHBondContact O-CD 3.41Å; A463-P465 VanDerWaalsContact O-N 3.14Å |
| 464 | Q | 36.1 | Very low | 44.7 | Very low | 158 Ų | 158 | 134.2 Ų | 134.2 | 74% | 0.738 | 72% | 0.718 | S | S | * | * | | | trans | -52.8 | 121.8 | -177.6 | -80.6 | -73.2 | -15.5 | 0 | 0 | 108.6 | Q462 Q466 | Q462-Q464 PolarHBondContact O-N 3.04Å; Q464-Q466 VanDerWaalsContact C-N 3.33Å; Q464-Q466 PolarHBondContact O-N 2.97Å |
| 465 | P | 37.2 | Very low | 42.8 | Very low | 89 Ų | 89 | 134.3 Ų | 134.3 | 58% | 0.578 | 73% | 0.726 | S | S | * | * | | | trans | -65.8 | 100.7 | 175.5 | 26.4 | -31.8 | 0 | 0 | 0 | 107.4 | A463 K467 | A463-P465 WeakPolarHBondContact O-CD 3.41Å; A463-P465 VanDerWaalsContact O-N 3.14Å; P465-K467 PolarHBondContact O-N 2.89Å |
| 466 | Q | 36.5 | Very low | 41.3 | Very low | 182 Ų | 182 | 139.5 Ų | 139.5 | 85% | 0.85 | 74% | 0.738 | S | S | * | * | | | trans | -52.5 | 103.5 | 167.6 | -79.2 | -80.4 | -18.1 | 0 | 0 | 106.8 | Q464 S468 | Q464-Q466 VanDerWaalsContact C-N 3.33Å; Q464-Q466 PolarHBondContact O-N 2.97Å; Q466-S468 PolarHBondContact O-N 3.04Å |
| 467 | K | 37 | Very low | 39.9 | Very low | 180 Ų | 180 | 139 Ų | 139 | 78% | 0.783 | 74% | 0.738 | S | S | * | * | | | trans | -71.1 | 86 | 175.8 | -65.9 | 177.1 | -175.3 | 172.9 | 0 | 106.8 | P465 D469 | P465-K467 PolarHBondContact O-N 2.89Å; K467-D469 PolarHBondContact O-N 3.15Å; K467-D469 VanDerWaalsContact O-N 3.11Å |
| 468 | S | 38.7 | Very low | 38.9 | Very low | 90 Ų | 90 | 142.5 Ų | 142.5 | 63% | 0.629 | 75% | 0.753 | S | S | * | * | | | trans | -62.9 | 110.6 | 157.8 | 44.7 | 0 | 0 | 0 | 0 | 106.4 | Q466 L470 | Q466-S468 PolarHBondContact O-N 3.04Å; S468-L470 PolarHBondContact O-N 2.94Å |
| 469 | D | 39.4 | Very low | 38.1 | Very low | 141 Ų | 141 | 143.5 Ų | 143.5 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | | | trans | -65.1 | 88.3 | 172.7 | -77.4 | -42.1 | 0 | 0 | 0 | 108.2 | K467 T471 | K467-D469 PolarHBondContact O-N 3.15Å; K467-D469 VanDerWaalsContact O-N 3.11Å; D469-T471 PolarHBondContact O-N 3.42Å; D469-T471 PolarHBondContact O-OG1 3.07Å |
| 470 | L | 35.2 | Very low | 37.3 | Very low | 158 Ų | 158 | 145.8 Ų | 145.8 | 83% | 0.827 | 75% | 0.753 | S | S | * | * | | | trans | -67 | 73 | 171.4 | -73.1 | 170.9 | 0 | 0 | 0 | 108.5 | S468 R472 | S468-L470 PolarHBondContact O-N 2.94Å; L470-R472 PolarHBondContact O-N 3.44Å |
| 471 | T | 41.8 | Very low | 36.7 | Very low | 110 Ų | 110 | 146.5 Ų | 146.5 | 68% | 0.675 | 75% | 0.753 | S | S | * | * | | | trans | -54.1 | 108.6 | 170.1 | 28.7 | 0 | 0 | 0 | 0 | 107.3 | D469 H473 | D469-T471 PolarHBondContact O-N 3.42Å; D469-T471 PolarHBondContact O-OG1 3.07Å; T471-H473 PolarHBondContact O-N 3.36Å |
| 472 | R | 31.4 | Very low | 36 | Very low | 219 Ų | 219 | 146.4 Ų | 146.4 | 83% | 0.826 | 76% | 0.755 | S | S | * | * | | | trans | -54.1 | 106.7 | 179 | -180 | -173.3 | -60.4 | -155 | 0.1 | 108 | L470 Q474 | L470-R472 PolarHBondContact O-N 3.44Å; R472-Q474 VanDerWaalsContact C-N 3.29Å; R472-Q474 PolarHBondContact O-N 2.93Å |
| 473 | H | 33 | Very low | 35.7 | Very low | 182 Ų | 182 | 149 Ų | 149 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | | | trans | -58.7 | 95.2 | 174.3 | -71.2 | -83.2 | 0 | 0 | 0 | 108.8 | T471 S475 | T471-H473 PolarHBondContact O-N 3.36Å; H473-S475 PolarHBondContact O-N 3.47Å; H473-S475 VanDerWaalsContact O-N 3.12Å |
| 474 | Q | 39 | Very low | 35.7 | Very low | 159 Ų | 159 | 155.6 Ų | 155.6 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | | | trans | -61 | 113 | 167.4 | -72.9 | -88.4 | 2.4 | 0 | 0 | 105.8 | R472 L476 | R472-Q474 VanDerWaalsContact C-N 3.29Å; R472-Q474 PolarHBondContact O-N 2.93Å; Q474-L476 PolarHBondContact O-N 3.32Å |
| 475 | S | 34.1 | Very low | 35.6 | Very low | 99 Ų | 99 | 154 Ų | 154 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | | | trans | -52.1 | 110.7 | 176.4 | 49.9 | 0 | 0 | 0 | 0 | 109.2 | H473 N477 | H473-S475 PolarHBondContact O-N 3.47Å; H473-S475 VanDerWaalsContact O-N 3.12Å; S475-N477 PolarHBondContact O-N 3.06Å |
| 476 | L | 37.7 | Very low | 35.5 | Very low | 171 Ų | 171 | 157.2 Ų | 157.2 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | | | trans | -63.2 | 104.4 | 172.4 | -73.3 | 172.7 | 0 | 0 | 0 | 107.4 | Q474 E478 | Q474-L476 PolarHBondContact O-N 3.32Å; L476-E478 PolarHBondContact O-N 3.16Å |
| 477 | N | 34.3 | Very low | 35.3 | Very low | 142 Ų | 142 | 155.7 Ų | 155.7 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | | | trans | -61.9 | 103.6 | 169.4 | -94.5 | -41 | 0 | 0 | 0 | 107.7 | S475 K479 | S475-N477 PolarHBondContact O-N 3.06Å; N477-K479 PolarHBondContact O-N 2.99Å |
| 478 | E | 30.9 | Very low | 35.3 | Very low | 158 Ų | 158 | 156.7 Ų | 156.7 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | | | trans | -66.7 | 75.5 | 178 | -166.8 | -171.8 | 151.4 | 0 | 0 | 110.2 | L476 Q480 | L476-E478 PolarHBondContact O-N 3.16Å; E478-Q480 HydrophobicContact CG-CG 4.31Å; E478-Q480 PolarHBondContact O-N 2.97Å; E478-Q480 PolarHBondContact OE1-NE2 3.02Å |
| 479 | K | 40.1 | Very low | 35.1 | Very low | 170 Ų | 170 | 160.8 Ų | 160.8 | 74% | 0.739 | 79% | 0.792 | S | S | * | * | | | trans | -74 | 95.8 | 168.7 | -72.6 | -170.1 | 176.9 | -176.3 | 0 | 108 | N477 N481 | N477-K479 PolarHBondContact O-N 2.99Å; K479-N481 PolarHBondContact O-N 3.25Å |
| 480 | Q | 34.6 | Very low | 34.9 | Very low | 161 Ų | 161 | 163.4 Ų | 163.4 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | | | trans | -64.5 | 73.7 | 168.3 | -64.6 | -169.8 | -5.7 | 0 | 0 | 110.7 | E478 S482 | E478-Q480 HydrophobicContact CG-CG 4.31Å; E478-Q480 PolarHBondContact O-N 2.97Å; E478-Q480 PolarHBondContact OE1-NE2 3.02Å; Q480-S482 PolarHBondContact O-N 3.43Å |
| 481 | N | 37.6 | Very low | 34.9 | Very low | 137 Ų | 137 | 166.6 Ų | 166.6 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | | | trans | -79.8 | 112.9 | 166.3 | -79.1 | -1.4 | 0 | 0 | 0 | 107.7 | K479 | K479-N481 PolarHBondContact O-N 3.25Š|
| 482 | S | 28.7 | Very low | 34.4 | Very low | 108 Ų | 108 | 172.6 Ų | 172.6 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | | | trans | -62.5 | 136.8 | -173.7 | 50.1 | 0 | 0 | 0 | 0 | 112.5 | Q480 R484 | Q480-S482 PolarHBondContact O-N 3.43Å; S482-R484 PolarHBondContact O-N 3.04Å |
| 483 | Y | 31.5 | Very low | 34.4 | Very low | 223 Ų | 223 | 169.6 Ų | 169.6 | 88% | 0.875 | 80% | 0.804 | S | S | * | * | | | trans | -66.6 | 88.6 | 176.3 | -67.3 | -93.3 | 0 | 0 | 0 | 110.9 | T485 | Y483-T485 PolarHBondContact O-N 2.87Š|
| 484 | R | 34.5 | Very low | 34.4 | Very low | 230 Ų | 230 | 166 Ų | 166 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | | | trans | -81.5 | 96.4 | 159.5 | -92.9 | -169.5 | 172.3 | -167.6 | -1.5 | 109.4 | S482 N486 | S482-R484 PolarHBondContact O-N 3.04Å; R484-N486 PolarHBondContact O-N 3.32Å |
| 485 | T | 34.1 | Very low | 34.2 | Very low | 125 Ų | 125 | 164.8 Ų | 164.8 | 77% | 0.767 | 80% | 0.796 | S | S | * | * | | | trans | -63.1 | 87.7 | 173.4 | 45.6 | 0 | 0 | 0 | 0 | 111.6 | Y483 N487 | Y483-T485 PolarHBondContact O-N 2.87Å; T485-N487 PolarHBondContact O-N 2.96Å |
| 486 | N | 36.5 | Very low | 34.2 | Very low | 157 Ų | 157 | 167.9 Ų | 167.9 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | | | trans | -74.6 | 82.1 | 167.9 | -87.8 | -7.4 | 0 | 0 | 0 | 110.2 | R484 K488 | R484-N486 PolarHBondContact O-N 3.32Å; N486-K488 VanDerWaalsContact C-N 3.33Å; N486-K488 PolarHBondContact O-N 3.45Å |
| 487 | N | 32.1 | Very low | 34.1 | Very low | 149 Ų | 149 | 165 Ų | 165 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | | | trans | -70.4 | 81.7 | 176.1 | -174.4 | 18.7 | 0 | 0 | 0 | 111.3 | T485 | T485-N487 PolarHBondContact O-N 2.96Š|
| 488 | K | 36.1 | Very low | 33.9 | Very low | 202 Ų | 202 | 163.9 Ų | 163.9 | 88% | 0.878 | 80% | 0.799 | S | S | * | * | | | trans | -139.1 | 68.8 | 167.9 | -73.6 | -165.2 | 176.3 | -175.6 | 0 | 111.5 | N486 | N486-K488 VanDerWaalsContact C-N 3.33Å; N486-K488 PolarHBondContact O-N 3.45Å |
| 489 | M | 34.1 | Very low | 34.1 | Very low | 176 Ų | 176 | 167.5 Ų | 167.5 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | | | trans | -99.4 | 162.4 | 152.5 | -83.9 | -167.6 | 168 | 0 | 0 | 109.7 | | |
| 490 | K | 36.2 | Very low | 33.9 | Very low | 196 Ų | 196 | 167.4 Ų | 167.4 | 85% | 0.852 | 81% | 0.808 | S | S | * | * | | | trans | 79.3 | 77.8 | -175.1 | -52.1 | -174.4 | 179.7 | -173.7 | 0 | 115.4 | | |
| 491 | Y | 35.8 | Very low | 34.1 | Very low | 224 Ų | 224 | 165.5 Ų | 165.5 | 88% | 0.878 | 81% | 0.81 | S | S | * | * | | | | -145.1 | 115.9 | 111.3 | -103.2 | -80.1 | 0 | 0 | 0 | 108.2 | | |
| 492 | R | 29.5 | Very low | 33.8 | Very low | 236 Ų | 236 | 167.2 Ų | 167.2 | 89% | 0.891 | 82% | 0.817 | S | S | * | * | | | trans | -116.5 | 122.6 | 163.9 | -84.7 | -174.6 | 173.9 | 178.2 | -2.6 | 105.8 | | |
| 493 | H | 32.7 | Very low | 34 | Very low | 157 Ų | 157 | 171 Ų | 171 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | | | trans | -113.7 | 116.6 | 155.9 | -103.2 | -79.9 | 0 | 0 | 0 | 106.7 | D495 | H493-D495 IonicContact ND1-OD2 3.82Š|
| 494 | P | 32.3 | Very low | 33.9 | Very low | 106 Ų | 106 | 168.4 Ų | 168.4 | 69% | 0.688 | 81% | 0.814 | S | S | * | * | | | trans | -111.7 | 74.1 | -177.4 | 38.8 | -27.4 | 0 | 0 | 0 | 111.6 | | |
| 495 | D | 35.9 | Very low | 33.8 | Very low | 134 Ų | 134 | 163 Ų | 163 | 72% | 0.717 | 80% | 0.802 | S | S | * | * | | | trans | -136.5 | 93.3 | 178.7 | -59.8 | -69.5 | 0 | 0 | 0 | 110 | H493 | H493-D495 IonicContact ND1-OD2 3.82Š|
| 496 | D | 33.5 | Very low | 33.5 | Very low | 163 Ų | 163 | 163 Ų | 163 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | | | | 179.8 | 132.6 | 111.3 | -129.4 | -15.8 | 0 | 0 | 0 | 111.2 | | |
| 497 | P | 35.3 | Very low | 33.4 | Very low | 111 Ų | 111 | 163 Ų | 163 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | | | trans | -98 | 156.7 | -175 | 36.6 | -32.3 | 0 | 0 | 0 | 114.9 | | |
| 498 | S | 30.9 | Very low | 33 | Very low | 119 Ų | 119 | 161.9 Ų | 161.9 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | | | trans | -49.9 | 127.9 | 178.3 | 55.8 | 0 | 0 | 0 | 0 | 116.8 | | |
| 499 | R | 34.2 | Very low | 32.8 | Very low | 234 Ų | 234 | 156.4 Ų | 156.4 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | | | trans | -158.2 | 138.9 | 157 | -93.7 | 172 | -169.4 | -118.6 | 4.7 | 105.8 | | |
| 500 | E | 37.2 | Very low | 32.6 | Very low | 167 Ų | 167 | 154.9 Ų | 154.9 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | | | cis | -140.2 | 160.4 | 13 | -61.7 | -171.1 | 127.1 | 0 | 0 | 112 | | |
| 501 | P | 38.3 | Very low | 32.2 | Very low | 122 Ų | 122 | 154 Ų | 154 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | | | trans | -85 | 139.2 | 177.7 | 32.9 | -34 | 0 | 0 | 0 | 114.2 | | |
| 502 | I | 30.4 | Very low | 32.1 | Very low | 173 Ų | 173 | 153.2 Ų | 153.2 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | | | trans | -61.5 | 137.2 | -179.2 | -62.3 | 157.4 | 0 | 0 | 0 | 112 | | |
| 503 | K | 33.5 | Very low | 32.1 | Very low | 186 Ų | 186 | 149.2 Ų | 149.2 | 81% | 0.809 | 79% | 0.788 | S | S | * | * | | | trans | -120.4 | 120.6 | 167.6 | -77.5 | -175.6 | -179.3 | 171.7 | 0 | 111.9 | | |
| 504 | K | 29.6 | Very low | 32.1 | Very low | 170 Ų | 170 | 147.2 Ų | 147.2 | 74% | 0.739 | 79% | 0.789 | S | S | * | * | | | trans | 74.4 | 136.2 | 130.7 | -74.6 | -163.3 | 169.1 | -156.4 | 0 | 121.7 | | |
| 505 | D | 32.8 | Very low | 32.1 | Very low | 117 Ų | 117 | 148.4 Ų | 148.4 | 63% | 0.626 | 79% | 0.794 | S | S | * | * | | | trans | 65.7 | 90.7 | 145.5 | -45.9 | -15.4 | 0 | 0 | 0 | 116.2 | | |
| 506 | S | 28 | Very low | 31.8 | Very low | 125 Ų | 125 | 151.1 Ų | 151.1 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | | | | 61 | 80.2 | 75.8 | -55.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 507 | I | 34 | Very low | 31.7 | Very low | 157 Ų | 157 | 149 Ų | 149 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | | | trans | -115.9 | 125.1 | 167.8 | -62.1 | 176.3 | 0 | 0 | 0 | 108 | | |
| 508 | S | 23.2 | Very low | 31.5 | Very low | 124 Ų | 124 | 152 Ų | 152 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | | | trans | -136 | 94.7 | -177.6 | 165.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 509 | S | 31.1 | Very low | 31.5 | Very low | 87 Ų | 87 | 152.5 Ų | 152.5 | 61% | 0.608 | 80% | 0.797 | S | S | * | * | | | trans | -177.3 | 147.9 | 172.6 | 53.9 | 0 | 0 | 0 | 0 | 106.8 | | |
| 510 | D | 30.6 | Very low | 31.4 | Very low | 145 Ų | 145 | 147.8 Ų | 147.8 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | | | cis | -161.8 | 161.9 | -15.8 | -111.9 | -46.7 | 0 | 0 | 0 | 107.5 | | |
| 511 | Q | 27.5 | Very low | 31 | Very low | 176 Ų | 176 | 146 Ų | 146 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | | | trans | -7 | 132.3 | 166.8 | -59.7 | 173.1 | -20.4 | 0 | 0 | 120.1 | | |
| 512 | K | 33.3 | Very low | 30.6 | Very low | 209 Ų | 209 | 147.8 Ų | 147.8 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | | | | -167.8 | 159.3 | 124.4 | -106.8 | 166.7 | -172.4 | -179.7 | 0 | 114.2 | | |
| 513 | D | 29.9 | Very low | 30.6 | Very low | 151 Ų | 151 | 146.4 Ų | 146.4 | 81% | 0.807 | 78% | 0.777 | S | S | * | * | | | trans | -69.5 | 162.2 | -161.5 | -77.3 | -64.5 | 0 | 0 | 0 | 118.2 | | |
| 514 | P | 32.6 | Very low | 30.6 | Very low | 115 Ų | 115 | 146.4 Ų | 146.4 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | | | trans | -91.9 | 146.6 | 177.5 | 36.5 | -33.8 | 0 | 0 | 0 | 113.6 | | |
| 515 | T | 32.6 | Very low | 30.6 | Very low | 131 Ų | 131 | 148.3 Ų | 148.3 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -149.7 | 136.1 | 166.3 | -20.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 516 | K | 30.1 | Very low | 30.7 | Very low | 191 Ų | 191 | 148.8 Ų | 148.8 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | | | trans | 86.5 | 119.9 | 163.7 | -56.1 | -167.1 | 177.4 | -179.7 | 0 | 118.9 | | |
| 517 | P | 30.3 | Very low | 30.9 | Very low | 120 Ų | 120 | 150.1 Ų | 150.1 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | | | trans | -89.7 | 173.8 | 167.6 | 39 | -34.8 | 0 | 0 | 0 | 111.6 | | |
| 518 | L | 32.4 | Very low | 30.7 | Very low | 172 Ų | 172 | 150.9 Ų | 150.9 | 90% | 0.901 | 80% | 0.796 | S | S | * | * | | | trans | -134.2 | 104.8 | 166.6 | -157.3 | 138.2 | 0 | 0 | 0 | 110.1 | | |
| 519 | D | 30.7 | Very low | 31 | Very low | 130 Ų | 130 | 151.5 Ų | 151.5 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | | | trans | -71.5 | 143.4 | 170.4 | -78 | -56 | 0 | 0 | 0 | 111.2 | | |
| 520 | N | 31 | Very low | 31 | Very low | 136 Ų | 136 | 156 Ų | 156 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | | -177.2 | 127.8 | 116.3 | -98.8 | -41.5 | 0 | 0 | 0 | 114.2 | | |
| 521 | N | 30.2 | Very low | 31.2 | Very low | 130 Ų | 130 | 156.3 Ų | 156.3 | 70% | 0.695 | 80% | 0.799 | S | S | * | * | | | trans | 45.2 | 118.1 | 144 | -56 | -39.7 | 0 | 0 | 0 | 121 | | |
| 522 | Q | 28.3 | Very low | 31.2 | Very low | 159 Ų | 159 | 154.6 Ų | 154.6 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | | | cis | 82.2 | 132.6 | 46.4 | -68.9 | -98.1 | 49.2 | 0 | 0 | 115.4 | | |
| 523 | L | 30.2 | Very low | 31.2 | Very low | 144 Ų | 144 | 153.2 Ų | 153.2 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | | | trans | 66.1 | 142.8 | 168.3 | -83.8 | 75.7 | 0 | 0 | 0 | 115.9 | | |
| 524 | K | 35.1 | Very low | 31 | Very low | 185 Ų | 185 | 154.6 Ų | 154.6 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | cis | -136.3 | 140 | 24.6 | -64.3 | 171.9 | -178.2 | 177.6 | 0 | 112.5 | | |
| 525 | K | 28.7 | Very low | 30.8 | Very low | 210 Ų | 210 | 158.3 Ų | 158.3 | 91% | 0.913 | 79% | 0.793 | S | S | * | * | | | trans | -112.4 | 124.5 | 152.7 | -75.1 | 179.3 | 177.6 | 176.6 | 0 | 107.2 | | |
| 526 | T | 35.7 | Very low | 30.6 | Very low | 127 Ų | 127 | 156.9 Ų | 156.9 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | | | trans | -151.3 | 137.2 | 162.3 | 43 | 0 | 0 | 0 | 0 | 108.7 | | |
| 527 | D | 31.3 | Very low | 30.6 | Very low | 154 Ų | 154 | 155.4 Ų | 155.4 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | | | trans | -72 | 157.9 | -172.4 | -49.7 | -87.4 | 0 | 0 | 0 | 113.2 | | |
| 528 | N | 29.8 | Very low | 30.5 | Very low | 173 Ų | 173 | 155.2 Ų | 155.2 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | | | trans | -154 | 135.3 | 140.6 | -113.7 | -38.5 | 0 | 0 | 0 | 111 | | |
| 529 | L | 30 | Very low | 30.3 | Very low | 137 Ų | 137 | 153.5 Ų | 153.5 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | | | trans | -126.6 | 120.4 | -166 | -163.5 | 129.6 | 0 | 0 | 0 | 109.6 | | |
| 530 | K | 30.4 | Very low | 30.2 | Very low | 181 Ų | 181 | 155 Ų | 155 | 79% | 0.787 | 77% | 0.771 | S | S | * | * | | | trans | 54.4 | 119.7 | 167.6 | -60.5 | 174.2 | -173.4 | 169.2 | 0 | 116.9 | | |
| 531 | D | 35 | Very low | 30.1 | Very low | 152 Ų | 152 | 155.5 Ų | 155.5 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | | | trans | -139.5 | 151.3 | 133.1 | -134.2 | -26.8 | 0 | 0 | 0 | 112.5 | | |
| 532 | I | 28 | Very low | 30 | Very low | 139 Ų | 139 | 156.1 Ų | 156.1 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | | | trans | -112.3 | 107.7 | -173.7 | -63.8 | 172.7 | 0 | 0 | 0 | 108.7 | | |
| 533 | H | 32.4 | Very low | 30.1 | Very low | 181 Ų | 181 | 154.2 Ų | 154.2 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | | | trans | -125.1 | 118.8 | 166.4 | -94.9 | -90.8 | 0 | 0 | 0 | 112.7 | | |
| 534 | K | 26.7 | Very low | 30.5 | Very low | 179 Ų | 179 | 157.5 Ų | 157.5 | 78% | 0.778 | 77% | 0.765 | S | S | * | * | | | trans | -96.8 | 155 | 163.9 | -68.7 | 179.2 | 175.1 | 177.7 | 0 | 109.1 | | |
| 535 | K | 29.2 | Very low | 30.3 | Very low | 194 Ų | 194 | 156.8 Ų | 156.8 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | | | trans | 100.9 | 149.9 | 156.7 | -59.7 | 179.7 | 175.8 | 179.7 | 0 | 117.4 | | |
| 536 | S | 26.7 | Very low | 30.5 | Very low | 100 Ų | 100 | 156.3 Ų | 156.3 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | | | trans | 57.1 | 109.3 | 167.8 | 53.5 | 0 | 0 | 0 | 0 | 117.6 | | |
| 537 | M | 31 | Very low | 30.4 | Very low | 160 Ų | 160 | 158.8 Ų | 158.8 | 79% | 0.788 | 77% | 0.768 | S | S | * | * | | | | -163 | 133 | 103.9 | -92.9 | -43.4 | 164.7 | 0 | 0 | 110.4 | | |
| 538 | T | 28.2 | Very low | 30.6 | Very low | 117 Ų | 117 | 158.5 Ų | 158.5 | 72% | 0.718 | 77% | 0.766 | S | S | * | * | | | trans | 27.6 | 147.1 | 133.3 | 41.3 | 0 | 0 | 0 | 0 | 120.4 | | |
| 539 | E | 27.7 | Very low | 30.7 | Very low | 136 Ų | 136 | 157.3 Ų | 157.3 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | | | cis | 177.1 | 159.2 | 6.8 | 155.9 | -175.6 | -135.2 | 0 | 0 | 110.3 | | |
| 540 | K | 28.9 | Very low | 31 | Very low | 161 Ų | 161 | 158.5 Ų | 158.5 | 70% | 0.7 | 77% | 0.765 | S | S | * | * | | | trans | 63 | 154.9 | 164.9 | -72.6 | 157.1 | -172.4 | 146.9 | 0 | 117.1 | | |
| 541 | Q | 28.7 | Very low | 31 | Very low | 147 Ų | 147 | 154.9 Ų | 154.9 | 69% | 0.687 | 76% | 0.76 | S | S | * | * | | | cis | -161.8 | 165.2 | -14.4 | -107.7 | -78.2 | 13.8 | 0 | 0 | 110.8 | | |
| 542 | H | 27.8 | Very low | 30.6 | Very low | 143 Ų | 143 | 157.5 Ų | 157.5 | 66% | 0.662 | 76% | 0.764 | S | S | * | * | | | trans | 49.9 | 99.3 | 157.9 | -87.7 | -70 | 0 | 0 | 0 | 122.9 | | |
| 543 | D | 31.7 | Very low | 31 | Very low | 118 Ų | 118 | 157.4 Ų | 157.4 | 63% | 0.631 | 77% | 0.77 | S | S | * | * | | | | 96.1 | 154.5 | 98.6 | -131.7 | -11.1 | 0 | 0 | 0 | 124.1 | | |
| 544 | R | 37.3 | Very low | 31.1 | Very low | 214 Ų | 214 | 154.1 Ų | 154.1 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | | | trans | 69 | 72.5 | 162.2 | -59.2 | 176.9 | -166.6 | -168.4 | 3.4 | 118.3 | | |
| 545 | N | 31.5 | Very low | 31.2 | Very low | 169 Ų | 169 | 153.1 Ų | 153.1 | 90% | 0.904 | 76% | 0.761 | S | S | * | * | | | trans | -117.9 | 101.4 | 145.8 | -95.7 | -53.1 | 0 | 0 | 0 | 110.3 | K547 | N545-K547 PolarHBondContact O-N 3.49Š|
| 546 | K | 33 | Very low | 31.4 | Very low | 201 Ų | 201 | 151.6 Ų | 151.6 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | | | trans | -80.3 | 109.3 | 168.7 | -116 | -175.3 | 177.4 | -174.5 | 0 | 108.4 | | |
| 547 | K | 33.9 | Very low | 31.6 | Very low | 179 Ų | 179 | 154.3 Ų | 154.3 | 78% | 0.778 | 76% | 0.756 | S | S | * | * | | | trans | -148.5 | 99.3 | 166.5 | -159.8 | 168.9 | -171.1 | 173.8 | 0 | 110.2 | N545 N549 | N545-K547 PolarHBondContact O-N 3.49Å; K547-N549 PolarHBondContact O-N 3.5Å |
| 548 | D | 34.7 | Very low | 31.5 | Very low | 148 Ų | 148 | 154.2 Ų | 154.2 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | | | trans | -64.3 | 116.1 | -178.4 | -56.4 | -64.1 | 0 | 0 | 0 | 110.3 | | |
| 549 | N | 32.6 | Very low | 31.5 | Very low | 147 Ų | 147 | 155 Ų | 155 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | | | trans | -104 | 113.5 | 170.2 | -83.4 | -73.4 | 0 | 0 | 0 | 108.5 | K547 | K547-N549 PolarHBondContact O-N 3.5Š|
| 550 | I | 34.8 | Very low | 31.5 | Very low | 162 Ų | 162 | 155.9 Ų | 155.9 | 83% | 0.831 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -72 | 141.2 | 168.6 | -72.1 | 178.1 | 0 | 0 | 0 | 108.6 | | |
| 551 | P | 30.6 | Very low | 31.4 | Very low | 106 Ų | 106 | 156.7 Ų | 156.7 | 69% | 0.688 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 160.9 | -149.7 | 33.3 | -36.9 | 0 | 0 | 0 | 114.8 | | |
| 552 | K | 28.2 | Very low | 31.4 | Very low | 206 Ų | 206 | 159.4 Ų | 159.4 | 90% | 0.896 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 126 | 170.3 | -62.4 | 169.8 | 179.8 | 173.9 | 0 | 110.1 | | |
| 553 | T | 35.3 | Very low | 31.3 | Very low | 137 Ų | 137 | 157.5 Ų | 157.5 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | | | trans | -102.3 | 106.5 | 161.6 | 36.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 554 | T | 34 | Very low | 31 | Very low | 113 Ų | 113 | 157.2 Ų | 157.2 | 69% | 0.693 | 77% | 0.768 | S | S | * | * | | | trans | -18.2 | 126.1 | 154.7 | -40.1 | 0 | 0 | 0 | 0 | 117.3 | | |
| 555 | E | 30 | Very low | 30.6 | Very low | 157 Ų | 157 | 155.4 Ų | 155.4 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | | | trans | 40.6 | 122.5 | 137.2 | -50.3 | 173.3 | -176.7 | 0 | 0 | 121.7 | | |
| 556 | H | 33.3 | Very low | 30.4 | Very low | 162 Ų | 162 | 152.4 Ų | 152.4 | 75% | 0.75 | 77% | 0.766 | S | S | * | * | | | | -166.2 | 142.6 | 104.1 | -99.6 | -17.6 | 0 | 0 | 0 | 114.6 | | |
| 557 | K | 29.8 | Very low | 30.5 | Very low | 157 Ų | 157 | 148.4 Ų | 148.4 | 68% | 0.683 | 76% | 0.761 | S | S | * | * | | | trans | 19.2 | 122.9 | 150.7 | -66.3 | 179.4 | 179.5 | 177.8 | 0 | 119.6 | | |
| 558 | Q | 29.4 | Very low | 30.1 | Very low | 159 Ų | 159 | 151.4 Ų | 151.4 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | | | | 62.5 | 143 | 101.5 | -62.1 | 178 | -50.7 | 0 | 0 | 115.5 | | |
| 559 | E | 28.4 | Very low | 29.7 | Very low | 132 Ų | 132 | 152.6 Ų | 152.6 | 62% | 0.617 | 77% | 0.768 | S | S | * | * | | | cis | -163.1 | 151.7 | -11.7 | -113.4 | -163.3 | 162 | 0 | 0 | 108 | | |
| 560 | K | 28.2 | Very low | 29.5 | Very low | 155 Ų | 155 | 154.2 Ų | 154.2 | 67% | 0.674 | 77% | 0.771 | S | S | * | * | | | trans | 43.1 | 99.3 | 144 | -61.3 | 173.2 | -172.6 | 143.1 | 0 | 119.5 | | |
| 561 | K | 26.9 | Very low | 29 | Very low | 178 Ų | 178 | 155.1 Ų | 155.1 | 77% | 0.774 | 77% | 0.771 | S | S | * | * | | | | 162.7 | 145.5 | 99.6 | -92.1 | 177.8 | -179.8 | 179.1 | 0 | 114 | | |
| 562 | Y | 27.2 | Very low | 29.1 | Very low | 204 Ų | 204 | 155.6 Ų | 155.6 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | | | trans | 22.7 | 104.4 | 150.5 | -61.2 | -73 | 0 | 0 | 0 | 117.6 | | |
| 563 | S | 26 | Very low | 29.2 | Very low | 104 Ų | 104 | 150.4 Ų | 150.4 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | | 104.3 | 151.7 | 76.8 | -85.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 564 | P | 26.9 | Very low | 29.1 | Very low | 112 Ų | 112 | 151.9 Ų | 151.9 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | trans | -86.7 | 125.6 | -148.8 | 31.8 | -34.9 | 0 | 0 | 0 | 113 | | |
| 565 | N | 27.1 | Very low | 28.8 | Very low | 175 Ų | 175 | 155.1 Ų | 155.1 | 94% | 0.936 | 77% | 0.774 | S | S | * | * | | | trans | -114.9 | 92.3 | 142.7 | -88.5 | -23.6 | 0 | 0 | 0 | 107.2 | | |
| 566 | S | 28.1 | Very low | 28.8 | Very low | 106 Ų | 106 | 151.6 Ų | 151.6 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | | | trans | -122.7 | 145.1 | 167.9 | -165.4 | 0 | 0 | 0 | 0 | 107.7 | | |
| 567 | P | 35.3 | Very low | 28.7 | Very low | 118 Ų | 118 | 151.6 Ų | 151.6 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | | | | -128.1 | 152.5 | -51.1 | 34.6 | -22.4 | 0 | 0 | 0 | 111 | | |
| 568 | R | 24.7 | Very low | 28.7 | Very low | 242 Ų | 242 | 151.9 Ų | 151.9 | 91% | 0.913 | 79% | 0.786 | S | S | * | * | | | trans | -118.7 | 90.2 | 165.8 | -174.6 | -175.4 | -176.7 | -175.8 | 1.9 | 109.5 | | |
| 569 | Q | 27.7 | Very low | 28.7 | Very low | 173 Ų | 173 | 151.4 Ų | 151.4 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | | | trans | 170.1 | 100.9 | 152.4 | -100 | 169.6 | 60.5 | 0 | 0 | 109.8 | | |
| 570 | Q | 27.9 | Very low | 28.9 | Very low | 181 Ų | 181 | 153 Ų | 153 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | | | | 178.5 | 149.5 | 105.6 | -91.5 | 174 | 7.8 | 0 | 0 | 110.2 | | |
| 571 | H | 25 | Very low | 29.1 | Very low | 180 Ų | 180 | 151 Ų | 151 | 83% | 0.833 | 80% | 0.801 | S | S | * | * | | | trans | -71.8 | 167.8 | -178.8 | -74.7 | -101 | 0 | 0 | 0 | 111 | | |
| 572 | P | 33 | Very low | 29.4 | Very low | 117 Ų | 117 | 150.6 Ų | 150.6 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | | | cis | -138.2 | 147.1 | 23.4 | 38.7 | -19.4 | 0 | 0 | 0 | 117.7 | | |
| 573 | S | 30.1 | Very low | 29.6 | Very low | 96 Ų | 96 | 149.7 Ų | 149.7 | 67% | 0.671 | 81% | 0.805 | S | S | * | * | | | trans | -109.1 | 109.7 | 162.2 | 52.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 574 | N | 32.3 | Very low | 29.9 | Very low | 169 Ų | 169 | 149.6 Ų | 149.6 | 90% | 0.904 | 80% | 0.804 | S | S | * | * | | | trans | -76.9 | 120.4 | 163 | -72 | -20.8 | 0 | 0 | 0 | 107.6 | | |
| 575 | E | 28.2 | Very low | 30 | Very low | 180 Ų | 180 | 150.6 Ų | 150.6 | 84% | 0.841 | 81% | 0.808 | S | S | * | * | | | trans | -138.9 | 148.7 | -178 | -165.8 | 169.1 | -134.5 | 0 | 0 | 109 | | |
| 576 | A | 30.3 | Very low | 30.1 | Very low | 83 Ų | 83 | 150.7 Ų | 150.7 | 69% | 0.686 | 80% | 0.803 | S | S | * | * | | | trans | 63.5 | 110.1 | -166.6 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 577 | N | 31 | Very low | 30 | Very low | 163 Ų | 163 | 149.6 Ų | 149.6 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | | | | -137.9 | 130.4 | 56.6 | -72.4 | -48.3 | 0 | 0 | 0 | 113 | | |
| 578 | N | 30 | Very low | 29.8 | Very low | 162 Ų | 162 | 151 Ų | 151 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | | | trans | -71.9 | 142.8 | 164.7 | -76.7 | -39.9 | 0 | 0 | 0 | 109.9 | | |
| 579 | L | 28.6 | Very low | 30.4 | Very low | 150 Ų | 150 | 143.7 Ų | 143.7 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | | | trans | -63.7 | 137.2 | 150.3 | -71.2 | 109.8 | 0 | 0 | 0 | 108.5 | | |
| 580 | D | 32.7 | Very low | 30.5 | Very low | 164 Ų | 164 | 144.3 Ų | 144.3 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | | | | -150.2 | 134.4 | 122.5 | -105.2 | -30.6 | 0 | 0 | 0 | 109.4 | | |
| 581 | V | 32 | Very low | 30.7 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | | | trans | -117 | 95.9 | -176.3 | 175.1 | 0 | 0 | 0 | 0 | 107.5 | | |
| 582 | E | 34.4 | Very low | 30.9 | Very low | 170 Ų | 170 | 140.1 Ų | 140.1 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | | | trans | -131 | 105.7 | 169.7 | -87.2 | -70.3 | 145.2 | 0 | 0 | 108 | | |
| 583 | Q | 30.5 | Very low | 30.6 | Very low | 185 Ų | 185 | 144 Ų | 144 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | | | trans | -90.9 | 115.7 | 172.8 | -70.7 | -178.9 | -12.7 | 0 | 0 | 109.1 | | |
| 584 | S | 32 | Very low | 30.6 | Very low | 101 Ų | 101 | 148.4 Ų | 148.4 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | | | trans | -151.8 | 117 | 155.5 | 48.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 585 | V | 29.8 | Very low | 30.4 | Very low | 134 Ų | 134 | 144.5 Ų | 144.5 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | | | trans | 50.4 | 83.9 | 141.4 | -164.4 | 0 | 0 | 0 | 0 | 118.2 | | |
| 586 | E | 27.7 | Very low | 30.3 | Very low | 177 Ų | 177 | 145.5 Ų | 145.5 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | | | | 43.1 | 94 | 110.5 | -161.2 | 162.5 | -151.1 | 0 | 0 | 118.2 | | |
| 587 | G | 26.8 | Very low | 30.4 | Very low | 82 Ų | 82 | 149.7 Ų | 149.7 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | | | trans | -136.8 | 101.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 588 | I | 31.9 | Very low | 30.1 | Very low | 148 Ų | 148 | 150.9 Ų | 150.9 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | | | trans | -111.2 | 133.5 | 174.1 | -62.6 | 174.6 | 0 | 0 | 0 | 105.2 | | |
| 589 | P | 36.2 | Very low | 30.3 | Very low | 89 Ų | 89 | 151.8 Ų | 151.8 | 58% | 0.578 | 80% | 0.796 | S | S | * | * | | | | -149 | 158.9 | 56.6 | 33.4 | -11 | 0 | 0 | 0 | 118.5 | H591 | P589-H591 PolarHBondContact O-CE1 2.93Š|
| 590 | H | 30.2 | Very low | 30.7 | Very low | 185 Ų | 185 | 149.7 Ų | 149.7 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | | | trans | -120.7 | 144.6 | 146.8 | -99.9 | -64.3 | 0 | 0 | 0 | 111 | | |
| 591 | H | 32.4 | Very low | 30.3 | Very low | 147 Ų | 147 | 149.4 Ų | 149.4 | 68% | 0.681 | 79% | 0.79 | S | S | * | * | | | trans | -113.9 | 124.6 | -151.8 | -11 | -79.3 | 0 | 0 | 0 | 110.5 | P589 | P589-H591 PolarHBondContact O-CE1 2.93Š|
| 592 | S | 28.7 | Very low | 30.3 | Very low | 126 Ų | 126 | 154.1 Ų | 154.1 | 88% | 0.881 | 80% | 0.801 | S | S | * | * | | | trans | -133.8 | 123.2 | 175.1 | -172.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 593 | K | 27.4 | Very low | 30 | Very low | 198 Ų | 198 | 154.1 Ų | 154.1 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | | | trans | -82 | 133.3 | -165 | -57.5 | 162.8 | -179.6 | 175 | 0 | 112.5 | | |
| 594 | Q | 30 | Very low | 30.3 | Very low | 190 Ų | 190 | 151 Ų | 151 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | | | trans | -174.3 | 148.6 | 149.6 | -102.8 | 165.2 | 29.5 | 0 | 0 | 106.1 | | |
| 595 | S | 26.8 | Very low | 30.3 | Very low | 86 Ų | 86 | 153.6 Ų | 153.6 | 60% | 0.601 | 81% | 0.805 | S | S | * | * | | | cis | 169.9 | 144.4 | -17.2 | 51.7 | 0 | 0 | 0 | 0 | 104.4 | | |
| 596 | K | 27.2 | Very low | 30.3 | Very low | 201 Ų | 201 | 156.4 Ų | 156.4 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | | | trans | 69.9 | 115.4 | 173.1 | -51.1 | 176 | 179.8 | 178.5 | 0 | 117 | | |
| 597 | I | 31.8 | Very low | 30.6 | Very low | 172 Ų | 172 | 157.5 Ų | 157.5 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | | | | -141.7 | 136 | 127.7 | -96.3 | 148 | 0 | 0 | 0 | 106.7 | | |
| 598 | K | 26.1 | Very low | 30.7 | Very low | 188 Ų | 188 | 158.6 Ų | 158.6 | 82% | 0.817 | 81% | 0.806 | S | S | * | * | | | trans | -104.9 | 167.8 | 166.4 | -77.1 | -176.1 | 172.9 | -174.2 | 0 | 107.9 | | |
| 599 | Q | 32.4 | Very low | 30.8 | Very low | 180 Ų | 180 | 161.5 Ų | 161.5 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | | | trans | 109 | 148.6 | 164.9 | -58.6 | -68.1 | -8.6 | 0 | 0 | 114 | | |
| 600 | P | 37.1 | Very low | 30.6 | Very low | 107 Ų | 107 | 164.9 Ų | 164.9 | 70% | 0.695 | 83% | 0.826 | S | S | * | * | | | trans | -127.1 | 179 | -142.2 | 44.8 | -31 | 0 | 0 | 0 | 114.6 | | |
| 601 | L | 24.2 | Very low | 30.9 | Very low | 158 Ų | 158 | 161.8 Ų | 161.8 | 83% | 0.827 | 82% | 0.822 | S | S | * | * | | | trans | 53.2 | 105.9 | 146.4 | -150.6 | 79.1 | 0 | 0 | 0 | 118 | | |
| 602 | K | 33.4 | Very low | 31 | Very low | 213 Ų | 213 | 164.5 Ų | 164.5 | 93% | 0.926 | 83% | 0.832 | S | S | * | * | | | trans | -145.3 | 144.5 | 134.2 | -117.4 | 172.3 | -173.4 | -178.7 | 0 | 111.6 | | |
| 603 | E | 28 | Very low | 30.8 | Very low | 170 Ų | 170 | 168 Ų | 168 | 79% | 0.794 | 83% | 0.831 | S | S | * | * | | | trans | -98.7 | 142.2 | -162.6 | -167.5 | 166.2 | -154.8 | 0 | 0 | 109.3 | | |
| 604 | S | 35.3 | Very low | 30.9 | Very low | 119 Ų | 119 | 166.6 Ų | 166.6 | 83% | 0.832 | 83% | 0.832 | S | S | * | * | | | trans | -157.5 | 143.3 | 173 | -67.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 605 | D | 32.9 | Very low | 31 | Very low | 156 Ų | 156 | 162.4 Ų | 162.4 | 83% | 0.834 | 82% | 0.822 | S | S | * | * | | | trans | -82.8 | 161 | -146.5 | -83.7 | -68.6 | 0 | 0 | 0 | 119.1 | | |
| 606 | K | 30 | Very low | 31 | Very low | 193 Ų | 193 | 163.4 Ų | 163.4 | 84% | 0.839 | 83% | 0.828 | S | S | * | * | | | trans | -69.9 | 134.3 | 172.7 | -55.8 | 155.6 | -176.2 | 163 | 0 | 110.6 | | |
| 607 | Q | 33.5 | Very low | 31.2 | Very low | 200 Ų | 200 | 165 Ų | 165 | 94% | 0.935 | 83% | 0.831 | S | S | * | * | | | trans | -137.6 | 139.1 | 140.2 | -77.8 | -157.5 | -4.9 | 0 | 0 | 111.8 | | |
| 608 | S | 30 | Very low | 31.2 | Very low | 104 Ų | 104 | 162.5 Ų | 162.5 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | | | trans | -89.2 | 147.1 | -169.4 | 47.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 609 | K | 32.7 | Very low | 31.3 | Very low | 210 Ų | 210 | 162 Ų | 162 | 91% | 0.913 | 82% | 0.821 | S | S | * | * | | | trans | -127.7 | 112.2 | 157.6 | -83.6 | -176.6 | 175.4 | 175.1 | 0 | 109.9 | | |
| 610 | L | 31.7 | Very low | 31.2 | Very low | 159 Ų | 159 | 159.5 Ų | 159.5 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -83 | 128.2 | 176.5 | -78.8 | 153.5 | 0 | 0 | 0 | 110.8 | | |
| 611 | P | 37.8 | Very low | 31.1 | Very low | 120 Ų | 120 | 160.6 Ų | 160.6 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 138 | 163.1 | 32.2 | -30.4 | 0 | 0 | 0 | 110.7 | | |
| 612 | K | 33.1 | Very low | 31.8 | Very low | 204 Ų | 204 | 161.4 Ų | 161.4 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 137.5 | -173.6 | -64 | 176.2 | 178.9 | 178.5 | 0 | 112 | | |
| 613 | K | 25.9 | Very low | 32.2 | Very low | 200 Ų | 200 | 157.9 Ų | 157.9 | 87% | 0.87 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 140.4 | 162.5 | -73 | 179.3 | 173.4 | -179.8 | 0 | 109.9 | | |
| 614 | L | 28.5 | Very low | 32.6 | Very low | 168 Ų | 168 | 157.3 Ų | 157.3 | 88% | 0.88 | 81% | 0.812 | S | S | * | * | | | trans | -145.6 | 157.3 | 151.8 | -104.9 | 114.8 | 0 | 0 | 0 | 109.7 | | |
| 615 | P | 32.6 | Very low | 33 | Very low | 103 Ų | 103 | 159.6 Ų | 159.6 | 67% | 0.669 | 82% | 0.815 | S | S | * | * | | | trans | -108.2 | 173.2 | -146.4 | 40.1 | -34.6 | 0 | 0 | 0 | 115.7 | | |
| 616 | S | 27.1 | Very low | 33.1 | Very low | 106 Ų | 106 | 159.2 Ų | 159.2 | 74% | 0.741 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 134.9 | 170.8 | 48.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 617 | Y | 31.9 | Very low | 33.2 | Very low | 236 Ų | 236 | 161.3 Ų | 161.3 | 93% | 0.925 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -87 | 141.9 | 159.3 | -94.6 | -94.5 | 0 | 0 | 0 | 110.8 | | |
| 618 | T | 31.4 | Very low | 33 | Very low | 118 Ų | 118 | 155.5 Ų | 155.5 | 72% | 0.724 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 136.5 | 178.6 | -49 | 0 | 0 | 0 | 0 | 108.7 | | |
| 619 | K | 27.9 | Very low | 33 | Very low | 179 Ų | 179 | 157.2 Ų | 157.2 | 78% | 0.778 | 81% | 0.811 | S | S | * | * | | | trans | 21.1 | 131.2 | 139.4 | -137 | -179.5 | -172.5 | -175.5 | 0 | 118 | | |
| 620 | D | 31.1 | Very low | 33.1 | Very low | 127 Ų | 127 | 157 Ų | 157 | 68% | 0.679 | 81% | 0.81 | S | S | * | * | | | | 165.7 | 158.5 | 121.7 | -77 | -20.3 | 0 | 0 | 0 | 112 | | |
| 621 | N | 33.5 | Very low | 33.2 | Very low | 130 Ų | 130 | 157.9 Ų | 157.9 | 70% | 0.695 | 81% | 0.81 | S | S | * | * | | | trans | 73.5 | 91.2 | 169.4 | -41.2 | -41.2 | 0 | 0 | 0 | 118.5 | | |
| 622 | D | 40.5 | Very low | 32.7 | Very low | 174 Ų | 174 | 158.8 Ų | 158.8 | 93% | 0.93 | 81% | 0.813 | S | S | * | * | | | trans | -111.4 | 108.5 | 141.9 | -80.6 | -48.7 | 0 | 0 | 0 | 106.1 | | |
| 623 | D | 39.9 | Very low | 33 | Very low | 139 Ų | 139 | 154.9 Ų | 154.9 | 74% | 0.743 | 81% | 0.809 | S | S | * | * | | | trans | -86.6 | 136.2 | -173.4 | -76.6 | -56.3 | 0 | 0 | 0 | 113.3 | D625 | D623-D625 PolarHBondContact O-N 3.24Š|
| 624 | D | 37.8 | Very low | 33.2 | Very low | 158 Ų | 158 | 149.8 Ų | 149.8 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | | | trans | -12.1 | 101.6 | 161.9 | -66.2 | -37.7 | 0 | 0 | 0 | 119.4 | D626 | D624-D626 PolarHBondContact O-N 3.07Š|
| 625 | D | 43 | Very low | 33.2 | Very low | 168 Ų | 168 | 150.9 Ų | 150.9 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | | | trans | -94.3 | 86.9 | 159.1 | -106.9 | -28.6 | 0 | 0 | 0 | 112 | D623 | D623-D625 PolarHBondContact O-N 3.24Š|
| 626 | D | 35 | Very low | 33.2 | Very low | 148 Ų | 148 | 153.1 Ų | 153.1 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | | | trans | 56.9 | 147.9 | 145.5 | -142.9 | 4.4 | 0 | 0 | 0 | 123.5 | D624 | D624-D626 PolarHBondContact O-N 3.07Š|
| 627 | R | 31.9 | Very low | 33.1 | Very low | 237 Ų | 237 | 153.9 Ų | 153.9 | 89% | 0.894 | 81% | 0.808 | S | S | * | * | | | trans | -99.9 | 107.8 | -166.1 | -62.4 | 169.5 | 177.7 | -126.8 | -2.5 | 111.4 | | |
| 628 | G | 30.6 | Very low | 33.3 | Very low | 78 Ų | 78 | 150.6 Ų | 150.6 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | | | trans | -112.4 | 19.3 | -169.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 629 | N | 28.4 | Very low | 33.1 | Very low | 140 Ų | 140 | 153.3 Ų | 153.3 | 75% | 0.749 | 81% | 0.811 | S | S | * | * | | | trans | 16 | 102.1 | 161 | -165.9 | 29.1 | 0 | 0 | 0 | 119.2 | | |
| 630 | K | 35 | Very low | 33.3 | Very low | 206 Ų | 206 | 152.6 Ų | 152.6 | 90% | 0.896 | 81% | 0.814 | S | S | * | * | | | trans | -140 | 140.2 | 150.5 | -75.5 | -160.9 | 176.4 | 178.5 | 0 | 112.3 | | |
| 631 | E | 33.8 | Very low | 33.1 | Very low | 177 Ų | 177 | 154 Ų | 154 | 83% | 0.827 | 82% | 0.821 | S | S | * | * | | | trans | -87.2 | 178.6 | -159.8 | -64.2 | 166.6 | 121.5 | 0 | 0 | 114.7 | | |
| 632 | T | 28.6 | Very low | 32.8 | Very low | 138 Ų | 138 | 152.3 Ų | 152.3 | 85% | 0.847 | 82% | 0.819 | S | S | * | * | | | trans | -106.3 | -169.7 | -166.4 | 79.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 633 | P | 39.4 | Very low | 32.2 | Very low | 122 Ų | 122 | 151.3 Ų | 151.3 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | | | trans | -123.5 | 156.3 | -132.3 | 30.4 | -7.6 | 0 | 0 | 0 | 117.3 | | |
| 634 | A | 30.3 | Very low | 31.8 | Very low | 94 Ų | 94 | 150.7 Ų | 150.7 | 78% | 0.777 | 81% | 0.813 | S | S | * | * | | | trans | -143.9 | 122.5 | 160 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 635 | K | 27.3 | Very low | 31.5 | Very low | 191 Ų | 191 | 152.7 Ų | 152.7 | 83% | 0.83 | 81% | 0.814 | S | S | * | * | | | | 72.1 | 143.3 | 66.5 | -74.6 | -172.7 | 175.9 | 177.9 | 0 | 113.9 | | |
| 636 | N | 32.4 | Very low | 30.8 | Very low | 150 Ų | 150 | 153.7 Ų | 153.7 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | | | trans | 87.4 | 102.7 | -172.7 | -49 | -12.8 | 0 | 0 | 0 | 111.6 | | |
| 637 | T | 26.4 | Very low | 30.5 | Very low | 122 Ų | 122 | 152.8 Ų | 152.8 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | | | cis | 47.1 | 95.4 | 42.4 | 68.5 | 0 | 0 | 0 | 0 | 114.2 | | |
| 638 | N | 34.3 | Very low | 30.4 | Very low | 166 Ų | 166 | 152.2 Ų | 152.2 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | | | | -159.9 | 147.5 | 122.7 | -95.3 | -21.8 | 0 | 0 | 0 | 111.4 | | |
| 639 | E | 28.5 | Very low | 30.2 | Very low | 176 Ų | 176 | 157.2 Ų | 157.2 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | | | trans | -76 | 157 | 172.3 | -55.8 | 171.9 | 139.9 | 0 | 0 | 109.9 | | |
| 640 | I | 32.2 | Very low | 30.4 | Very low | 164 Ų | 164 | 156.2 Ų | 156.2 | 84% | 0.841 | 82% | 0.817 | S | S | * | * | | | | 175.4 | 127.2 | 117.8 | -87.9 | 156.8 | 0 | 0 | 0 | 111.3 | | |
| 641 | L | 26.7 | Very low | 30.1 | Very low | 157 Ų | 157 | 152.4 Ų | 152.4 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | | | trans | -46 | 137.1 | 163.9 | -178.6 | 72.1 | 0 | 0 | 0 | 114.4 | | |
| 642 | S | 26 | Very low | 30.2 | Very low | 93 Ų | 93 | 153.4 Ų | 153.4 | 65% | 0.65 | 81% | 0.811 | S | S | * | * | | | | 152.5 | 155.6 | 117.6 | 66.4 | 0 | 0 | 0 | 0 | 117 | | |
| 643 | Q | 28.8 | Very low | 30.3 | Very low | 153 Ų | 153 | 154.3 Ų | 154.3 | 72% | 0.715 | 81% | 0.805 | S | S | * | * | | | trans | 65 | 98 | 160.2 | -52.8 | -52.4 | -24.1 | 0 | 0 | 121.1 | | |
| 644 | P | 31.8 | Very low | 30.1 | Very low | 127 Ų | 127 | 158.7 Ų | 158.7 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | | | trans | -82.1 | 113.1 | 151 | 32.4 | -27.7 | 0 | 0 | 0 | 110.7 | | |
| 645 | K | 30.8 | Very low | 30.2 | Very low | 199 Ų | 199 | 162.9 Ų | 162.9 | 87% | 0.865 | 81% | 0.812 | S | S | * | * | | | trans | -85.3 | 141.6 | 172.2 | -81.6 | -178 | 174.4 | 177.3 | 0 | 111.8 | | |
| 646 | Q | 27.5 | Very low | 30.5 | Very low | 190 Ų | 190 | 165.6 Ų | 165.6 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | | | trans | -76.5 | 147.3 | 172.1 | -61.9 | 171.1 | -46.2 | 0 | 0 | 111.5 | | |
| 647 | T | 30.1 | Very low | 30.3 | Very low | 128 Ų | 128 | 163.7 Ų | 163.7 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | | | trans | -157.3 | 130.8 | 161.2 | 22.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 648 | R | 30.3 | Very low | 30.5 | Very low | 225 Ų | 225 | 164.2 Ų | 164.2 | 85% | 0.849 | 81% | 0.809 | S | S | * | * | | | trans | 59.8 | 122.6 | 156.1 | -66.1 | 176.4 | 171.4 | 161.8 | -3.1 | 117.9 | | |
| 649 | E | 25.4 | Very low | 30.4 | Very low | 183 Ų | 183 | 164.1 Ų | 164.1 | 86% | 0.855 | 81% | 0.809 | S | S | * | * | | | | 65.5 | 108.9 | 52.3 | -63.2 | -174.1 | 150.6 | 0 | 0 | 115 | | |
| 650 | S | 33.4 | Very low | 30.4 | Very low | 120 Ų | 120 | 162.3 Ų | 162.3 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | | | trans | -167.2 | 121.3 | 147 | 57.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 651 | D | 28.4 | Very low | 30.6 | Very low | 125 Ų | 125 | 159.9 Ų | 159.9 | 67% | 0.668 | 81% | 0.805 | S | S | * | * | | | trans | -66 | 156.9 | 179.6 | -61.3 | -83.4 | 0 | 0 | 0 | 114.6 | | |
| 652 | H | 35.3 | Very low | 30.7 | Very low | 198 Ų | 198 | 158.6 Ų | 158.6 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | | | trans | -151.6 | 88.5 | 136.8 | -95.8 | -49 | 0 | 0 | 0 | 112.6 | K654 | H652-K654 PolarHBondContact O-N 3.11Š|
| 653 | H | 30.7 | Very low | 30.8 | Very low | 157 Ų | 157 | 165.2 Ų | 165.2 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | | | trans | -66 | 121.2 | 164 | -77.5 | -71.6 | 0 | 0 | 0 | 111.4 | | |
| 654 | K | 36 | Very low | 30.8 | Very low | 214 Ų | 214 | 164.2 Ų | 164.2 | 93% | 0.93 | 82% | 0.824 | S | S | * | * | | | trans | -109.9 | 89.7 | 161.4 | -108.9 | 174.3 | -179.8 | 169.1 | 0 | 110.4 | H652 | H652-K654 PolarHBondContact O-N 3.11Š|
| 655 | K | 31.8 | Very low | 30.9 | Very low | 182 Ų | 182 | 165.3 Ų | 165.3 | 79% | 0.791 | 83% | 0.828 | S | S | * | * | | | trans | -71.7 | 126.2 | 168 | -66.6 | 175.5 | 178.9 | 174.6 | 0 | 108.9 | | |
| 656 | R | 33 | Very low | 30.8 | Very low | 249 Ų | 249 | 163.7 Ų | 163.7 | 94% | 0.94 | 83% | 0.829 | S | S | * | * | | | trans | -122 | 130.1 | 155.4 | -77.8 | -172 | 69.7 | 163.5 | 0.9 | 108.3 | | |
| 657 | T | 28.4 | Very low | 31.1 | Very low | 110 Ų | 110 | 166.3 Ų | 166.3 | 68% | 0.675 | 83% | 0.831 | S | S | * | * | | | trans | -101.6 | -178.9 | -172.2 | 55.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 658 | N | 30.1 | Very low | 31 | Very low | 132 Ų | 132 | 164 Ų | 164 | 71% | 0.706 | 83% | 0.832 | S | S | * | * | | | trans | 81.6 | 92.1 | 163.2 | -45 | -12.2 | 0 | 0 | 0 | 116.2 | | |
| 659 | N | 32.7 | Very low | 30.9 | Very low | 165 Ų | 165 | 156 Ų | 156 | 88% | 0.882 | 82% | 0.82 | S | S | * | * | | | | -168.6 | 151.7 | 101.7 | -87 | -18.3 | 0 | 0 | 0 | 111.8 | | |
| 660 | V | 28.3 | Very low | 31.2 | Very low | 137 Ų | 137 | 156.6 Ų | 156.6 | 83% | 0.83 | 82% | 0.822 | S | S | * | * | | | trans | -147.4 | 155.4 | -152.4 | 149.7 | 0 | 0 | 0 | 0 | 107.2 | | |
| 661 | P | 38 | Very low | 31 | Very low | 114 Ų | 114 | 159 Ų | 159 | 74% | 0.74 | 82% | 0.82 | S | S | * | * | | | | -124.3 | 167.7 | -87.6 | 19.3 | 6.6 | 0 | 0 | 0 | 114 | | |
| 662 | S | 28.7 | Very low | 31.3 | Very low | 130 Ų | 130 | 158.6 Ų | 158.6 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | | | trans | -87.7 | 126.9 | 171.5 | -60 | 0 | 0 | 0 | 0 | 111.7 | | |
| 663 | R | 28 | Very low | 31.1 | Very low | 232 Ų | 232 | 155.7 Ų | 155.7 | 88% | 0.875 | 82% | 0.82 | S | S | * | * | | | trans | -86 | 138.6 | -179.6 | -86.2 | -179.2 | 168.8 | 169.4 | -3.7 | 113.3 | | |
| 664 | T | 28 | Very low | 31.1 | Very low | 131 Ų | 131 | 154.5 Ų | 154.5 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | | | trans | 13.4 | 127.2 | 145.5 | 53.4 | 0 | 0 | 0 | 0 | 119.8 | | |
| 665 | V | 34.2 | Very low | 30.7 | Very low | 151 Ų | 151 | 150.8 Ų | 150.8 | 92% | 0.915 | 82% | 0.82 | S | S | * | * | | | trans | -132.2 | 118.7 | 147.7 | -111.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 666 | D | 29.3 | Very low | 30.8 | Very low | 165 Ų | 165 | 150.5 Ų | 150.5 | 88% | 0.882 | 82% | 0.821 | S | S | * | * | | | trans | -78.7 | 138.7 | 173.7 | -120.9 | -41.6 | 0 | 0 | 0 | 110.7 | | |
| 667 | R | 33.4 | Very low | 30.7 | Very low | 244 Ų | 244 | 144.5 Ų | 144.5 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | | | trans | -151.9 | 108.2 | 165 | -151.2 | 172.6 | -163.2 | 150.4 | 5.2 | 109.3 | | |
| 668 | G | 27 | Very low | 30.7 | Very low | 79 Ų | 79 | 149.7 Ų | 149.7 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | | | trans | -75.4 | -175.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 669 | G | 28.3 | Very low | 30.7 | Very low | 58 Ų | 58 | 146.7 Ų | 146.7 | 60% | 0.598 | 82% | 0.82 | S | S | * | * | | | trans | 157.5 | 0.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | H671 | G669-H671 PolarHBondContact O-N 2.7Š|
| 670 | H | 33 | Very low | 30.7 | Very low | 195 Ų | 195 | 147.4 Ų | 147.4 | 90% | 0.903 | 82% | 0.815 | S | S | * | * | | | trans | -90.3 | 100.5 | 175.4 | -70.1 | -60 | 0 | 0 | 0 | 111.2 | | |
| 671 | H | 28.8 | Very low | 31 | Very low | 172 Ų | 172 | 146.7 Ų | 146.7 | 80% | 0.796 | 81% | 0.811 | S | S | * | * | | | trans | -65.5 | 127.5 | 170.3 | -62.3 | -88.9 | 0 | 0 | 0 | 109.7 | G669 | G669-H671 PolarHBondContact O-N 2.7Š|
| 672 | P | 34.1 | Very low | 30.9 | Very low | 115 Ų | 115 | 146.6 Ų | 146.6 | 75% | 0.747 | 81% | 0.808 | S | S | * | * | | | trans | -74.7 | 129.7 | -178.5 | 28.7 | -33.4 | 0 | 0 | 0 | 111.1 | T674 | P672-T674 PolarHBondContact O-N 2.87Å; P672-T674 VanDerWaalsContact O-N 3.17Å |
| 673 | T | 32.2 | Very low | 31.4 | Very low | 137 Ų | 137 | 147 Ų | 147 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | | | trans | -69.5 | 106.4 | 169.9 | 48.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 674 | T | 30.6 | Very low | 31.7 | Very low | 132 Ų | 132 | 144.1 Ų | 144.1 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | | | trans | -68.1 | 143 | 177.6 | 46.2 | 0 | 0 | 0 | 0 | 111.2 | P672 | P672-T674 PolarHBondContact O-N 2.87Å; P672-T674 VanDerWaalsContact O-N 3.17Å |
| 675 | T | 27.6 | Very low | 32.3 | Very low | 136 Ų | 136 | 144.8 Ų | 144.8 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | | | trans | -93.5 | 112 | -178.3 | -61.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 676 | E | 33.3 | Very low | 32.6 | Very low | 177 Ų | 177 | 143.2 Ų | 143.2 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | | | trans | -132.7 | 103.1 | 166.2 | -73.2 | -157.4 | 147.3 | 0 | 0 | 113.3 | | |
| 677 | T | 31.7 | Very low | 32.9 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | | | | 47.5 | 87.1 | 122.2 | -35.3 | 0 | 0 | 0 | 0 | 119.6 | G679 | T677-G679 PolarHBondContact O-N 3.17Š|
| 678 | R | 26.8 | Very low | 33.3 | Very low | 219 Ų | 219 | 135.5 Ų | 135.5 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | | | | 43.6 | 65.2 | 124.4 | -159.2 | -170.9 | -165.4 | 178.1 | 6.1 | 117.7 | K680 | R678-K680 PolarHBondContact O-N 2.98Š|
| 679 | G | 31.5 | Very low | 34.1 | Very low | 69 Ų | 69 | 143.1 Ų | 143.1 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | | | trans | -82.4 | 105.1 | 158.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | T677 V681 | T677-G679 PolarHBondContact O-N 3.17Å; G679-V681 PolarHBondContact O-N 3.36Å; G679-V681 VanDerWaalsContact O-N 3.15Å |
| 680 | K | 32.6 | Very low | 35 | Very low | 181 Ų | 181 | 151.6 Ų | 151.6 | 79% | 0.787 | 79% | 0.793 | S | S | * | * | | | trans | -73.6 | 97.9 | 165.8 | -77.5 | -175.8 | 176 | -176.9 | 0 | 108.6 | R678 | R678-K680 PolarHBondContact O-N 2.98Š|
| 681 | V | 35 | Very low | 35.6 | Very low | 122 Ų | 122 | 150.7 Ų | 150.7 | 74% | 0.739 | 79% | 0.788 | S | S | * | * | | | trans | -93.5 | 117.5 | 169.2 | -174.5 | 0 | 0 | 0 | 0 | 108.7 | G679 D683 | G679-V681 PolarHBondContact O-N 3.36Å; G679-V681 VanDerWaalsContact O-N 3.15Å; V681-D683 PolarHBondContact O-N 3.04Å |
| 682 | T | 34.1 | Very low | 37.2 | Very low | 112 Ų | 112 | 147.9 Ų | 147.9 | 69% | 0.687 | 79% | 0.785 | S | S | * | * | | | trans | -79 | 91.4 | 175.2 | 43.6 | 0 | 0 | 0 | 0 | 109.8 | E684 | T682-E684 PolarHBondContact O-N 3.44Š|
| 683 | D | 39.4 | Very low | 37.8 | Very low | 139 Ų | 139 | 148 Ų | 148 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | | | trans | -72.7 | 84.6 | 165.5 | -86 | -17.8 | 0 | 0 | 0 | 109.7 | V681 L685 | V681-D683 PolarHBondContact O-N 3.04Å; D683-L685 PolarHBondContact O-N 3.1Å |
| 684 | E | 34.7 | Very low | 38.2 | Very low | 171 Ų | 171 | 146.9 Ų | 146.9 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | | | trans | -66.7 | 63 | 165.9 | -72.4 | -80.5 | 150.9 | 0 | 0 | 110.4 | T682 P686 | T682-E684 PolarHBondContact O-N 3.44Å; E684-P686 WeakPolarHBondContact O-CD 3.46Å |
| 685 | L | 40.7 | Very low | 39 | Very low | 145 Ų | 145 | 146.6 Ų | 146.6 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | | | trans | -84.2 | 119.5 | 163.7 | -77.1 | 177.7 | 0 | 0 | 0 | 108.6 | D683 G687 | D683-L685 PolarHBondContact O-N 3.1Å; L685-G687 PolarHBondContact O-N 3.24Å |
| 686 | P | 40.6 | Very low | 39.6 | Very low | 117 Ų | 117 | 148.4 Ų | 148.4 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | | | trans | -56.9 | 102.9 | -172.7 | -29.4 | 36.6 | 0 | 0 | 0 | 113 | E684 H688 | E684-P686 WeakPolarHBondContact O-CD 3.46Å; P686-H688 PolarHBondContact O-N 3.5Å |
| 687 | G | 36.8 | Very low | 39.8 | Very low | 68 Ų | 68 | 145 Ų | 145 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | | | trans | -59.7 | 110 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | L685 R689 | L685-G687 PolarHBondContact O-N 3.24Å; G687-R689 PolarHBondContact O-N 3.5Å |
| 688 | H | 40.6 | Very low | 40.4 | Very low | 180 Ų | 180 | 145.1 Ų | 145.1 | 83% | 0.833 | 78% | 0.784 | S | S | * | * | | | trans | -52.2 | 109.6 | 174 | -71 | -64.9 | 0 | 0 | 0 | 109.2 | P686 R690 | P686-H688 PolarHBondContact O-N 3.5Å; H688-R690 VanDerWaalsContact C-N 3.35Å; H688-R690 PolarHBondContact O-N 2.9Å |
| 689 | R | 43.1 | Very low | 40.9 | Very low | 239 Ų | 239 | 141.7 Ų | 141.7 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | | | trans | -55.8 | 95.9 | 178.2 | -76.1 | 179.9 | 170.1 | 175.8 | -4 | 109.1 | G687 H691 | G687-R689 PolarHBondContact O-N 3.5Å; R689-H691 PolarHBondContact O-N 3.27Å |
| 690 | R | 49.1 | Very low | 41.1 | Very low | 236 Ų | 236 | 142.6 Ų | 142.6 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -69 | 116.5 | 167.3 | -66.1 | -174.2 | 178.6 | -154 | -0.4 | 106.2 | H688 | H688-R690 VanDerWaalsContact C-N 3.35Å; H688-R690 PolarHBondContact O-N 2.9Å |
| 691 | H | 45.1 | Very low | 41.5 | Very low | 176 Ų | 176 | 142.1 Ų | 142.1 | 82% | 0.815 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 134.4 | 173.3 | -68 | -92.6 | 0 | 0 | 0 | 109 | R689 | R689-H691 PolarHBondContact O-N 3.27Š|
| 692 | P | 61.7 | Low | 41.6 | Very low | 112 Ų | 112 | 144.4 Ų | 144.4 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 142.5 | 177.6 | 25.8 | -33.5 | 0 | 0 | 0 | 109.6 | | |
| 693 | P | 47.8 | Very low | 41.8 | Very low | 117 Ų | 117 | 145.1 Ų | 145.1 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 142.5 | 178 | 26.8 | -33.8 | 0 | 0 | 0 | 110.3 | | |
| 694 | P | 40.6 | Very low | 41.7 | Very low | 114 Ų | 114 | 145.7 Ų | 145.7 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 149.3 | -180 | 25.8 | -34.3 | 0 | 0 | 0 | 111.5 | | |
| 695 | P | 45.8 | Very low | 41.8 | Very low | 126 Ų | 126 | 145.3 Ų | 145.3 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 138.5 | -174.5 | 25.8 | -34.4 | 0 | 0 | 0 | 111.9 | S697 | P695-S697 PolarHBondContact O-N 2.86Š|
| 696 | L | 40 | Very low | 41.5 | Very low | 175 Ų | 175 | 148.3 Ų | 148.3 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 118.1 | 172.1 | -66.5 | 169.3 | 0 | 0 | 0 | 108.9 | | |
| 697 | S | 38.1 | Very low | 41.3 | Very low | 106 Ų | 106 | 148.5 Ų | 148.5 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 148.8 | 174.7 | 48.8 | 0 | 0 | 0 | 0 | 111.6 | P695 N699 | P695-S697 PolarHBondContact O-N 2.86Å; S697-N699 PolarHBondContact O-N 2.89Å |
| 698 | P | 43.8 | Very low | 41.1 | Very low | 124 Ų | 124 | 156 Ų | 156 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 136.9 | -164.6 | -22.7 | 34.3 | 0 | 0 | 0 | 113.4 | A700 | P698-A700 VanDerWaalsContact C-N 3.34Å; P698-A700 PolarHBondContact O-N 3.11Å |
| 699 | N | 38.2 | Very low | 41 | Very low | 146 Ų | 146 | 154.6 Ų | 154.6 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | | | trans | -80.7 | 80.1 | -179.3 | -162.5 | 4.1 | 0 | 0 | 0 | 109.8 | S697 K701 | S697-N699 PolarHBondContact O-N 2.89Å; N699-K701 PolarHBondContact O-N 3.43Å |
| 700 | A | 36.5 | Very low | 40.6 | Very low | 89 Ų | 89 | 146.8 Ų | 146.8 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | | | trans | -66.8 | 95.7 | 176 | 0 | 0 | 0 | 0 | 0 | 110.1 | P698 E702 | P698-A700 VanDerWaalsContact C-N 3.34Å; P698-A700 PolarHBondContact O-N 3.11Å; A700-E702 PolarHBondContact O-N 3.27Å; A700-E702 VanDerWaalsContact O-N 3.17Å |
| 701 | K | 40.4 | Very low | 39.9 | Very low | 170 Ų | 170 | 141.5 Ų | 141.5 | 74% | 0.739 | 78% | 0.778 | S | S | * | * | | | trans | -76.4 | 91.8 | 170.5 | -68.3 | -179.6 | 177.4 | -177.8 | 0 | 109.5 | N699 | N699-K701 PolarHBondContact O-N 3.43Š|
| 702 | E | 37.9 | Very low | 39.4 | Very low | 170 Ų | 170 | 139.6 Ų | 139.6 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | | | trans | -96.8 | 100.1 | 157.2 | -73.2 | -176.2 | 161.5 | 0 | 0 | 108 | A700 M704 | A700-E702 PolarHBondContact O-N 3.27Å; A700-E702 VanDerWaalsContact O-N 3.17Å; E702-M704 VanDerWaalsContact C-N 3.32Å; E702-M704 PolarHBondContact O-N 3.39Å |
| 703 | D | 37.9 | Very low | 38.1 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 68% | 0.679 | 78% | 0.782 | S | S | * | * | | | trans | -67.2 | 89.4 | 175.2 | -81.1 | -43.6 | 0 | 0 | 0 | 109.5 | H705 | D703-H705 VanDerWaalsContact C-N 3.28Å; D703-H705 PolarHBondContact O-N 2.79Å; D703-H705 PolarHBondContact O-ND1 2.78Å |
| 704 | M | 37.4 | Very low | 37.1 | Very low | 151 Ų | 151 | 145.6 Ų | 145.6 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | | | trans | -61.7 | 87.8 | 174 | -72.2 | -66.3 | -72.7 | 0 | 0 | 110.6 | E702 Y706 | E702-M704 VanDerWaalsContact C-N 3.32Å; E702-M704 PolarHBondContact O-N 3.39Å; M704-Y706 PolarHBondContact O-N 2.89Å; M704-Y706 VanDerWaalsContact O-N 3.13Å |
| 705 | H | 35.6 | Very low | 36.8 | Very low | 163 Ų | 163 | 145.7 Ų | 145.7 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | | | trans | -64.4 | 106.4 | 175.2 | -83.9 | 51 | 0 | 0 | 0 | 109.9 | D703 | D703-H705 VanDerWaalsContact C-N 3.28Å; D703-H705 PolarHBondContact O-N 2.79Å; D703-H705 PolarHBondContact O-ND1 2.78Å |
| 706 | Y | 34.8 | Very low | 36.2 | Very low | 208 Ų | 208 | 151.5 Ų | 151.5 | 82% | 0.816 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 123.7 | 163.3 | -81.8 | -83.7 | 0 | 0 | 0 | 109.4 | M704 R708 | M704-Y706 PolarHBondContact O-N 2.89Å; M704-Y706 VanDerWaalsContact O-N 3.13Å; Y706-R708 PolarHBondContact O-N 2.92Å |
| 707 | P | 37.2 | Very low | 35.6 | Very low | 121 Ų | 121 | 150.1 Ų | 150.1 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 123.6 | -177.4 | -21.9 | 33 | 0 | 0 | 0 | 111.7 | | |
| 708 | R | 31.6 | Very low | 35.5 | Very low | 227 Ų | 227 | 150.4 Ų | 150.4 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 133.9 | 146 | -72.3 | -174.8 | 175.6 | -173.8 | 0.4 | 106.9 | Y706 | Y706-R708 PolarHBondContact O-N 2.92Š|
| 709 | D | 38 | Very low | 34.9 | Very low | 150 Ų | 150 | 151.9 Ų | 151.9 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | | | trans | 157.1 | 61.8 | 145.9 | -75.9 | -11.5 | 0 | 0 | 0 | 110.5 | | |
| 710 | G | 35.8 | Very low | 34.5 | Very low | 75 Ų | 75 | 148.4 Ų | 148.4 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | | | trans | -99.4 | 69.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | V712 | G710-V712 PolarHBondContact O-N 2.75Š|
| 711 | T | 34.1 | Very low | 34.3 | Very low | 124 Ų | 124 | 149.5 Ų | 149.5 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | | | trans | -69.8 | 90.6 | -177 | 49 | 0 | 0 | 0 | 0 | 111.9 | | |
| 712 | V | 34.8 | Very low | 34.1 | Very low | 137 Ų | 137 | 151 Ų | 151 | 83% | 0.83 | 80% | 0.801 | S | S | * | * | | | trans | -92.4 | 104.4 | 163.4 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | G710 R714 | G710-V712 PolarHBondContact O-N 2.75Å; V712-R714 PolarHBondContact O-N 2.7Å |
| 713 | S | 33.7 | Very low | 33.7 | Very low | 112 Ų | 112 | 147.8 Ų | 147.8 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | | | trans | -56.6 | 105.7 | -178.6 | -55.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 714 | R | 26.9 | Very low | 33.4 | Very low | 243 Ų | 243 | 146.5 Ų | 146.5 | 92% | 0.917 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 123.5 | 172 | -154.3 | 174.3 | -163.6 | -122.5 | 3 | 109.2 | V712 | V712-R714 PolarHBondContact O-N 2.7Š|
| 715 | S | 34.6 | Very low | 33.3 | Very low | 116 Ų | 116 | 145.2 Ų | 145.2 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 149.5 | -175.6 | -60.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 716 | R | 32.1 | Very low | 33.1 | Very low | 247 Ų | 247 | 143 Ų | 143 | 93% | 0.932 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 154.8 | -174.6 | -61.7 | -178.4 | -169.5 | 168.3 | 4 | 112.5 | | |
| 717 | I | 28.8 | Very low | 32.9 | Very low | 146 Ų | 146 | 141.3 Ų | 141.3 | 75% | 0.749 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 150.1 | -175.3 | -57.6 | 151 | 0 | 0 | 0 | 110.6 | D719 | I717-D719 WeakPolarHBondContact CG2-OD1 3.26Š|
| 718 | S | 35.4 | Very low | 32.7 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | | | trans | -116.2 | 129.3 | 147.5 | 65.8 | 0 | 0 | 0 | 0 | 108.8 | G720 | S718-G720 PolarHBondContact O-N 3.15Š|
| 719 | D | 31.5 | Very low | 32.5 | Very low | 155 Ų | 155 | 136.7 Ų | 136.7 | 83% | 0.829 | 81% | 0.813 | S | S | * | * | | | trans | -76.8 | 91.4 | -170.4 | -65.9 | -61.3 | 0 | 0 | 0 | 111.8 | I717 | I717-D719 WeakPolarHBondContact CG2-OD1 3.26Š|
| 720 | G | 30.4 | Very low | 32.1 | Very low | 73 Ų | 73 | 134.8 Ų | 134.8 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | | | trans | -96.7 | 93.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S718 K722 | S718-G720 PolarHBondContact O-N 3.15Å; G720-K722 PolarHBondContact O-N 2.86Å |
| 721 | S | 32 | Very low | 31.7 | Very low | 111 Ų | 111 | 142.7 Ų | 142.7 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | | | trans | -64.4 | 116.1 | -178.1 | 57.1 | 0 | 0 | 0 | 0 | 114 | | |
| 722 | K | 36 | Very low | 31.6 | Very low | 202 Ų | 202 | 144.4 Ų | 144.4 | 88% | 0.878 | 81% | 0.812 | S | S | * | * | | | trans | -175.3 | 123.4 | 135.5 | -103.1 | 162.5 | -173 | 179.3 | 0 | 111 | G720 A724 | G720-K722 PolarHBondContact O-N 2.86Å; K722-A724 PolarHBondContact O-N 2.91Å |
| 723 | A | 29.9 | Very low | 31.4 | Very low | 102 Ų | 102 | 142.2 Ų | 142.2 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | | | trans | -68.3 | 120.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | T725 | A723-T725 PolarHBondContact O-N 2.99Š|
| 724 | A | 30.9 | Very low | 31.4 | Very low | 100 Ų | 100 | 144.7 Ų | 144.7 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | | | trans | -89 | 100.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | K722 | K722-A724 PolarHBondContact O-N 2.91Š|
| 725 | T | 35 | Very low | 31.6 | Very low | 124 Ų | 124 | 143.3 Ų | 143.3 | 76% | 0.761 | 80% | 0.801 | S | S | * | * | | | trans | -66.1 | 135.4 | 174.8 | -27.7 | 0 | 0 | 0 | 0 | 110.1 | A723 | A723-T725 PolarHBondContact O-N 2.99Š|
| 726 | P | 32 | Very low | 31.6 | Very low | 116 Ų | 116 | 145.6 Ų | 145.6 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | | | trans | -64.9 | 136.8 | -173.3 | 23.4 | -34.5 | 0 | 0 | 0 | 113.7 | T728 | P726-T728 PolarHBondContact O-N 2.68Š|
| 727 | L | 31 | Very low | 31.9 | Very low | 173 Ų | 173 | 140.9 Ų | 140.9 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | | | trans | -74.5 | 105.5 | -177 | -64 | 169.6 | 0 | 0 | 0 | 111.9 | | |
| 728 | T | 31.5 | Very low | 32.2 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | | | trans | -75.2 | 138.8 | 164.3 | 44.1 | 0 | 0 | 0 | 0 | 111.1 | P726 T730 | P726-T728 PolarHBondContact O-N 2.68Å; T728-T730 PolarHBondContact O-N 2.78Å; T728-T730 VanDerWaalsContact O-N 3.15Å |
| 729 | P | 27.9 | Very low | 32.5 | Very low | 131 Ų | 131 | 138.3 Ų | 138.3 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | | | trans | -69.4 | 111.4 | -175.1 | -18.6 | 32 | 0 | 0 | 0 | 112.9 | R731 | P729-R731 PolarHBondContact O-N 3.22Š|
| 730 | T | 30.2 | Very low | 33.5 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | | | trans | -69.1 | 114.8 | 177.6 | -61 | 0 | 0 | 0 | 0 | 111.2 | T728 H732 | T728-T730 PolarHBondContact O-N 2.78Å; T728-T730 VanDerWaalsContact O-N 3.15Å; T730-H732 PolarHBondContact O-CD2 3.29Å; T730-H732 PolarHBondContact O-N 3.11Å |
| 731 | R | 27.2 | Very low | 34.3 | Very low | 241 Ų | 241 | 135.5 Ų | 135.5 | 91% | 0.909 | 77% | 0.768 | S | S | * | * | | | trans | -74 | 92.7 | 177.3 | -165 | -176.2 | -163.6 | -154.3 | 6.2 | 110 | P729 S733 | P729-R731 PolarHBondContact O-N 3.22Å; R731-S733 PolarHBondContact O-N 2.97Å |
| 732 | H | 31.7 | Very low | 35.5 | Very low | 160 Ų | 160 | 136 Ų | 136 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | | | trans | -65.2 | 101.1 | 174.8 | -72.4 | -80.9 | 0 | 0 | 0 | 111 | T730 L734 | T730-H732 PolarHBondContact O-CD2 3.29Å; T730-H732 PolarHBondContact O-N 3.11Å; H732-L734 PolarHBondContact O-N 3.31Å |
| 733 | S | 30.8 | Very low | 36.5 | Very low | 91 Ų | 91 | 133.5 Ų | 133.5 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | | | trans | -69.7 | 112.7 | 165.8 | 58 | 0 | 0 | 0 | 0 | 109.2 | R731 R735 | R731-S733 PolarHBondContact O-N 2.97Å; S733-R735 PolarHBondContact O-N 3.36Å |
| 734 | L | 32.8 | Very low | 37.7 | Very low | 165 Ų | 165 | 136.4 Ų | 136.4 | 86% | 0.864 | 74% | 0.737 | S | S | * | * | | | trans | -61.5 | 110.5 | 163.8 | -86.6 | 74.6 | 0 | 0 | 0 | 107.7 | H732 | H732-L734 PolarHBondContact O-N 3.31Š|
| 735 | R | 32 | Very low | 38.9 | Very low | 213 Ų | 213 | 139.1 Ų | 139.1 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 145.3 | 167.6 | -64 | -175.9 | -168.9 | 175.9 | 5 | 108.2 | S733 L737 | S733-R735 PolarHBondContact O-N 3.36Å; R735-L737 PolarHBondContact O-N 2.95Å |
| 736 | N | 34.1 | Very low | 39.9 | Very low | 165 Ų | 165 | 142.3 Ų | 142.3 | 88% | 0.882 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 121.3 | 179.5 | -47.8 | -62.9 | 0 | 0 | 0 | 110.5 | | |
| 737 | L | 38.6 | Very low | 41 | Very low | 147 Ų | 147 | 143.8 Ų | 143.8 | 77% | 0.77 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 117.8 | 153.4 | -83.2 | 87.5 | 0 | 0 | 0 | 107.3 | R735 D739 | R735-L737 PolarHBondContact O-N 2.95Å; L737-D739 PolarHBondContact O-N 2.85Å |
| 738 | G | 34.4 | Very low | 42 | Very low | 79 Ų | 79 | 141.8 Ų | 141.8 | 81% | 0.814 | 71% | 0.711 | S | S | * | * | | | trans | -78.8 | 93.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | D740 | G738-D740 PolarHBondContact O-N 3.46Å; G738-D740 VanDerWaalsContact O-N 3.07Å |
| 739 | D | 41.7 | Very low | 43.3 | Very low | 126 Ų | 126 | 142.8 Ų | 142.8 | 67% | 0.674 | 71% | 0.705 | S | S | * | * | | | trans | -72 | 103.5 | 179.8 | -83.8 | -32.7 | 0 | 0 | 0 | 111.8 | L737 S741 R744 | L737-D739 PolarHBondContact O-N 2.85Å; D739-S741 PolarHBondContact O-N 3.3Å; D739-R744 PolarHBondContact O-NH2 3Å |
| 740 | D | 52.9 | Low | 44.7 | Very low | 92 Ų | 92 | 140.6 Ų | 140.6 | 49% | 0.492 | 69% | 0.689 | S | S | . | * | | | trans | -46.3 | 123.2 | 178.1 | -179.6 | 10.2 | 0 | 0 | 0 | 113.2 | G738 E742 K743 | G738-D740 PolarHBondContact O-N 3.46Å; G738-D740 VanDerWaalsContact O-N 3.07Å; D740-E742 PolarHBondContact O-N 2.74Å; D740-E742 PolarHBondContact OD1-N 3.02Å; D740-K743 PolarHBondContact O-N 2.86Å |
| 741 | S | 47.2 | Very low | 45.5 | Very low | 78 Ų | 78 | 141.6 Ų | 141.6 | 55% | 0.545 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -65.8 | -21.3 | -173.3 | 67.2 | 0 | 0 | 0 | 0 | 114.1 | D739 R744 K745 | D739-S741 PolarHBondContact O-N 3.3Å; S741-R744 PolarHBondContact O-N 3.37Å; S741-K745 PolarHBondContact O-N 3.33Å |
| 742 | E | 58.7 | Low | 46.8 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 56% | 0.561 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -67.2 | -38.7 | 179.1 | -72.4 | -136.9 | 129.7 | 0 | 0 | 113.1 | D740 R744 K745 R746 | D740-E742 PolarHBondContact O-N 2.74Å; D740-E742 PolarHBondContact OD1-N 3.02Å; E742-R744 PolarHBondContact O-N 3.08Å; E742-K745 PolarHBondContact O-N 2.82Å; E742-R746 PolarHBondContact O-N 2.89Å |
| 743 | K | 56.2 | Low | 48 | Very low | 150 Ų | 150 | 131.4 Ų | 131.4 | 65% | 0.652 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -60.8 | -35.6 | 178.7 | -70.6 | -175.5 | 179 | 177.8 | 0 | 111.6 | D740 R746 Q747 | D740-K743 PolarHBondContact O-N 2.86Å; K743-R746 PolarHBondContact O-N 2.84Å; K743-Q747 WeakPolarHBondContact O-CG 3.5Å; K743-Q747 PolarHBondContact O-N 3.34Å |
| 744 | R | 54.1 | Low | 49.2 | Very low | 163 Ų | 163 | 133.4 Ų | 133.4 | 62% | 0.615 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -67.1 | -41.4 | 177.4 | -133.4 | 176.4 | -61.9 | 161.2 | 4.9 | 112.1 | D739 S741 E742 Q748 | D739-R744 PolarHBondContact O-NH2 3Å; S741-R744 PolarHBondContact O-N 3.37Å; E742-R744 PolarHBondContact O-N 3.08Å; R744-Q748 PolarHBondContact O-N 2.79Å; R744-Q748 VanDerWaalsContact O-N 3.13Å |
| 745 | K | 56.5 | Low | 49.9 | Very low | 157 Ų | 157 | 133 Ų | 133 | 68% | 0.683 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -65.3 | -39.4 | 174.2 | -77.6 | -176.9 | 175.7 | 176.1 | 0 | 112.8 | S741 E742 K749 | S741-K745 PolarHBondContact O-N 3.33Å; E742-K745 PolarHBondContact O-N 2.82Å; K745-K749 PolarHBondContact O-N 3.1Å |
| 746 | R | 57.3 | Low | 50.8 | Low | 192 Ų | 192 | 133.1 Ų | 133.1 | 73% | 0.725 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -65.5 | -44.3 | 176.7 | -75.2 | -173.2 | 173 | -160.7 | -1.6 | 112.1 | E742 K743 Q748 K749 V750 | E742-R746 PolarHBondContact O-N 2.89Å; K743-R746 PolarHBondContact O-N 2.84Å; R746-Q748 PolarHBondContact O-N 2.68Å; R746-K749 PolarHBondContact O-N 3.46Å; R746-V750 PolarHBondContact O-N 3.29Å |
| 747 | Q | 53.8 | Low | 51.5 | Low | 147 Ų | 147 | 131.5 Ų | 131.5 | 69% | 0.687 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -63.3 | -39.8 | 177.1 | -75.2 | -178 | -12.2 | 0 | 0 | 112.7 | K743 K749 V750 F751 | K743-Q747 WeakPolarHBondContact O-CG 3.5Å; K743-Q747 PolarHBondContact O-N 3.34Å; Q747-K749 VanDerWaalsContact C-N 3.33Å; Q747-K749 PolarHBondContact O-N 2.96Å; Q747-V750 PolarHBondContact O-N 3.4Å; Q747-F751 PolarHBondContact O-N 2.71Å |
| 748 | Q | 52.8 | Low | 51.8 | Low | 130 Ų | 130 | 128.3 Ų | 128.3 | 61% | 0.607 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -62 | -40.7 | 176.5 | -171.8 | 169.7 | 6.2 | 0 | 0 | 112.2 | R744 R746 V750 F751 D752 | R744-Q748 PolarHBondContact O-N 2.79Å; R744-Q748 VanDerWaalsContact O-N 3.13Å; R746-Q748 PolarHBondContact O-N 2.68Å; Q748-V750 PolarHBondContact O-N 2.74Å; Q748-F751 WeakPolarHBondContact O-CB 3.46Å; Q748-F751 PolarHBondContact O-N 3.43Å; Q748-D752 PolarHBondContact O-N 2.94Å; Q748-D752 VanDerWaalsContact O-N 3.15Å |
| 749 | K | 58.1 | Low | 51.8 | Low | 143 Ų | 143 | 132.1 Ų | 132.1 | 62% | 0.622 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -70.7 | -31.9 | -178.3 | -164.8 | 161.8 | -175.2 | 175.2 | 0 | 113.8 | K745 R746 Q747 F751 D752 D753 | K745-K749 PolarHBondContact O-N 3.1Å; R746-K749 PolarHBondContact O-N 3.46Å; Q747-K749 VanDerWaalsContact C-N 3.33Å; Q747-K749 PolarHBondContact O-N 2.96Å; K749-F751 VanDerWaalsContact C-N 3.32Å; K749-D752 PolarHBondContact O-N 3.01Å; K749-D753 PolarHBondContact O-N 2.73Å |
| 750 | V | 57.5 | Low | 51.4 | Low | 85 Ų | 85 | 129.1 Ų | 129.1 | 52% | 0.515 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -64.6 | -39.6 | 171.4 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | R746 Q747 Q748 D752 D753 E754 | R746-V750 PolarHBondContact O-N 3.29Å; Q747-V750 PolarHBondContact O-N 3.4Å; Q748-V750 PolarHBondContact O-N 2.74Å; V750-D752 VanDerWaalsContact C-N 3.35Å; V750-D752 PolarHBondContact O-N 2.76Å; V750-D753 PolarHBondContact O-N 3.21Å; V750-E754 PolarHBondContact O-N 2.82Å |
| 751 | F | 47.8 | Very low | 50.5 | Low | 130 Ų | 130 | 133.4 Ų | 133.4 | 57% | 0.57 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -64.3 | -37.4 | 178.5 | -151.8 | -92.8 | 0 | 0 | 0 | 112.7 | Q747 Q748 K749 F755 | Q747-F751 PolarHBondContact O-N 2.71Å; Q748-F751 WeakPolarHBondContact O-CB 3.46Å; Q748-F751 PolarHBondContact O-N 3.43Å; K749-F751 VanDerWaalsContact C-N 3.32Å; F751-F755 HydrophobicContact CD1-CD2 4.24Å; F751-F755 HydrophobicContact CD1-CE2 4.31Å; F751-F755 HydrophobicContact CE1-CD2 4.07Å; F751-F755 AromaticContact CE1-CE2 3.67Å; F751-F755 HydrophobicContact CE1-CE2 3.67Å; F751-F755 HydrophobicContact CZ-CE2 4.16Å; F751-F755 PolarHBondContact O-N 3.05Å |
| 752 | D | 53.2 | Low | 50.2 | Low | 97 Ų | 97 | 135.3 Ų | 135.3 | 52% | 0.519 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -70.1 | -34 | 176.2 | -68 | -31.2 | 0 | 0 | 0 | 112.7 | Q748 K749 V750 | Q748-D752 PolarHBondContact O-N 2.94Å; Q748-D752 VanDerWaalsContact O-N 3.15Å; K749-D752 PolarHBondContact O-N 3.01Å; V750-D752 VanDerWaalsContact C-N 3.35Å; V750-D752 PolarHBondContact O-N 2.76Å |
| 753 | D | 58.4 | Low | 49 | Very low | 90 Ų | 90 | 137.4 Ų | 137.4 | 48% | 0.481 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -77.4 | -34 | 178.5 | -77.2 | -26.5 | 0 | 0 | 0 | 112.6 | K749 V750 R756 N757 | K749-D753 PolarHBondContact O-N 2.73Å; V750-D753 PolarHBondContact O-N 3.21Å; D753-R756 PolarHBondContact O-N 2.69Å; D753-N757 PolarHBondContact O-ND2 2.82Å |
| 754 | E | 55.3 | Low | 48.1 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 62% | 0.617 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -63.6 | -39.6 | 174.2 | -77.3 | -175.8 | 165.3 | 0 | 0 | 112.1 | V750 R756 N757 | V750-E754 PolarHBondContact O-N 2.82Å; E754-R756 VanDerWaalsContact C-N 3.27Å; E754-R756 PolarHBondContact O-N 2.76Å; E754-N757 PolarHBondContact O-N 2.81Å |
| 755 | F | 48.1 | Very low | 47.3 | Very low | 156 Ų | 156 | 136 Ų | 136 | 68% | 0.684 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -66.3 | -22.6 | 178.2 | -101.1 | -86.4 | 0 | 0 | 0 | 114.4 | F751 | F751-F755 HydrophobicContact CD1-CD2 4.24Å; F751-F755 HydrophobicContact CD1-CE2 4.31Å; F751-F755 HydrophobicContact CE1-CD2 4.07Å; F751-F755 AromaticContact CE1-CE2 3.67Å; F751-F755 HydrophobicContact CE1-CE2 3.67Å; F751-F755 HydrophobicContact CZ-CE2 4.16Å; F751-F755 PolarHBondContact O-N 3.05Å |
| 756 | R | 49.7 | Very low | 46.3 | Very low | 216 Ų | 216 | 134.2 Ų | 134.2 | 82% | 0.815 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -83.2 | -23.1 | 177.7 | -87 | -167.1 | 172.7 | -123.6 | 0.2 | 114.4 | D753 E754 | D753-R756 PolarHBondContact O-N 2.69Å; E754-R756 VanDerWaalsContact C-N 3.27Å; E754-R756 PolarHBondContact O-N 2.76Å |
| 757 | N | 49.7 | Very low | 45.7 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 70% | 0.701 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -95.1 | -3 | -171.8 | -67.1 | -40.4 | 0 | 0 | 0 | 114.2 | D753 E754 N759 | D753-N757 PolarHBondContact O-ND2 2.82Å; E754-N757 PolarHBondContact O-N 2.81Å; N757-N759 PolarHBondContact O-N 2.8Å |
| 758 | A | 43.7 | Very low | 44.8 | Very low | 81 Ų | 81 | 133.9 Ų | 133.9 | 67% | 0.669 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -1.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 759 | N | 34.7 | Very low | 44 | Very low | 158 Ų | 158 | 137 Ų | 137 | 85% | 0.845 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | 26 | -177.1 | -66.7 | -22.2 | 0 | 0 | 0 | 113.6 | N757 | N757-N759 PolarHBondContact O-N 2.8Š|
| 760 | G | 33.7 | Very low | 42.9 | Very low | 64 Ų | 64 | 135.9 Ų | 135.9 | 66% | 0.66 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 133.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 761 | E | 34.8 | Very low | 41.7 | Very low | 182 Ų | 182 | 139.3 Ų | 139.3 | 85% | 0.85 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 145.2 | -177 | -75.9 | -89.8 | 131.3 | 0 | 0 | 115.1 | | |
| 762 | P | 39.9 | Very low | 40.9 | Very low | 117 Ų | 117 | 138.3 Ų | 138.3 | 76% | 0.76 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 121.1 | -176.4 | 31.5 | -34.3 | 0 | 0 | 0 | 113.4 | | |
| 763 | M | 33.2 | Very low | 39.7 | Very low | 165 Ų | 165 | 142.7 Ų | 142.7 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 143.9 | 175.6 | -74.1 | -72.2 | -70.2 | 0 | 0 | 112.8 | | |
| 764 | P | 36.8 | Very low | 38.3 | Very low | 118 Ų | 118 | 145.7 Ų | 145.7 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 143.2 | -172.4 | 29.8 | -35.6 | 0 | 0 | 0 | 114.3 | | |
| 765 | L | 37.8 | Very low | 37.1 | Very low | 164 Ų | 164 | 146.9 Ų | 146.9 | 86% | 0.859 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 136.1 | -179.1 | -83.8 | 68 | 0 | 0 | 0 | 113 | | |
| 766 | D | 36.9 | Very low | 36.3 | Very low | 121 Ų | 121 | 148.6 Ų | 148.6 | 65% | 0.647 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 121.9 | 169.6 | -179.2 | -2.2 | 0 | 0 | 0 | 111.2 | R768 | D766-R768 VanDerWaalsContact C-N 3.27Å; D766-R768 PolarHBondContact O-N 2.89Å; D766-R768 PolarHBondContact OD1-N 2.89Å |
| 767 | P | 43 | Very low | 35.3 | Very low | 120 Ų | 120 | 140.9 Ų | 140.9 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | | | trans | -72 | -0.4 | -176.2 | -20.1 | 33.7 | 0 | 0 | 0 | 117 | K769 | P767-K769 PolarHBondContact O-N 3.28Š|
| 768 | R | 36.5 | Very low | 34.5 | Very low | 212 Ų | 212 | 142.2 Ų | 142.2 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | | | trans | -90.5 | 20.9 | -164.6 | -73 | -164.9 | 174.2 | 85.5 | -2.6 | 118.1 | D766 | D766-R768 VanDerWaalsContact C-N 3.27Å; D766-R768 PolarHBondContact O-N 2.89Å; D766-R768 PolarHBondContact OD1-N 2.89Å |
| 769 | K | 35.5 | Very low | 33.9 | Very low | 195 Ų | 195 | 146 Ų | 146 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -129.9 | 126.3 | 172 | -71.2 | -175.5 | 179.6 | 176.3 | 0 | 112.8 | P767 | P767-K769 PolarHBondContact O-N 3.28Š|
| 770 | P | 34.6 | Very low | 33.9 | Very low | 119 Ų | 119 | 143.7 Ų | 143.7 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | | | trans | -69.9 | 146.1 | 179.7 | 28.4 | -33.9 | 0 | 0 | 0 | 112.2 | T772 | P770-T772 PolarHBondContact O-N 3.36Å; P770-T772 VanDerWaalsContact O-N 3.08Å |
| 771 | N | 31.8 | Very low | 33.8 | Very low | 157 Ų | 157 | 148 Ų | 148 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | | | trans | -74 | 93.1 | -169.6 | -171.4 | -0.6 | 0 | 0 | 0 | 111.9 | | |
| 772 | T | 32.1 | Very low | 33.9 | Very low | 110 Ų | 110 | 145.6 Ų | 145.6 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | | | trans | -81.4 | 124.2 | 172.7 | -49.4 | 0 | 0 | 0 | 0 | 109.3 | P770 F774 | P770-T772 PolarHBondContact O-N 3.36Å; P770-T772 VanDerWaalsContact O-N 3.08Å; T772-F774 PolarHBondContact O-N 3.48Å |
| 773 | Q | 27.8 | Very low | 34.1 | Very low | 188 Ų | 188 | 145.9 Ų | 145.9 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | | | trans | -56.3 | 104.5 | -175.3 | -67 | 173.4 | -39.5 | 0 | 0 | 112.8 | | |
| 774 | F | 29.4 | Very low | 34.8 | Very low | 153 Ų | 153 | 146.9 Ų | 146.9 | 67% | 0.671 | 77% | 0.769 | S | S | * | * | | | trans | -113.2 | 89.3 | 159.5 | -88.1 | -82.8 | 0 | 0 | 0 | 109.6 | T772 Y776 | T772-F774 PolarHBondContact O-N 3.48Å; F774-Y776 HydrophobicContact CB-CD2 3.97Å; F774-Y776 HydrophobicContact CB-CE2 3.88Å; F774-Y776 AromaticContact CD1-CE2 3.88Å; F774-Y776 HydrophobicContact CD1-CE2 3.88Å; F774-Y776 HydrophobicContact CG-CE2 4.15Å; F774-Y776 PolarHBondContact O-N 3.23Å |
| 775 | N | 29.2 | Very low | 35.3 | Very low | 157 Ų | 157 | 149 Ų | 149 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | | | trans | -73.4 | 80.9 | 168.4 | -173.5 | 10 | 0 | 0 | 0 | 108.9 | G777 | N775-G777 PolarHBondContact O-N 2.86Š|
| 776 | Y | 31.2 | Very low | 36.2 | Very low | 192 Ų | 192 | 146.1 Ų | 146.1 | 75% | 0.753 | 75% | 0.749 | S | S | * | * | | | trans | -69.1 | 89.8 | 166 | -83.1 | -81.1 | 0 | 0 | 0 | 108.5 | F774 I778 | F774-Y776 HydrophobicContact CB-CD2 3.97Å; F774-Y776 HydrophobicContact CB-CE2 3.88Å; F774-Y776 AromaticContact CD1-CE2 3.88Å; F774-Y776 HydrophobicContact CD1-CE2 3.88Å; F774-Y776 HydrophobicContact CG-CE2 4.15Å; F774-Y776 PolarHBondContact O-N 3.23Å; Y776-I778 PolarHBondContact O-N 2.87Å; Y776-I778 VanDerWaalsContact O-N 3.15Å |
| 777 | G | 29 | Very low | 36.7 | Very low | 54 Ų | 54 | 149 Ų | 149 | 56% | 0.557 | 75% | 0.752 | S | S | * | * | | | trans | -54.7 | 119.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109 | N775 L779 | N775-G777 PolarHBondContact O-N 2.86Å; G777-L779 PolarHBondContact O-N 3.38Å |
| 778 | I | 32 | Very low | 37.1 | Very low | 159 Ų | 159 | 150.1 Ų | 150.1 | 82% | 0.815 | 75% | 0.75 | S | S | * | * | | | trans | -53.7 | 111.9 | 164.2 | -65.1 | 163.1 | 0 | 0 | 0 | 106.1 | Y776 P780 | Y776-I778 PolarHBondContact O-N 2.87Å; Y776-I778 VanDerWaalsContact O-N 3.15Å; I778-P780 WeakPolarHBondContact O-CD 3.46Å |
| 779 | L | 31.2 | Very low | 38 | Very low | 161 Ų | 161 | 142.7 Ų | 142.7 | 84% | 0.843 | 73% | 0.734 | S | S | * | * | | | trans | -72.2 | 109.1 | 170.1 | -73 | 168.5 | 0 | 0 | 0 | 107.6 | G777 | G777-L779 PolarHBondContact O-N 3.38Š|
| 780 | P | 36.4 | Very low | 38.9 | Very low | 109 Ų | 109 | 138.2 Ų | 138.2 | 71% | 0.708 | 72% | 0.716 | S | S | * | * | | | trans | -72.9 | 147.2 | 167.7 | -4.9 | 26.3 | 0 | 0 | 0 | 107.5 | I778 | I778-P780 WeakPolarHBondContact O-CD 3.46Š|
| 781 | H | 30.7 | Very low | 39.5 | Very low | 154 Ų | 154 | 135.9 Ų | 135.9 | 71% | 0.713 | 71% | 0.707 | S | S | * | * | | | trans | -56.9 | 148.5 | -178.5 | -81.1 | -113.4 | 0 | 0 | 0 | 112.4 | D783 | H781-D783 PolarHBondContact O-N 3Š|
| 782 | P | 36.8 | Very low | 40.6 | Very low | 132 Ų | 132 | 135.4 Ų | 135.4 | 86% | 0.857 | 70% | 0.7 | S | S | * | * | | | trans | -78.1 | 56.7 | 177.6 | 35.8 | -37.2 | 0 | 0 | 0 | 111.2 | | |
| 783 | D | 44.3 | Very low | 41.8 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 66% | 0.663 | 70% | 0.703 | S | S | * | * | | | trans | -100.9 | 143.1 | 176.2 | -70.8 | -43.4 | 0 | 0 | 0 | 110.9 | H781 | H781-D783 PolarHBondContact O-N 3Š|
| 784 | E | 48.5 | Very low | 42.6 | Very low | 186 Ų | 186 | 137.4 Ų | 137.4 | 87% | 0.869 | 70% | 0.699 | S | S | * | * | | | trans | 68.8 | 86.1 | 172.2 | -56.7 | -171.9 | -167.1 | 0 | 0 | 116.8 | N786 | E784-N786 PolarHBondContact O-N 3.04Š|
| 785 | Y | 45.7 | Very low | 43.1 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 64% | 0.635 | 70% | 0.699 | S | S | * | * | | | trans | -53.8 | 99.4 | 161.6 | -154.1 | -95.8 | 0 | 0 | 0 | 110.4 | Y787 | Y785-Y787 HydrophobicContact CD1-CE1 4.47Å; Y785-Y787 VanDerWaalsContact O-CD2 3.23Å; Y785-Y787 WeakPolarHBondContact O-CD2 3.39Å; Y785-Y787 PolarHBondContact O-N 3.32Å |
| 786 | N | 58.2 | Low | 43.8 | Very low | 104 Ų | 104 | 135.4 Ų | 135.4 | 56% | 0.556 | 69% | 0.694 | S | S | * | * | | | trans | -80.3 | 89.9 | -169.5 | -169.9 | -7.5 | 0 | 0 | 0 | 111.4 | E784 L788 A789 | E784-N786 PolarHBondContact O-N 3.04Å; N786-L788 PolarHBondContact O-N 2.73Å; N786-L788 PolarHBondContact OD1-N 3.1Å; N786-A789 WeakPolarHBondContact O-CB 3.5Å; N786-A789 PolarHBondContact O-N 2.94Å |
| 787 | Y | 47.1 | Very low | 44.4 | Very low | 181 Ų | 181 | 130.8 Ų | 130.8 | 71% | 0.71 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -54 | -16.6 | -178.8 | -72.9 | -86.2 | 0 | 0 | 0 | 115.2 | Y785 | Y785-Y787 HydrophobicContact CD1-CE1 4.47Å; Y785-Y787 VanDerWaalsContact O-CD2 3.23Å; Y785-Y787 WeakPolarHBondContact O-CD2 3.39Å; Y785-Y787 PolarHBondContact O-N 3.32Å |
| 788 | L | 51.5 | Low | 44.8 | Very low | 143 Ų | 143 | 134 Ų | 134 | 75% | 0.749 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -73.8 | -28.4 | 173.3 | -64.1 | 174.9 | 0 | 0 | 0 | 112.7 | N786 | N786-L788 PolarHBondContact O-N 2.73Å; N786-L788 PolarHBondContact OD1-N 3.1Å |
| 789 | A | 54.8 | Low | 44.9 | Very low | 57 Ų | 57 | 132.3 Ų | 132.3 | 47% | 0.471 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -77.6 | -25.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | N786 | N786-A789 WeakPolarHBondContact O-CB 3.5Å; N786-A789 PolarHBondContact O-N 2.94Å |
| 790 | E | 54.7 | Low | 45.2 | Very low | 100 Ų | 100 | 133 Ų | 133 | 47% | 0.467 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -81.9 | -30.4 | 172.2 | -73.6 | -158.1 | 131.9 | 0 | 0 | 112.9 | E792 K793 | E790-E792 PolarHBondContact O-N 3.15Å; E790-K793 PolarHBondContact O-N 2.94Å; E790-K793 VanDerWaalsContact O-N 3.1Å |
| 791 | A | 47.4 | Very low | 44.9 | Very low | 71 Ų | 71 | 132.5 Ų | 132.5 | 59% | 0.587 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -60.9 | -26.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 792 | E | 54.2 | Low | 45 | Very low | 147 Ų | 147 | 129 Ų | 129 | 69% | 0.687 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -19.6 | 177.9 | -150.6 | 158.7 | -138.2 | 0 | 0 | 113.6 | E790 Q794 | E790-E792 PolarHBondContact O-N 3.15Å; E792-Q794 VanDerWaalsContact C-N 3.26Å; E792-Q794 PolarHBondContact O-N 3.24Å |
| 793 | K | 56.8 | Low | 45 | Very low | 171 Ų | 171 | 132 Ų | 132 | 74% | 0.743 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -9.4 | 173.5 | -68.6 | -178.2 | -179.8 | -179.9 | 0 | 113.9 | E790 K795 | E790-K793 PolarHBondContact O-N 2.94Å; E790-K793 VanDerWaalsContact O-N 3.1Å; K793-K795 VanDerWaalsContact C-N 3.32Å |
| 794 | Q | 45.3 | Very low | 44.6 | Very low | 169 Ų | 169 | 131.8 Ų | 131.8 | 79% | 0.79 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | 25.6 | 175.9 | -76.2 | -76.3 | 0.9 | 0 | 0 | 113.3 | E792 | E792-Q794 VanDerWaalsContact C-N 3.26Å; E792-Q794 PolarHBondContact O-N 3.24Å |
| 795 | K | 40.7 | Very low | 43.8 | Very low | 154 Ų | 154 | 127.7 Ų | 127.7 | 67% | 0.67 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -102.7 | 121.6 | 160.7 | -72.8 | 179.4 | -177.5 | 165.8 | 0 | 108.5 | K793 S797 | K793-K795 VanDerWaalsContact C-N 3.32Å; K795-S797 PolarHBondContact O-N 2.82Å |
| 796 | P | 43.7 | Very low | 43.3 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 74% | 0.74 | 68% | 0.679 | S | S | * | * | | | trans | -63.1 | 124.7 | 175.6 | 25.6 | -32.5 | 0 | 0 | 0 | 109.6 | I798 | P796-I798 PolarHBondContact O-N 3.18Å; P796-I798 VanDerWaalsContact O-N 3.12Å |
| 797 | S | 43.1 | Very low | 42.1 | Very low | 94 Ų | 94 | 130.6 Ų | 130.6 | 66% | 0.657 | 69% | 0.687 | S | S | * | * | | | trans | -64.5 | 109.2 | 161.3 | -169.1 | 0 | 0 | 0 | 0 | 106.9 | K795 D799 | K795-S797 PolarHBondContact O-N 2.82Å; S797-D799 WeakPolarHBondContact CB-OD1 3.34Å; S797-D799 PolarHBondContact O-N 2.98Å; S797-D799 PolarHBondContact OG-OD1 2.97Å |
| 798 | I | 37.1 | Very low | 41.4 | Very low | 121 Ų | 121 | 126.9 Ų | 126.9 | 62% | 0.621 | 69% | 0.687 | S | S | * | * | | | trans | -86.4 | 103.7 | 161.5 | -70.8 | 177.5 | 0 | 0 | 0 | 105.1 | P796 F800 | P796-I798 PolarHBondContact O-N 3.18Å; P796-I798 VanDerWaalsContact O-N 3.12Å; I798-F800 VanDerWaalsContact C-N 3.32Å; I798-F800 HydrophobicContact CB-CD2 4.43Å; I798-F800 HydrophobicContact CB-CE2 4.3Å; I798-F800 HydrophobicContact CG2-CD2 3.66Å; I798-F800 HydrophobicContact CG2-CE2 3.47Å; I798-F800 VanDerWaalsContact CG2-CE2 3.47Å; I798-F800 HydrophobicContact CG2-CG 4.37Å; I798-F800 HydrophobicContact CG2-CZ 4.04Å; I798-F800 PolarHBondContact O-N 3.32Å |
| 799 | D | 34.6 | Very low | 40.7 | Very low | 124 Ų | 124 | 125.1 Ų | 125.1 | 66% | 0.663 | 69% | 0.687 | S | S | * | * | | | trans | -70.9 | 89.6 | 179.4 | -58.2 | -27.7 | 0 | 0 | 0 | 108.7 | S797 A801 | S797-D799 WeakPolarHBondContact CB-OD1 3.34Å; S797-D799 PolarHBondContact O-N 2.98Å; S797-D799 PolarHBondContact OG-OD1 2.97Å; D799-A801 PolarHBondContact O-N 3.01Å |
| 800 | F | 36.9 | Very low | 39.7 | Very low | 175 Ų | 175 | 130.3 Ų | 130.3 | 77% | 0.768 | 71% | 0.706 | S | S | * | * | | | trans | -73.1 | 63.1 | 171 | -84.7 | -76.5 | 0 | 0 | 0 | 111 | I798 | I798-F800 VanDerWaalsContact C-N 3.32Å; I798-F800 HydrophobicContact CB-CD2 4.43Å; I798-F800 HydrophobicContact CB-CE2 4.3Å; I798-F800 HydrophobicContact CG2-CD2 3.66Å; I798-F800 HydrophobicContact CG2-CE2 3.47Å; I798-F800 VanDerWaalsContact CG2-CE2 3.47Å; I798-F800 HydrophobicContact CG2-CG 4.37Å; I798-F800 HydrophobicContact CG2-CZ 4.04Å; I798-F800 PolarHBondContact O-N 3.32Å |
| 801 | A | 31.4 | Very low | 38.6 | Very low | 100 Ų | 100 | 136.4 Ų | 136.4 | 83% | 0.826 | 73% | 0.726 | S | S | * | * | | | trans | -113 | 43.8 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | D799 | D799-A801 PolarHBondContact O-N 3.01Š|
| 802 | S | 32.6 | Very low | 37.8 | Very low | 79 Ų | 79 | 136.1 Ų | 136.1 | 55% | 0.552 | 73% | 0.73 | S | S | * | * | | | trans | -120.2 | 106.5 | 171.8 | 171.1 | 0 | 0 | 0 | 0 | 107.3 | L804 | S802-L804 PolarHBondContact O-N 2.7Š|
| 803 | E | 35.5 | Very low | 36.8 | Very low | 197 Ų | 197 | 139.2 Ų | 139.2 | 92% | 0.921 | 74% | 0.741 | S | S | * | * | | | trans | -65.5 | 79.9 | 177.8 | -63.1 | 177.1 | 173.1 | 0 | 0 | 110.4 | S805 | E803-S805 VanDerWaalsContact C-N 3.28Å; E803-S805 PolarHBondContact O-N 2.69Å |
| 804 | L | 37 | Very low | 35.8 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 62% | 0.618 | 75% | 0.746 | S | S | * | * | | | trans | -72.1 | 93 | 167.6 | -71.3 | -179.8 | 0 | 0 | 0 | 108.1 | S802 Y806 | S802-L804 PolarHBondContact O-N 2.7Å; L804-Y806 HydrophobicContact CB-CD2 4.28Å; L804-Y806 HydrophobicContact CB-CE2 4.25Å; L804-Y806 PolarHBondContact O-N 3.34Å |
| 805 | S | 31.6 | Very low | 35.1 | Very low | 101 Ų | 101 | 135.1 Ų | 135.1 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | | | trans | -47.7 | 97.2 | 164.5 | -175.9 | 0 | 0 | 0 | 0 | 110 | E803 D807 | E803-S805 VanDerWaalsContact C-N 3.28Å; E803-S805 PolarHBondContact O-N 2.69Å; S805-D807 PolarHBondContact O-N 3.36Å |
| 806 | Y | 36 | Very low | 34.7 | Very low | 191 Ų | 191 | 136.5 Ų | 136.5 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | | | trans | -90.6 | 80.9 | 167.4 | -94.4 | -85.8 | 0 | 0 | 0 | 108.4 | L804 S808 | L804-Y806 HydrophobicContact CB-CD2 4.28Å; L804-Y806 HydrophobicContact CB-CE2 4.25Å; L804-Y806 PolarHBondContact O-N 3.34Å; Y806-S808 PolarHBondContact O-N 3.01Å; Y806-S808 PolarHBondContact O-OG 3.44Å |
| 807 | D | 32.1 | Very low | 33.9 | Very low | 136 Ų | 136 | 134.5 Ų | 134.5 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | | | trans | -54.9 | 86.8 | 161.9 | -104 | -37.4 | 0 | 0 | 0 | 109.1 | S805 S809 | S805-D807 PolarHBondContact O-N 3.36Å; D807-S809 PolarHBondContact O-N 2.8Å; D807-S809 PolarHBondContact O-OG 2.81Å |
| 808 | S | 33.1 | Very low | 33.4 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | | | trans | -80.9 | 53.3 | -175.2 | -62.2 | 0 | 0 | 0 | 0 | 110.4 | Y806 L810 | Y806-S808 PolarHBondContact O-N 3.01Å; Y806-S808 PolarHBondContact O-OG 3.44Å; S808-L810 VanDerWaalsContact C-N 3.27Å; S808-L810 PolarHBondContact O-N 3.11Å |
| 809 | S | 35.7 | Very low | 33.3 | Very low | 105 Ų | 105 | 135.4 Ų | 135.4 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -4 | -176.7 | 56.7 | 0 | 0 | 0 | 0 | 113.8 | D807 | D807-S809 PolarHBondContact O-N 2.8Å; D807-S809 PolarHBondContact O-OG 2.81Å |
| 810 | L | 34.3 | Very low | 33.1 | Very low | 166 Ų | 166 | 140.6 Ų | 140.6 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | 13.4 | -174.1 | -151.9 | 68.8 | 0 | 0 | 0 | 115.3 | S808 | S808-L810 VanDerWaalsContact C-N 3.27Å; S808-L810 PolarHBondContact O-N 3.11Å |
| 811 | Y | 31.6 | Very low | 32.9 | Very low | 229 Ų | 229 | 141.6 Ų | 141.6 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -101.6 | 94.3 | 162.8 | -113.7 | -95.8 | 0 | 0 | 0 | 110.9 | K813 | Y811-K813 PolarHBondContact O-N 2.93Å; Y811-K813 VanDerWaalsContact O-N 3.16Å |
| 812 | G | 30.2 | Very low | 32.9 | Very low | 64 Ų | 64 | 145.2 Ų | 145.2 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | | | trans | -60.6 | 112.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T814 | G812-T814 PolarHBondContact O-N 3.03Å; G812-T814 VanDerWaalsContact O-N 3.14Å |
| 813 | K | 33.5 | Very low | 33.2 | Very low | 212 Ų | 212 | 146.3 Ų | 146.3 | 92% | 0.922 | 79% | 0.79 | S | S | * | * | | | trans | -15.7 | 102.8 | 158.7 | -58.3 | 169.2 | -176.2 | 175 | 0 | 114.2 | Y811 | Y811-K813 PolarHBondContact O-N 2.93Å; Y811-K813 VanDerWaalsContact O-N 3.16Å |
| 814 | T | 36.1 | Very low | 33.4 | Very low | 141 Ų | 141 | 142.5 Ų | 142.5 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | | | trans | -95 | 135 | 151.9 | 51.4 | 0 | 0 | 0 | 0 | 109 | G812 | G812-T814 PolarHBondContact O-N 3.03Å; G812-T814 VanDerWaalsContact O-N 3.14Å |
| 815 | S | 29.8 | Very low | 33.3 | Very low | 113 Ų | 113 | 144.9 Ų | 144.9 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | | | trans | -72.8 | 138.3 | -165.7 | 53.6 | 0 | 0 | 0 | 0 | 114 | | |
| 816 | Q | 32.5 | Very low | 33.6 | Very low | 184 Ų | 184 | 147.6 Ų | 147.6 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | 29.6 | 115 | 132.2 | -65.3 | -68.4 | -26.3 | 0 | 0 | 118.2 | | |
| 817 | G | 27.3 | Very low | 33.4 | Very low | 72 Ų | 72 | 145.6 Ų | 145.6 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | | | trans | 74.2 | 85 | 133.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 818 | S | 33.8 | Very low | 33.5 | Very low | 114 Ų | 114 | 148.2 Ų | 148.2 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | | | trans | -134.2 | 85.6 | 149.6 | 172.1 | 0 | 0 | 0 | 0 | 110.4 | R820 | S818-R820 VanDerWaalsContact C-N 3.25Å; S818-R820 PolarHBondContact O-N 3.01Å |
| 819 | C | 33.3 | Very low | 33.6 | Very low | 119 Ų | 119 | 149 Ų | 149 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | -68.9 | 73.4 | 179.1 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | K821 | C819-K821 VanDerWaalsContact C-N 3.33Å; C819-K821 PolarHBondContact O-N 3.22Å |
| 820 | R | 31 | Very low | 33.7 | Very low | 234 Ų | 234 | 153.3 Ų | 153.3 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | | | trans | -75 | 89.8 | 174.8 | -162.7 | 169.4 | -172.6 | 162.6 | 2.4 | 109.7 | S818 Q822 | S818-R820 VanDerWaalsContact C-N 3.25Å; S818-R820 PolarHBondContact O-N 3.01Å; R820-Q822 PolarHBondContact O-N 3.46Å; R820-Q822 VanDerWaalsContact O-N 3.12Å |
| 821 | K | 33.8 | Very low | 33.6 | Very low | 195 Ų | 195 | 156 Ų | 156 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | | | trans | -38.8 | 109.9 | 179.2 | -60.4 | 175.8 | -179 | 178.3 | 0 | 112 | C819 | C819-K821 VanDerWaalsContact C-N 3.33Å; C819-K821 PolarHBondContact O-N 3.22Å |
| 822 | Q | 30.8 | Very low | 33.8 | Very low | 176 Ų | 176 | 153.4 Ų | 153.4 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -71 | 127.6 | 158.5 | -73.3 | -72.8 | -6.3 | 0 | 0 | 107.6 | R820 | R820-Q822 PolarHBondContact O-N 3.46Å; R820-Q822 VanDerWaalsContact O-N 3.12Å |
| 823 | P | 38.6 | Very low | 34.1 | Very low | 102 Ų | 102 | 156.3 Ų | 156.3 | 66% | 0.662 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 150.3 | -178.9 | 27.2 | -33.3 | 0 | 0 | 0 | 111.4 | I825 | P823-I825 PolarHBondContact O-N 3.16Š|
| 824 | P | 39.9 | Very low | 34.2 | Very low | 118 Ų | 118 | 156.1 Ų | 156.1 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 136.6 | -171.8 | -23.2 | 34.2 | 0 | 0 | 0 | 113.8 | K826 | P824-K826 PolarHBondContact O-N 3.34Š|
| 825 | I | 34.7 | Very low | 34.4 | Very low | 168 Ų | 168 | 158.6 Ų | 158.6 | 86% | 0.862 | 79% | 0.786 | S | S | * | * | | | trans | -64.5 | 102.7 | 171.8 | -61.6 | 167.9 | 0 | 0 | 0 | 108.3 | P823 H827 | P823-I825 PolarHBondContact O-N 3.16Å; I825-H827 PolarHBondContact O-N 3.25Å |
| 826 | K | 36.9 | Very low | 35.2 | Very low | 157 Ų | 157 | 157.7 Ų | 157.7 | 68% | 0.683 | 78% | 0.779 | S | S | * | * | | | trans | -83.3 | 106.4 | 171.9 | -70.4 | -170.9 | 178.2 | -176.2 | 0 | 109.6 | P824 Y828 | P824-K826 PolarHBondContact O-N 3.34Å; K826-Y828 HydrophobicContact CB-CD2 3.96Å; K826-Y828 HydrophobicContact CB-CE2 3.86Å; K826-Y828 HydrophobicContact CD-CE2 4Å; K826-Y828 PolarHBondContact O-N 3.13Å |
| 827 | H | 32 | Very low | 35.8 | Very low | 149 Ų | 149 | 156.4 Ų | 156.4 | 69% | 0.69 | 78% | 0.778 | S | S | * | * | | | trans | -62.6 | 111.6 | 167.7 | -144.3 | -91.2 | 0 | 0 | 0 | 108.5 | I825 D829 | I825-H827 PolarHBondContact O-N 3.25Å; H827-D829 IonicContact CE1-OD1 2.8Å; H827-D829 PolarHBondContact CE1-OD1 3.11Å; H827-D829 IonicContact CE1-OD2 2.8Å; H827-D829 PolarHBondContact CE1-OD2 3.04Å; H827-D829 IonicContact CG-OD2 2.7Å; H827-D829 IonicContact ND1-OD1 3.12Å; H827-D829 IonicContact ND1-OD2 2.79Å; H827-D829 PolarHBondContact ND1-OD2 3.5Å |
| 828 | Y | 35.4 | Very low | 36.6 | Very low | 191 Ų | 191 | 161.6 Ų | 161.6 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | | | trans | -117.9 | 86.1 | 169.5 | -86.6 | -73.5 | 0 | 0 | 0 | 109.2 | K826 K830 | K826-Y828 HydrophobicContact CB-CD2 3.96Å; K826-Y828 HydrophobicContact CB-CE2 3.86Å; K826-Y828 HydrophobicContact CD-CE2 4Å; K826-Y828 PolarHBondContact O-N 3.13Å; Y828-K830 PolarHBondContact O-N 3Å; Y828-K830 VanDerWaalsContact O-N 3.13Å |
| 829 | D | 34 | Very low | 37 | Very low | 121 Ų | 121 | 161.9 Ų | 161.9 | 65% | 0.647 | 78% | 0.779 | S | S | * | * | | | trans | -66.2 | 106.3 | 161.3 | -60.1 | -68.3 | 0 | 0 | 0 | 108.7 | H827 | H827-D829 IonicContact CE1-OD1 2.8Å; H827-D829 PolarHBondContact CE1-OD1 3.11Å; H827-D829 IonicContact CE1-OD2 2.8Å; H827-D829 PolarHBondContact CE1-OD2 3.04Å; H827-D829 IonicContact CG-OD2 2.7Å; H827-D829 IonicContact ND1-OD1 3.12Å; H827-D829 IonicContact ND1-OD2 2.79Å; H827-D829 PolarHBondContact ND1-OD2 3.5Å |
| 830 | K | 37.5 | Very low | 37.5 | Very low | 195 Ų | 195 | 165.2 Ų | 165.2 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | | | trans | -156.2 | 108.3 | 155.3 | -109.5 | 157.5 | -165.8 | -176.3 | 0 | 110 | Y828 | Y828-K830 PolarHBondContact O-N 3Å; Y828-K830 VanDerWaalsContact O-N 3.13Å |
| 831 | Y | 32 | Very low | 38 | Very low | 222 Ų | 222 | 165.5 Ų | 165.5 | 87% | 0.871 | 78% | 0.784 | S | S | * | * | | | trans | -36.1 | 140.9 | 164.1 | -61 | -101.2 | 0 | 0 | 0 | 112.4 | | |
| 832 | K | 36.3 | Very low | 38.2 | Very low | 174 Ų | 174 | 164.6 Ų | 164.6 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | | | | -169 | 119.8 | 117.4 | -97.6 | -67 | 168.7 | -170.1 | 0 | 113.3 | | |
| 833 | D | 37.6 | Very low | 39.7 | Very low | 125 Ų | 125 | 161.5 Ų | 161.5 | 67% | 0.668 | 78% | 0.777 | S | S | * | * | | | trans | 44.2 | 105.9 | 146.2 | -53.1 | -18 | 0 | 0 | 0 | 120.2 | K835 | D833-K835 PolarHBondContact O-N 2.78Š|
| 834 | K | 34.2 | Very low | 40.4 | Very low | 208 Ų | 208 | 162.2 Ų | 162.2 | 90% | 0.904 | 78% | 0.782 | S | S | * | * | | | trans | -60.5 | 113.3 | 168.7 | -59.6 | 179.5 | -178.8 | -179.4 | 0 | 111.2 | | |
| 835 | K | 40.6 | Very low | 40.6 | Very low | 194 Ų | 194 | 161.9 Ų | 161.9 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | | | trans | -91.5 | 105.6 | 146.3 | -73 | -169.1 | 178.9 | -178.8 | 0 | 107.8 | D833 D837 | D833-K835 PolarHBondContact O-N 2.78Å; K835-D837 PolarHBondContact O-N 3.11Å |
| 836 | S | 46.9 | Very low | 41 | Very low | 93 Ų | 93 | 160 Ų | 160 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | | | trans | -76.7 | 107.5 | 171.4 | 54.3 | 0 | 0 | 0 | 0 | 108.8 | K838 | S836-K838 PolarHBondContact O-N 3.19Š|
| 837 | D | 45 | Very low | 41.4 | Very low | 158 Ų | 158 | 160.9 Ų | 160.9 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | | | trans | -60.2 | 102.3 | 171.5 | -68.2 | -42.3 | 0 | 0 | 0 | 109.4 | K835 P839 | K835-D837 PolarHBondContact O-N 3.11Å; D837-P839 WeakPolarHBondContact O-CD 3.19Å |
| 838 | K | 43.5 | Very low | 41.9 | Very low | 181 Ų | 181 | 159 Ų | 159 | 79% | 0.787 | 79% | 0.786 | S | S | * | * | | | trans | -71.1 | 121.9 | 176.4 | -80.2 | 175.2 | 175.8 | 171.6 | 0 | 107.8 | S836 H840 | S836-K838 PolarHBondContact O-N 3.19Å; K838-H840 PolarHBondContact O-N 2.82Å |
| 839 | P | 43.3 | Very low | 42.5 | Very low | 119 Ų | 119 | 156.6 Ų | 156.6 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | | | trans | -61.8 | 135.4 | 178.4 | 25.4 | -33.7 | 0 | 0 | 0 | 109.9 | D837 R841 | D837-P839 WeakPolarHBondContact O-CD 3.19Å; P839-R841 PolarHBondContact O-N 2.87Å |
| 840 | H | 44.2 | Very low | 42.9 | Very low | 190 Ų | 190 | 158.2 Ų | 158.2 | 88% | 0.88 | 79% | 0.793 | S | S | * | * | | | trans | -54.4 | 103.5 | 179.9 | -72 | -84.8 | 0 | 0 | 0 | 111.2 | K838 | K838-H840 PolarHBondContact O-N 2.82Š|
| 841 | R | 40.4 | Very low | 43.1 | Very low | 240 Ų | 240 | 156 Ų | 156 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 125.8 | 158.1 | -85.9 | -172.5 | 169.4 | -166.6 | -2.7 | 107.8 | P839 | P839-R841 PolarHBondContact O-N 2.87Š|
| 842 | H | 39.1 | Very low | 43.2 | Very low | 176 Ų | 176 | 151.8 Ų | 151.8 | 82% | 0.815 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 139.5 | 168.7 | -69.5 | -83.6 | 0 | 0 | 0 | 109.9 | | |
| 843 | P | 61.3 | Low | 42.9 | Very low | 111 Ų | 111 | 153 Ų | 153 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 142.9 | -175.4 | 25.7 | -34.1 | 0 | 0 | 0 | 111 | | |
| 844 | P | 53.5 | Low | 43 | Very low | 116 Ų | 116 | 153.8 Ų | 153.8 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 148.7 | 173.8 | 28 | -34 | 0 | 0 | 0 | 110.6 | | |
| 845 | P | 44.1 | Very low | 42.9 | Very low | 111 Ų | 111 | 153 Ų | 153 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 152.4 | -179.6 | 26.2 | -34.3 | 0 | 0 | 0 | 111.8 | Q847 | P845-Q847 PolarHBondContact O-N 2.99Š|
| 846 | P | 42.5 | Very low | 42.6 | Very low | 129 Ų | 129 | 154.9 Ų | 154.9 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 132.2 | -173.1 | -22 | 33.1 | 0 | 0 | 0 | 112.2 | | |
| 847 | Q | 46.3 | Very low | 42 | Very low | 175 Ų | 175 | 157 Ų | 157 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 146.3 | 168.2 | -67.2 | -160 | -15 | 0 | 0 | 110.1 | P845 | P845-Q847 PolarHBondContact O-N 2.99Š|
| 848 | P | 42.8 | Very low | 41.5 | Very low | 111 Ų | 111 | 156.1 Ų | 156.1 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 140.6 | 177.9 | 25.2 | -33.2 | 0 | 0 | 0 | 110.7 | D850 | P848-D850 PolarHBondContact O-N 3.12Š|
| 849 | I | 47.4 | Very low | 41.4 | Very low | 140 Ų | 140 | 153.4 Ų | 153.4 | 72% | 0.718 | 79% | 0.787 | S | S | * | * | | | trans | -79.3 | 100.6 | 179.3 | -65.5 | 160.2 | 0 | 0 | 0 | 107.3 | H851 | I849-H851 PolarHBondContact O-CD2 2.89Å; I849-H851 PolarHBondContact O-N 3.08Å |
| 850 | D | 42.2 | Very low | 41.1 | Very low | 154 Ų | 154 | 155.3 Ų | 155.3 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | | | trans | -72 | 114.2 | 168.7 | -74.2 | -34.4 | 0 | 0 | 0 | 108.7 | P848 | P848-D850 PolarHBondContact O-N 3.12Š|
| 851 | H | 41.4 | Very low | 40.9 | Very low | 149 Ų | 149 | 152.3 Ų | 152.3 | 69% | 0.69 | 78% | 0.781 | S | S | * | * | | | trans | -75.6 | 131.8 | -173.5 | -84.3 | -88.7 | 0 | 0 | 0 | 113 | I849 | I849-H851 PolarHBondContact O-CD2 2.89Å; I849-H851 PolarHBondContact O-N 3.08Å |
| 852 | D | 34.2 | Very low | 40.7 | Very low | 134 Ų | 134 | 146.1 Ų | 146.1 | 72% | 0.717 | 77% | 0.774 | S | S | * | * | | | trans | 56.5 | 99.7 | 149.3 | -60.3 | -50.4 | 0 | 0 | 0 | 119.4 | T854 | D852-T854 PolarHBondContact O-N 3.31Š|
| 853 | Q | 31.2 | Very low | 40.6 | Very low | 200 Ų | 200 | 144 Ų | 144 | 94% | 0.935 | 78% | 0.776 | S | S | * | * | | | trans | -54.3 | 121.4 | 156.8 | -58.4 | 179.6 | -2.4 | 0 | 0 | 110.8 | | |
| 854 | T | 38.1 | Very low | 39.3 | Very low | 140 Ų | 140 | 148.5 Ų | 148.5 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | | | trans | -126.4 | 127.1 | 159.6 | 22.8 | 0 | 0 | 0 | 0 | 112.2 | D852 | D852-T854 PolarHBondContact O-N 3.31Š|
| 855 | K | 32.3 | Very low | 38.5 | Very low | 193 Ų | 193 | 150.1 Ų | 150.1 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | | | trans | -67.2 | 141.7 | -170.5 | -52.4 | 173.3 | -179.2 | -179.9 | 0 | 112.9 | | |
| 856 | R | 33.8 | Very low | 38 | Very low | 233 Ų | 233 | 150.8 Ų | 150.8 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | | | trans | -175.7 | 108.6 | 133.1 | -97.4 | 147.8 | 179.5 | 159.5 | -0 | 107.2 | | |
| 857 | L | 34.5 | Very low | 37.6 | Very low | 137 Ų | 137 | 155.5 Ų | 155.5 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | | | | 62.9 | 115.8 | 82 | -82.5 | 158.2 | 0 | 0 | 0 | 112.5 | | |
| 858 | D | 36.2 | Very low | 36.9 | Very low | 139 Ų | 139 | 157.6 Ų | 157.6 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | | | trans | 53.3 | 116.4 | 151.2 | -46.9 | -28.7 | 0 | 0 | 0 | 118.5 | | |
| 859 | D | 39.5 | Very low | 36.4 | Very low | 125 Ų | 125 | 156.6 Ų | 156.6 | 67% | 0.668 | 78% | 0.78 | S | S | * | * | | | | -168.9 | 155.8 | 87.7 | -134.6 | -30.2 | 0 | 0 | 0 | 114.9 | | |
| 860 | K | 37.5 | Very low | 35.8 | Very low | 159 Ų | 159 | 161.3 Ų | 161.3 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | | | trans | 66.5 | 101.2 | 167.8 | -46.6 | -48.7 | 168.9 | -139.4 | 0 | 119.7 | | |
| 861 | P | 40.3 | Very low | 35.2 | Very low | 127 Ų | 127 | 162.4 Ų | 162.4 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 145.1 | 167 | 32.1 | -34.1 | 0 | 0 | 0 | 112.3 | | |
| 862 | S | 35.6 | Very low | 34.6 | Very low | 109 Ų | 109 | 158.3 Ų | 158.3 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 152.5 | 179 | -48.9 | 0 | 0 | 0 | 0 | 113.2 | K864 | S862-K864 PolarHBondContact O-N 3.25Š|
| 863 | P | 37.4 | Very low | 34.3 | Very low | 131 Ų | 131 | 159.7 Ų | 159.7 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 123.3 | -171.2 | -19.9 | 33 | 0 | 0 | 0 | 113.2 | L865 | P863-L865 PolarHBondContact O-N 3.28Š|
| 864 | K | 35.1 | Very low | 34.5 | Very low | 207 Ų | 207 | 156.6 Ų | 156.6 | 90% | 0.9 | 79% | 0.787 | S | S | * | * | | | trans | -72.7 | 109.4 | 165.9 | -70 | 176.5 | 178.3 | 174.8 | 0 | 108.8 | S862 D866 | S862-K864 PolarHBondContact O-N 3.25Å; K864-D866 PolarHBondContact O-N 3.24Å |
| 865 | L | 36.2 | Very low | 34.1 | Very low | 149 Ų | 149 | 156 Ų | 156 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | | | trans | -85.3 | 104.2 | 170.7 | -156.7 | 158.1 | 0 | 0 | 0 | 109.4 | P863 R867 | P863-L865 PolarHBondContact O-N 3.28Å; L865-R867 HydrophobicContact CD2-CG 4.42Å; L865-R867 PolarHBondContact O-N 3.47Å |
| 866 | D | 32.9 | Very low | 34.1 | Very low | 125 Ų | 125 | 149.7 Ų | 149.7 | 67% | 0.668 | 78% | 0.778 | S | S | * | * | | | trans | -65.4 | 118 | 176.6 | 175.7 | 10.6 | 0 | 0 | 0 | 111.6 | K864 R868 | K864-D866 PolarHBondContact O-N 3.24Å; D866-R868 PolarHBondContact OD1-N 3.43Å |
| 867 | R | 34.8 | Very low | 34.3 | Very low | 229 Ų | 229 | 146.6 Ų | 146.6 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | | | trans | -130.5 | 78.6 | 154.7 | -87.2 | -168.5 | 172.1 | 140.6 | 0.3 | 111.5 | L865 | L865-R867 HydrophobicContact CD2-CG 4.42Å; L865-R867 PolarHBondContact O-N 3.47Å |
| 868 | R | 32.3 | Very low | 34.1 | Very low | 219 Ų | 219 | 148.8 Ų | 148.8 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | | | trans | 38.3 | 95 | 130.9 | -79.3 | -177.8 | 162.4 | 174.5 | -4.5 | 116.8 | D866 R870 | D866-R868 PolarHBondContact OD1-N 3.43Å; R868-R870 PolarHBondContact O-N 3.3Å |
| 869 | S | 31.8 | Very low | 34.1 | Very low | 89 Ų | 89 | 148.2 Ų | 148.2 | 62% | 0.622 | 78% | 0.783 | S | S | * | * | | | trans | -40.7 | 126.6 | 146 | 175.4 | 0 | 0 | 0 | 0 | 114.2 | H871 | S869-H871 PolarHBondContact OG-ND1 2.95Š|
| 870 | R | 34 | Very low | 33.8 | Very low | 240 Ų | 240 | 151.1 Ų | 151.1 | 91% | 0.906 | 79% | 0.785 | S | S | * | * | | | trans | -144.3 | 109.2 | 144.5 | -72.4 | -170.6 | 179.9 | -146.1 | 0.7 | 103.9 | R868 | R868-R870 PolarHBondContact O-N 3.3Š|
| 871 | H | 29 | Very low | 33.5 | Very low | 176 Ų | 176 | 154.8 Ų | 154.8 | 82% | 0.815 | 80% | 0.797 | S | S | * | * | | | cis | 58.4 | 118.3 | 44.6 | -79.2 | 79.3 | 0 | 0 | 0 | 114 | S869 | S869-H871 PolarHBondContact OG-ND1 2.95Š|
| 872 | G | 29.9 | Very low | 33.2 | Very low | 63 Ų | 63 | 153.5 Ų | 153.5 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | | | trans | 127.4 | 63.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 873 | I | 28.9 | Very low | 33 | Very low | 163 Ų | 163 | 155.4 Ų | 155.4 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | | | | 61.1 | 105.7 | 92.4 | -53.9 | 163.6 | 0 | 0 | 0 | 112.5 | | |
| 874 | V | 33.6 | Very low | 32.7 | Very low | 135 Ų | 135 | 155.6 Ų | 155.6 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | | -159.2 | 123.9 | 119.2 | 163.1 | 0 | 0 | 0 | 0 | 106.3 | | |
| 875 | S | 30.6 | Very low | 32.5 | Very low | 128 Ų | 128 | 151.6 Ų | 151.6 | 90% | 0.895 | 78% | 0.781 | S | S | * | * | | | trans | -85.9 | 130.7 | 164.9 | -55.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 876 | G | 32.6 | Very low | 32.2 | Very low | 60 Ų | 60 | 148 Ų | 148 | 62% | 0.619 | 78% | 0.781 | S | S | * | * | | | trans | -161.9 | 131.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 877 | D | 36.7 | Very low | 32.2 | Very low | 168 Ų | 168 | 148 Ų | 148 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | | | trans | 66.4 | 59.6 | 165.6 | -47.3 | -19 | 0 | 0 | 0 | 116.3 | N879 | D877-N879 PolarHBondContact O-N 3.48Š|
| 878 | E | 31.8 | Very low | 32 | Very low | 184 Ų | 184 | 140 Ų | 140 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | | | trans | -57.7 | 120.8 | 138.3 | -63.8 | -176 | -179.6 | 0 | 0 | 108.3 | | |
| 879 | N | 35.5 | Very low | 32.2 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 68% | 0.679 | 78% | 0.777 | S | S | * | * | | | trans | -177.5 | 143.1 | 142.3 | -103 | -44.7 | 0 | 0 | 0 | 115.4 | D877 | D877-N879 PolarHBondContact O-N 3.48Š|
| 880 | Y | 33.7 | Very low | 32.4 | Very low | 185 Ų | 185 | 137.9 Ų | 137.9 | 73% | 0.725 | 79% | 0.792 | S | S | * | * | | | trans | 57.9 | 71.9 | 158.3 | -54.1 | -53.4 | 0 | 0 | 0 | 120 | V882 | Y880-V882 HydrophobicContact CD1-CG2 4.06Å; Y880-V882 HydrophobicContact CG-CG2 4.39Å; Y880-V882 PolarHBondContact O-N 3.13Å |
| 881 | Y | 30.6 | Very low | 32.2 | Very low | 237 Ų | 237 | 129.3 Ų | 129.3 | 93% | 0.929 | 78% | 0.778 | S | S | * | * | | | trans | -85.6 | 90.3 | 132.5 | -135.8 | -95.4 | 0 | 0 | 0 | 108.3 | N883 | Y881-N883 PolarHBondContact O-N 3.26Š|
| 882 | V | 34.4 | Very low | 32.3 | Very low | 100 Ų | 100 | 127.3 Ų | 127.3 | 61% | 0.606 | 78% | 0.778 | S | S | * | * | | | trans | -64.9 | 128.5 | 176.8 | 170.5 | 0 | 0 | 0 | 0 | 109 | Y880 V884 | Y880-V882 HydrophobicContact CD1-CG2 4.06Å; Y880-V882 HydrophobicContact CG-CG2 4.39Å; Y880-V882 PolarHBondContact O-N 3.13Å; V882-V884 PolarHBondContact O-N 3.08Å |
| 883 | N | 32.2 | Very low | 32.4 | Very low | 149 Ų | 149 | 135.7 Ų | 135.7 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | | | trans | -59 | 109.6 | 174.8 | -66 | -57.1 | 0 | 0 | 0 | 110.3 | Y881 P885 | Y881-N883 PolarHBondContact O-N 3.26Å; N883-P885 WeakPolarHBondContact O-CD 3.3Å |
| 884 | V | 31.1 | Very low | 32.8 | Very low | 134 Ų | 134 | 133 Ų | 133 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | | | trans | -86.5 | 108.3 | 157.7 | 177.9 | 0 | 0 | 0 | 0 | 107.1 | V882 | V882-V884 PolarHBondContact O-N 3.08Š|
| 885 | P | 30.9 | Very low | 33.1 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | | | trans | -79.6 | 127.1 | 177.4 | -3.6 | 23.1 | 0 | 0 | 0 | 108.9 | N883 | N883-P885 WeakPolarHBondContact O-CD 3.3Š|
| 886 | G | 28.7 | Very low | 33.1 | Very low | 75 Ų | 75 | 136.4 Ų | 136.4 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | | | trans | 177.9 | -33.5 | 174 | 0 | 0 | 0 | 0 | 0 | 118.1 | G888 | G886-G888 VanDerWaalsContact C-N 3.31Å; G886-G888 PolarHBondContact O-N 3.39Å |
| 887 | S | 32.1 | Very low | 33.4 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | | | trans | -85.9 | 64.9 | -176.3 | 49 | 0 | 0 | 0 | 0 | 113.3 | | |
| 888 | G | 32.6 | Very low | 33.2 | Very low | 63 Ų | 63 | 133.9 Ų | 133.9 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | | | trans | -59.2 | 137.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | G886 | G886-G888 VanDerWaalsContact C-N 3.31Å; G886-G888 PolarHBondContact O-N 3.39Å |
| 889 | P | 36.4 | Very low | 33.5 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | | | trans | -68.8 | 155.4 | -175.2 | 28.2 | -35.3 | 0 | 0 | 0 | 112.2 | G891 | P889-G891 VanDerWaalsContact C-N 3.29Å; P889-G891 PolarHBondContact O-N 3.01Å |
| 890 | P | 34.1 | Very low | 33.7 | Very low | 146 Ų | 146 | 135.9 Ų | 135.9 | 95% | 0.948 | 76% | 0.761 | S | S | * | * | | | trans | -71.2 | 80.9 | -178.7 | 30.2 | -35.9 | 0 | 0 | 0 | 111.7 | | |
| 891 | G | 30.1 | Very low | 33.7 | Very low | 59 Ų | 59 | 137.8 Ų | 137.8 | 61% | 0.608 | 77% | 0.767 | S | S | * | * | | | trans | -110.8 | 147.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P889 | P889-G891 VanDerWaalsContact C-N 3.29Å; P889-G891 PolarHBondContact O-N 3.01Å |
| 892 | V | 32.7 | Very low | 34.1 | Very low | 134 Ų | 134 | 129 Ų | 129 | 81% | 0.812 | 74% | 0.741 | S | S | * | * | | | trans | 66.8 | 82.8 | 175.7 | -162.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 893 | R | 31.9 | Very low | 34.3 | Very low | 239 Ų | 239 | 131.3 Ų | 131.3 | 90% | 0.902 | 75% | 0.749 | S | S | * | * | | | trans | -54.4 | 133.5 | 147.6 | -79.7 | -179.9 | 172.6 | 156.7 | -1.4 | 107.7 | | |
| 894 | P | 35.6 | Very low | 34.6 | Very low | 107 Ų | 107 | 130.8 Ų | 130.8 | 70% | 0.695 | 74% | 0.742 | S | S | * | * | | | trans | -57.7 | 143.6 | -179.6 | 23.2 | -33.2 | 0 | 0 | 0 | 110.2 | Y896 | P894-Y896 PolarHBondContact O-N 2.99Š|
| 895 | P | 40.1 | Very low | 34.8 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 69% | 0.688 | 73% | 0.733 | S | S | * | * | | | trans | -58.8 | 115.5 | 177.4 | 24.8 | -32.9 | 0 | 0 | 0 | 108.2 | N897 | P895-N897 PolarHBondContact O-N 3.36Š|
| 896 | Y | 30.9 | Very low | 35.2 | Very low | 228 Ų | 228 | 131.1 Ų | 131.1 | 89% | 0.894 | 73% | 0.731 | S | S | * | * | | | trans | -69.4 | 91.1 | 176.1 | -159.5 | -98.2 | 0 | 0 | 0 | 107.1 | P894 G898 | P894-Y896 PolarHBondContact O-N 2.99Å; Y896-G898 PolarHBondContact O-N 3.49Å |
| 897 | N | 39.2 | Very low | 35.7 | Very low | 133 Ų | 133 | 131.7 Ų | 131.7 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | | | trans | -67.9 | 58.2 | 168.5 | -92.3 | 2.1 | 0 | 0 | 0 | 109.4 | P895 H899 | P895-N897 PolarHBondContact O-N 3.36Å; N897-H899 PolarHBondContact O-N 2.74Å; N897-H899 PolarHBondContact O-ND1 3.19Å |
| 898 | G | 32.7 | Very low | 36 | Very low | 43 Ų | 43 | 134.3 Ų | 134.3 | 44% | 0.443 | 72% | 0.722 | S | S | . | * | | | trans | -63.5 | 77.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | Y896 K900 | Y896-G898 PolarHBondContact O-N 3.49Å; G898-K900 PolarHBondContact O-N 3.44Å |
| 899 | H | 38.7 | Very low | 36 | Very low | 152 Ų | 152 | 142.9 Ų | 142.9 | 70% | 0.704 | 74% | 0.735 | S | S | * | * | | | trans | -47.9 | 112.2 | 157.8 | -81.7 | 60.7 | 0 | 0 | 0 | 105.2 | N897 R901 | N897-H899 PolarHBondContact O-N 2.74Å; N897-H899 PolarHBondContact O-ND1 3.19Å; H899-R901 PolarHBondContact O-N 3.05Å |
| 900 | K | 38.5 | Very low | 35.9 | Very low | 201 Ų | 201 | 142 Ų | 142 | 87% | 0.874 | 73% | 0.731 | S | S | * | * | | | trans | -64 | 90.3 | 171.9 | -64.2 | 177.2 | -177 | 175.5 | 0 | 105.2 | G898 S902 | G898-K900 PolarHBondContact O-N 3.44Å; K900-S902 VanDerWaalsContact C-N 3.26Å; K900-S902 PolarHBondContact O-N 3.04Å |
| 901 | R | 34.5 | Very low | 35.7 | Very low | 224 Ų | 224 | 137 Ų | 137 | 85% | 0.845 | 71% | 0.707 | S | S | * | * | | | trans | -54.7 | 105.1 | 161.5 | -63.4 | -173.3 | -164.7 | 171.2 | 4.1 | 104 | H899 L903 | H899-R901 PolarHBondContact O-N 3.05Å; R901-L903 PolarHBondContact O-N 2.9Å |
| 902 | S | 38.8 | Very low | 36.1 | Very low | 54 Ų | 54 | 139.8 Ų | 139.8 | 38% | 0.378 | 71% | 0.714 | S | S | . | * | | | trans | -62.3 | 142.2 | -171.6 | 70.5 | 0 | 0 | 0 | 0 | 107.3 | K900 Q904 D905 | K900-S902 VanDerWaalsContact C-N 3.26Å; K900-S902 PolarHBondContact O-N 3.04Å; S902-Q904 PolarHBondContact O-N 2.87Å; S902-D905 PolarHBondContact O-N 2.82Å |
| 903 | L | 38.9 | Very low | 36.3 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 78% | 0.775 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -65.3 | -10.5 | -176.3 | -156.4 | 139.6 | 0 | 0 | 0 | 111.6 | R901 D905 L906 | R901-L903 PolarHBondContact O-N 2.9Å; L903-D905 VanDerWaalsContact C-N 3.29Å; L903-D905 PolarHBondContact O-N 3.43Å; L903-L906 PolarHBondContact O-N 3.12Å |
| 904 | Q | 37.6 | Very low | 36.7 | Very low | 138 Ų | 138 | 135.6 Ų | 135.6 | 65% | 0.645 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -52.7 | -36.8 | 164.6 | -92.7 | 92.2 | -0 | 0 | 0 | 113.9 | S902 L906 S907 | S902-Q904 PolarHBondContact O-N 2.87Å; Q904-L906 PolarHBondContact O-N 3.18Å; Q904-S907 WeakPolarHBondContact O-CB 3.47Å; Q904-S907 PolarHBondContact O-N 2.99Å |
| 905 | D | 36.2 | Very low | 37 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -70 | -8.2 | -175.9 | -67.5 | -16.9 | 0 | 0 | 0 | 113.7 | S902 L903 | S902-D905 PolarHBondContact O-N 2.82Å; L903-D905 VanDerWaalsContact C-N 3.29Å; L903-D905 PolarHBondContact O-N 3.43Å |
| 906 | L | 38.6 | Very low | 36.8 | Very low | 145 Ų | 145 | 138 Ų | 138 | 76% | 0.759 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -101.2 | -0.5 | 169.5 | -63.7 | -178.8 | 0 | 0 | 0 | 113.1 | L903 Q904 | L903-L906 PolarHBondContact O-N 3.12Å; Q904-L906 PolarHBondContact O-N 3.18Å |
| 907 | S | 39.1 | Very low | 37.7 | Very low | 86 Ų | 86 | 130.7 Ų | 130.7 | 60% | 0.601 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -80.3 | -17.4 | 179.5 | -163.9 | 0 | 0 | 0 | 0 | 113.7 | Q904 | Q904-S907 WeakPolarHBondContact O-CB 3.47Å; Q904-S907 PolarHBondContact O-N 2.99Å |
| 908 | E | 38.4 | Very low | 38.5 | Very low | 179 Ų | 179 | 129 Ų | 129 | 84% | 0.836 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -101.7 | 3 | -170.2 | -61.8 | -167 | 173.4 | 0 | 0 | 114.9 | | |
| 909 | R | 33.1 | Very low | 39.5 | Very low | 242 Ų | 242 | 137.4 Ų | 137.4 | 91% | 0.913 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -113.9 | -3.2 | 178.1 | -80.9 | -171.6 | 171.7 | -140 | -2.2 | 116.2 | G911 | R909-G911 PolarHBondContact O-N 3.35Å; R909-G911 VanDerWaalsContact O-N 3.13Å |
| 910 | S | 34.3 | Very low | 40 | Very low | 98 Ų | 98 | 136.4 Ų | 136.4 | 69% | 0.685 | 70% | 0.701 | S | S | * | * | | | trans | -81.8 | 75.3 | 155.8 | 58.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 911 | G | 29.6 | Very low | 39.9 | Very low | 43 Ų | 43 | 129.5 Ų | 129.5 | 44% | 0.443 | 69% | 0.686 | S | S | . | * | | | trans | -54.1 | 152.6 | 159.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | R909 H913 | R909-G911 PolarHBondContact O-N 3.35Å; R909-G911 VanDerWaalsContact O-N 3.13Å; G911-H913 VanDerWaalsContact C-N 3.31Å; G911-H913 PolarHBondContact O-N 3.04Å |
| 912 | P | 39.1 | Very low | 40.3 | Very low | 117 Ų | 117 | 125.1 Ų | 125.1 | 76% | 0.76 | 68% | 0.68 | S | S | * | * | | | trans | -71.9 | 82.2 | -163.3 | 29.1 | -36.5 | 0 | 0 | 0 | 112.7 | S914 | P912-S914 PolarHBondContact O-N 2.89Š|
| 913 | H | 36.7 | Very low | 40.5 | Very low | 192 Ų | 192 | 128.6 Ų | 128.6 | 89% | 0.889 | 70% | 0.699 | S | S | * | * | | | trans | -76.5 | 53.9 | 147.3 | -61.9 | -35.6 | 0 | 0 | 0 | 109.2 | G911 A915 | G911-H913 VanDerWaalsContact C-N 3.31Å; G911-H913 PolarHBondContact O-N 3.04Å; H913-A915 PolarHBondContact O-N 3.34Å |
| 914 | S | 40.9 | Very low | 40.6 | Very low | 93 Ų | 93 | 128.4 Ų | 128.4 | 65% | 0.65 | 70% | 0.697 | S | S | * | * | | | trans | -50.3 | 126.5 | 156.8 | -54.4 | 0 | 0 | 0 | 0 | 106.6 | P912 Y916 | P912-S914 PolarHBondContact O-N 2.89Å; S914-Y916 PolarHBondContact O-N 3.33Å |
| 915 | A | 41.8 | Very low | 40.6 | Very low | 102 Ų | 102 | 129.4 Ų | 129.4 | 84% | 0.843 | 71% | 0.707 | S | S | * | * | | | trans | -62.6 | 102.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | H913 D917 | H913-A915 PolarHBondContact O-N 3.34Å; A915-D917 PolarHBondContact O-N 3.08Å |
| 916 | Y | 36.3 | Very low | 40.5 | Very low | 160 Ų | 160 | 131.5 Ų | 131.5 | 63% | 0.627 | 71% | 0.713 | S | S | * | * | | | trans | -58.3 | 107.9 | 172.8 | 177.3 | -94.8 | 0 | 0 | 0 | 108.1 | S914 P918 | S914-Y916 PolarHBondContact O-N 3.33Å; Y916-P918 HydrophobicContact CD1-CG 4.18Å; Y916-P918 HydrophobicContact CE1-CB 4.15Å; Y916-P918 HydrophobicContact CE1-CG 4.27Å; Y916-P918 VanDerWaalsContact O-CD 3.26Å; Y916-P918 WeakPolarHBondContact O-CD 3.49Å |
| 917 | D | 48.5 | Very low | 40.4 | Very low | 75 Ų | 75 | 129.6 Ų | 129.6 | 40% | 0.401 | 71% | 0.709 | S | S | . | * | | | trans | -80.5 | 110.3 | 171.5 | -176.1 | -11.2 | 0 | 0 | 0 | 107.8 | A915 R919 L920 | A915-D917 PolarHBondContact O-N 3.08Å; D917-R919 PolarHBondContact O-N 2.94Å; D917-R919 WeakPolarHBondContact OD1-CB 3.16Å; D917-R919 WeakPolarHBondContact OD1-CG 3.39Å; D917-R919 PolarHBondContact OD1-N 3.45Å; D917-L920 PolarHBondContact O-N 2.98Å |
| 918 | P | 55.8 | Low | 40.2 | Very low | 99 Ų | 99 | 131.1 Ų | 131.1 | 64% | 0.643 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -3.2 | -176.1 | -18.7 | 33.3 | 0 | 0 | 0 | 114.2 | Y916 | Y916-P918 HydrophobicContact CD1-CG 4.18Å; Y916-P918 HydrophobicContact CE1-CB 4.15Å; Y916-P918 HydrophobicContact CE1-CG 4.27Å; Y916-P918 VanDerWaalsContact O-CD 3.26Å; Y916-P918 WeakPolarHBondContact O-CD 3.49Å |
| 919 | R | 55.1 | Low | 40 | Very low | 219 Ų | 219 | 131.8 Ų | 131.8 | 83% | 0.826 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -23.9 | 173.8 | -61.2 | 171.4 | 179.9 | 167.4 | 1 | 112.8 | D917 G921 | D917-R919 PolarHBondContact O-N 2.94Å; D917-R919 WeakPolarHBondContact OD1-CB 3.16Å; D917-R919 WeakPolarHBondContact OD1-CG 3.39Å; D917-R919 PolarHBondContact OD1-N 3.45Å; R919-G921 PolarHBondContact O-N 3.15Å; R919-G921 VanDerWaalsContact O-N 3.13Å |
| 920 | L | 49.3 | Very low | 40.2 | Very low | 131 Ų | 131 | 125.9 Ų | 125.9 | 69% | 0.686 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -86.6 | 68.6 | 169 | -59.1 | -176.9 | 0 | 0 | 0 | 107.5 | D917 D922 | D917-L920 PolarHBondContact O-N 2.98Å; L920-D922 PolarHBondContact O-N 3.33Å; L920-D922 VanDerWaalsContact O-N 3.15Å |
| 921 | G | 35.7 | Very low | 40.1 | Very low | 55 Ų | 55 | 132.1 Ų | 132.1 | 57% | 0.567 | 72% | 0.721 | S | S | * | * | | | trans | -62.9 | 114.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | R919 T923 | R919-G921 PolarHBondContact O-N 3.15Å; R919-G921 VanDerWaalsContact O-N 3.13Å; G921-T923 PolarHBondContact O-N 2.79Å |
| 922 | D | 43.6 | Very low | 40.4 | Very low | 132 Ų | 132 | 135.7 Ų | 135.7 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | | | trans | -53.8 | 135.5 | 176.8 | -78.3 | -47.1 | 0 | 0 | 0 | 110.4 | L920 I924 | L920-D922 PolarHBondContact O-N 3.33Å; L920-D922 VanDerWaalsContact O-N 3.15Å; D922-I924 PolarHBondContact O-N 3.49Å |
| 923 | T | 42.1 | Very low | 40.3 | Very low | 127 Ų | 127 | 135.7 Ų | 135.7 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | | | trans | -59.8 | 133.1 | -172.1 | -39.1 | 0 | 0 | 0 | 0 | 110 | G921 N925 | G921-T923 PolarHBondContact O-N 2.79Å; T923-N925 PolarHBondContact O-N 3.36Å |
| 924 | I | 40.3 | Very low | 40.1 | Very low | 145 Ų | 145 | 133.1 Ų | 133.1 | 74% | 0.744 | 73% | 0.731 | S | S | * | * | | | trans | -60.2 | 96.5 | -175.4 | -59.7 | 166.7 | 0 | 0 | 0 | 109.4 | D922 Q926 | D922-I924 PolarHBondContact O-N 3.49Å; I924-Q926 PolarHBondContact O-N 3.04Å; I924-Q926 VanDerWaalsContact O-N 3.07Å |
| 925 | N | 37.7 | Very low | 39.7 | Very low | 158 Ų | 158 | 139.4 Ų | 139.4 | 85% | 0.845 | 74% | 0.74 | S | S | * | * | | | trans | -69.4 | 106.3 | 166.9 | -84.8 | -38.1 | 0 | 0 | 0 | 107.4 | T923 | T923-N925 PolarHBondContact O-N 3.36Š|
| 926 | Q | 33.9 | Very low | 39.2 | Very low | 164 Ų | 164 | 142 Ų | 142 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | | | trans | -44.6 | 130.6 | -177.8 | -70.3 | -78.6 | 3.8 | 0 | 0 | 111.3 | I924 S928 | I924-Q926 PolarHBondContact O-N 3.04Å; I924-Q926 VanDerWaalsContact O-N 3.07Å; Q926-S928 PolarHBondContact O-N 2.93Å; Q926-S928 VanDerWaalsContact O-N 3.16Å |
| 927 | P | 37.3 | Very low | 39 | Very low | 104 Ų | 104 | 139.1 Ų | 139.1 | 68% | 0.675 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 119.9 | 176.5 | 26.6 | -33 | 0 | 0 | 0 | 109.3 | K929 | P927-K929 PolarHBondContact O-N 3.06Å; P927-K929 VanDerWaalsContact O-N 3.15Å |
| 928 | S | 35.6 | Very low | 38.3 | Very low | 118 Ų | 118 | 142.5 Ų | 142.5 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 118.5 | 171.9 | 45.8 | 0 | 0 | 0 | 0 | 108.9 | Q926 | Q926-S928 PolarHBondContact O-N 2.93Å; Q926-S928 VanDerWaalsContact O-N 3.16Å |
| 929 | K | 33.4 | Very low | 37.4 | Very low | 194 Ų | 194 | 145.7 Ų | 145.7 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 135.7 | -175.6 | -67.8 | 174.8 | 177.9 | 177.2 | 0 | 110.3 | P927 R931 | P927-K929 PolarHBondContact O-N 3.06Å; P927-K929 VanDerWaalsContact O-N 3.15Å; K929-R931 PolarHBondContact O-N 3.44Å |
| 930 | P | 38.2 | Very low | 36.4 | Very low | 118 Ų | 118 | 142.8 Ų | 142.8 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 129.6 | 174.2 | 26.2 | -33.2 | 0 | 0 | 0 | 109.4 | T932 | P930-T932 PolarHBondContact O-N 3.13Å; P930-T932 VanDerWaalsContact O-N 3.15Å |
| 931 | R | 32.4 | Very low | 36 | Very low | 228 Ų | 228 | 141.4 Ų | 141.4 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | | | trans | -75 | 101.9 | -175.9 | -171.5 | 174.2 | 177 | 169.5 | -1.3 | 109.3 | K929 S933 | K929-R931 PolarHBondContact O-N 3.44Å; R931-S933 PolarHBondContact O-N 2.74Å |
| 932 | T | 36 | Very low | 35.9 | Very low | 119 Ų | 119 | 145.9 Ų | 145.9 | 73% | 0.73 | 78% | 0.775 | S | S | * | * | | | trans | -74.9 | 120.5 | -178.9 | 46.6 | 0 | 0 | 0 | 0 | 111.8 | P930 | P930-T932 PolarHBondContact O-N 3.13Å; P930-T932 VanDerWaalsContact O-N 3.15Å |
| 933 | S | 35.6 | Very low | 35.6 | Very low | 117 Ų | 117 | 149 Ų | 149 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | 33.2 | 93.3 | 145.3 | -48.2 | 0 | 0 | 0 | 0 | 118.8 | R931 R935 | R931-S933 PolarHBondContact O-N 2.74Å; S933-R935 PolarHBondContact O-N 3.01Å |
| 934 | D | 32.1 | Very low | 35.5 | Very low | 138 Ų | 138 | 153.9 Ų | 153.9 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | | | trans | -74.1 | 106.3 | 158.3 | -61.1 | -55.3 | 0 | 0 | 0 | 109.9 | | |
| 935 | R | 32.6 | Very low | 35.4 | Very low | 225 Ų | 225 | 152 Ų | 152 | 85% | 0.849 | 78% | 0.775 | S | S | * | * | | | trans | 171.2 | 122.7 | 144.8 | -99.1 | 163.1 | 177.6 | 170.8 | -0.2 | 114.6 | S933 | S933-R935 PolarHBondContact O-N 3.01Š|
| 936 | I | 31.8 | Very low | 35.4 | Very low | 156 Ų | 156 | 152.5 Ų | 152.5 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | | | trans | 63.9 | 110.3 | 146.7 | -49.4 | 158.3 | 0 | 0 | 0 | 114.5 | | |
| 937 | S | 33.3 | Very low | 35.8 | Very low | 99 Ų | 99 | 155.2 Ų | 155.2 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | | | | -164.2 | 147.1 | 55.8 | -170.5 | 0 | 0 | 0 | 0 | 112 | | |
| 938 | D | 32.6 | Very low | 36.1 | Very low | 146 Ų | 146 | 155.1 Ų | 155.1 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | | | trans | -77.5 | 137.4 | 177.4 | -46.9 | -82.3 | 0 | 0 | 0 | 113.1 | | |
| 939 | Q | 37.3 | Very low | 36.2 | Very low | 166 Ų | 166 | 154.6 Ų | 154.6 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | | | trans | -178.2 | 101.5 | 152.6 | -101.9 | 147.4 | 94 | 0 | 0 | 108 | | |
| 940 | I | 33.7 | Very low | 36.9 | Very low | 158 Ų | 158 | 152 Ų | 152 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | | | | 83.4 | 129.2 | 87.6 | -76.8 | 170.5 | 0 | 0 | 0 | 111.7 | | |
| 941 | P | 40.2 | Very low | 37.4 | Very low | 103 Ų | 103 | 154.3 Ų | 154.3 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | | | | -130.6 | 178.4 | -72.3 | 26.9 | -3.3 | 0 | 0 | 0 | 113.5 | Y943 | P941-Y943 PolarHBondContact O-N 2.99Š|
| 942 | D | 34.5 | Very low | 38.2 | Very low | 148 Ų | 148 | 147.2 Ų | 147.2 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | | | trans | -14.7 | 114.4 | 165.1 | -51.3 | -52.4 | 0 | 0 | 0 | 117.7 | | |
| 943 | Y | 38.1 | Very low | 38.9 | Very low | 198 Ų | 198 | 148.6 Ų | 148.6 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | | | trans | -137.3 | 57.3 | 162.7 | -134.4 | -84.5 | 0 | 0 | 0 | 110.6 | P941 D945 | P941-Y943 PolarHBondContact O-N 2.99Å; Y943-D945 VanDerWaalsContact C-N 3.27Å; Y943-D945 VanDerWaalsContact CE1-OD2 3.25Å; Y943-D945 WeakPolarHBondContact CE1-OD2 3.26Å; Y943-D945 PolarHBondContact O-N 3.1Å |
| 944 | Y | 38.2 | Very low | 39.6 | Very low | 230 Ų | 230 | 153.1 Ų | 153.1 | 90% | 0.902 | 76% | 0.756 | S | S | * | * | | | trans | -86 | 74.9 | 167.2 | -86.7 | -79.3 | 0 | 0 | 0 | 109.6 | | |
| 945 | D | 39.4 | Very low | 40.5 | Very low | 104 Ų | 104 | 153.2 Ų | 153.2 | 56% | 0.556 | 76% | 0.756 | S | S | * | * | | | trans | -65.1 | 140.3 | 168.3 | -107.1 | -19.4 | 0 | 0 | 0 | 110.6 | Y943 Y947 | Y943-D945 VanDerWaalsContact C-N 3.27Å; Y943-D945 VanDerWaalsContact CE1-OD2 3.25Å; Y943-D945 WeakPolarHBondContact CE1-OD2 3.26Å; Y943-D945 PolarHBondContact O-N 3.1Å; D945-Y947 PolarHBondContact O-N 2.91Å |
| 946 | Q | 37 | Very low | 41.7 | Very low | 169 Ų | 169 | 149.9 Ų | 149.9 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | | | trans | -54.7 | 103 | -179.1 | -67 | 152.8 | -17.6 | 0 | 0 | 112 | | |
| 947 | Y | 41.8 | Very low | 42.4 | Very low | 221 Ų | 221 | 146.9 Ų | 146.9 | 87% | 0.867 | 75% | 0.748 | S | S | * | * | | | trans | -90.8 | 96 | 147.5 | -75.7 | -82.7 | 0 | 0 | 0 | 107.5 | D945 | D945-Y947 PolarHBondContact O-N 2.91Š|
| 948 | T | 44 | Very low | 42.4 | Very low | 103 Ų | 103 | 146.1 Ų | 146.1 | 63% | 0.632 | 76% | 0.756 | S | S | * | * | | | trans | -52.9 | 155.6 | 173.6 | 42.5 | 0 | 0 | 0 | 0 | 111.7 | D950 | T948-D950 PolarHBondContact O-N 3.2Š|
| 949 | S | 38.8 | Very low | 42.6 | Very low | 107 Ų | 107 | 147.9 Ų | 147.9 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | | | trans | -53.9 | 104.9 | 172.5 | -49.2 | 0 | 0 | 0 | 0 | 111.2 | E951 | S949-E951 PolarHBondContact O-N 3.09Š|
| 950 | D | 47.6 | Very low | 42.9 | Very low | 139 Ų | 139 | 144.5 Ų | 144.5 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | | | trans | -74 | 79.7 | 164.8 | -73.8 | -23.4 | 0 | 0 | 0 | 108 | T948 S952 | T948-D950 PolarHBondContact O-N 3.2Å; D950-S952 PolarHBondContact O-N 3.38Å |
| 951 | E | 47.9 | Very low | 43.3 | Very low | 166 Ų | 166 | 145.2 Ų | 145.2 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | | | trans | -71.6 | 72 | 172.5 | -152.9 | 81.6 | 143.7 | 0 | 0 | 108.2 | S949 D953 | S949-E951 PolarHBondContact O-N 3.09Å; E951-D953 PolarHBondContact O-N 3.42Å |
| 952 | S | 50.5 | Low | 43.8 | Very low | 80 Ų | 80 | 148 Ų | 148 | 56% | 0.559 | 76% | 0.764 | S | S | * | * | | | trans | -84.3 | 103.7 | 177.6 | 68.1 | 0 | 0 | 0 | 0 | 109.6 | D950 Y954 | D950-S952 PolarHBondContact O-N 3.38Å; S952-Y954 PolarHBondContact O-N 2.94Å |
| 953 | D | 50.6 | Low | 44.3 | Very low | 148 Ų | 148 | 149.4 Ų | 149.4 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | | | trans | -48.4 | 101.8 | 165.8 | -68.3 | -51.7 | 0 | 0 | 0 | 110.7 | E951 D955 | E951-D953 PolarHBondContact O-N 3.42Å; D953-D955 PolarHBondContact O-N 2.88Å |
| 954 | Y | 50.6 | Low | 44.6 | Very low | 211 Ų | 211 | 148.2 Ų | 148.2 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | | | trans | -91.8 | 70.1 | 153.9 | -78.4 | -81.8 | 0 | 0 | 0 | 108 | S952 D956 | S952-Y954 PolarHBondContact O-N 2.94Å; Y954-D956 PolarHBondContact O-N 3.4Å |
| 955 | D | 50 | Low | 44.8 | Very low | 140 Ų | 140 | 146.3 Ų | 146.3 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | | | trans | -61.7 | 84.6 | 159.4 | -162.6 | 14.7 | 0 | 0 | 0 | 106.8 | D953 S957 | D953-D955 PolarHBondContact O-N 2.88Å; D955-S957 PolarHBondContact O-N 2.89Å |
| 956 | D | 57.5 | Low | 45 | Very low | 156 Ų | 156 | 146.6 Ų | 146.6 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | | | trans | -72.2 | 72.9 | 176.7 | -167.7 | 18.2 | 0 | 0 | 0 | 108.5 | Y954 G958 | Y954-D956 PolarHBondContact O-N 3.4Å; D956-G958 PolarHBondContact O-N 2.91Å; D956-G958 VanDerWaalsContact O-N 3.07Å |
| 957 | S | 46.1 | Very low | 45.2 | Very low | 92 Ų | 92 | 144.2 Ų | 144.2 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | | | trans | -55.5 | 108.8 | -178.1 | 55.8 | 0 | 0 | 0 | 0 | 109.4 | D955 E959 | D955-S957 PolarHBondContact O-N 2.89Å; S957-E959 PolarHBondContact O-N 3.07Å |
| 958 | G | 33.5 | Very low | 45.1 | Very low | 83 Ų | 83 | 138 Ų | 138 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | | | trans | -67.6 | 102.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D956 | D956-G958 PolarHBondContact O-N 2.91Å; D956-G958 VanDerWaalsContact O-N 3.07Å |
| 959 | E | 38.5 | Very low | 45 | Very low | 184 Ų | 184 | 141.1 Ų | 141.1 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | | | trans | -149.4 | 95 | 161.5 | -153 | 170.4 | -147.7 | 0 | 0 | 111.9 | S957 | S957-E959 PolarHBondContact O-N 3.07Š|
| 960 | S | 42.7 | Very low | 45.1 | Very low | 94 Ų | 94 | 147 Ų | 147 | 66% | 0.657 | 79% | 0.787 | S | S | * | * | | | trans | 162.6 | 99.5 | 133.3 | 65.8 | 0 | 0 | 0 | 0 | 110.6 | E962 | S960-E962 PolarHBondContact O-N 2.78Š|
| 961 | D | 42.2 | Very low | 44.7 | Very low | 174 Ų | 174 | 146.8 Ų | 146.8 | 93% | 0.93 | 79% | 0.791 | S | S | * | * | | | trans | -71.1 | 48 | 157.7 | -85.3 | -35.3 | 0 | 0 | 0 | 110 | E963 | D961-E963 PolarHBondContact O-N 2.84Š|
| 962 | E | 51.2 | Low | 44.4 | Very low | 160 Ų | 160 | 145.9 Ų | 145.9 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | | | trans | -73.5 | 82.3 | 176.1 | -161.5 | 83.9 | -141.3 | 0 | 0 | 107.4 | S960 L964 | S960-E962 PolarHBondContact O-N 2.78Å; E962-L964 PolarHBondContact O-N 2.94Å |
| 963 | E | 45.1 | Very low | 43.7 | Very low | 179 Ų | 179 | 147.5 Ų | 147.5 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | | | trans | -43.1 | 112.5 | 175.2 | -75.9 | -170.9 | 132.9 | 0 | 0 | 108.6 | D961 K965 | D961-E963 PolarHBondContact O-N 2.84Å; E963-K965 PolarHBondContact O-N 2.83Å |
| 964 | L | 44.3 | Very low | 43.1 | Very low | 172 Ų | 172 | 149.5 Ų | 149.5 | 90% | 0.901 | 80% | 0.801 | S | S | * | * | | | trans | -62.1 | 82.3 | -178.2 | -80.3 | 170 | 0 | 0 | 0 | 110.2 | E962 P966 | E962-L964 PolarHBondContact O-N 2.94Å; L964-P966 WeakPolarHBondContact O-CD 3.21Å |
| 965 | K | 41.8 | Very low | 42.3 | Very low | 191 Ų | 191 | 145.2 Ų | 145.2 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 117.2 | -179.1 | -152.8 | 168 | -167.3 | 163.7 | 0 | 106 | E963 | E963-K965 PolarHBondContact O-N 2.83Š|
| 966 | P | 43.4 | Very low | 41.4 | Very low | 110 Ų | 110 | 149 Ų | 149 | 71% | 0.714 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 135.8 | -176.5 | 22 | -32.6 | 0 | 0 | 0 | 108.4 | L964 A968 | L964-P966 WeakPolarHBondContact O-CD 3.21Å; P966-A968 PolarHBondContact O-N 3.02Å |
| 967 | P | 41.9 | Very low | 40.2 | Very low | 118 Ų | 118 | 153.1 Ų | 153.1 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 127.2 | -162.3 | 18.7 | -32.6 | 0 | 0 | 0 | 110.2 | L969 | P967-L969 PolarHBondContact O-N 3.45Š|
| 968 | A | 39.2 | Very low | 39.7 | Very low | 92 Ų | 92 | 159.3 Ų | 159.3 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 119.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | P966 R970 | P966-A968 PolarHBondContact O-N 3.02Å; A968-R970 PolarHBondContact O-N 3.12Å |
| 969 | L | 40.8 | Very low | 39.9 | Very low | 167 Ų | 167 | 160.1 Ų | 160.1 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | | | trans | -55.8 | 105.3 | 178.1 | -77.5 | 172.5 | 0 | 0 | 0 | 107.1 | P967 T971 | P967-L969 PolarHBondContact O-N 3.45Å; L969-T971 PolarHBondContact O-N 2.88Å |
| 970 | R | 41.8 | Very low | 39.4 | Very low | 230 Ų | 230 | 160.4 Ų | 160.4 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | | | trans | -53 | 110.1 | -179.9 | -63.5 | 177.2 | -175.9 | 170.5 | 0.5 | 105.6 | A968 I972 | A968-R970 PolarHBondContact O-N 3.12Å; R970-I972 VanDerWaalsContact C-N 3.27Å; R970-I972 PolarHBondContact O-N 3.41Å |
| 971 | T | 38.1 | Very low | 39.3 | Very low | 135 Ų | 135 | 161.1 Ų | 161.1 | 83% | 0.828 | 81% | 0.811 | S | S | * | * | | | trans | -63.8 | 98.2 | 179.9 | -46.3 | 0 | 0 | 0 | 0 | 105.6 | L969 T973 | L969-T971 PolarHBondContact O-N 2.88Å; T971-T973 PolarHBondContact O-N 2.98Å |
| 972 | I | 41.9 | Very low | 38.8 | Very low | 148 Ų | 148 | 161.6 Ų | 161.6 | 76% | 0.759 | 81% | 0.807 | S | S | * | * | | | trans | -59.6 | 111 | 178.9 | -64.1 | 176.5 | 0 | 0 | 0 | 104.4 | R970 Q974 | R970-I972 VanDerWaalsContact C-N 3.27Å; R970-I972 PolarHBondContact O-N 3.41Å; I972-Q974 PolarHBondContact O-N 3.28Å |
| 973 | T | 37.2 | Very low | 38.1 | Very low | 114 Ų | 114 | 159.4 Ų | 159.4 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | | | trans | -50.3 | 109.3 | 176 | 36.3 | 0 | 0 | 0 | 0 | 106.8 | T971 T975 | T971-T973 PolarHBondContact O-N 2.98Å; T973-T975 PolarHBondContact O-N 3.47Å |
| 974 | Q | 37.9 | Very low | 37.9 | Very low | 189 Ų | 189 | 156 Ų | 156 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | | | trans | -62.8 | 97 | 169.5 | -69 | -173.8 | 5.5 | 0 | 0 | 105.6 | I972 R976 | I972-Q974 PolarHBondContact O-N 3.28Å; Q974-R976 PolarHBondContact O-N 2.98Å |
| 975 | T | 33.9 | Very low | 37.4 | Very low | 122 Ų | 122 | 155 Ų | 155 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | | | trans | -66.6 | 88.5 | 174 | 47.6 | 0 | 0 | 0 | 0 | 106.6 | T973 R977 | T973-T975 PolarHBondContact O-N 3.47Å; T975-R977 PolarHBondContact O-N 2.97Å |
| 976 | R | 30.7 | Very low | 37 | Very low | 220 Ų | 220 | 152.8 Ų | 152.8 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | | | trans | -46.2 | 103.3 | 173.6 | -171.2 | 178.4 | 91.9 | -152.2 | 11 | 107.3 | Q974 R978 | Q974-R976 PolarHBondContact O-N 2.98Å; R976-R978 PolarHBondContact O-N 3.49Å |
| 977 | R | 32.9 | Very low | 36.4 | Very low | 241 Ų | 241 | 158.4 Ų | 158.4 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | | | trans | -57.3 | 121.5 | 171.1 | -90.2 | -169.9 | 156.6 | 164.4 | -4.3 | 106.1 | T975 S979 | T975-R977 PolarHBondContact O-N 2.97Å; R977-S979 PolarHBondContact O-N 3.45Å |
| 978 | R | 35 | Very low | 36.1 | Very low | 223 Ų | 223 | 157.4 Ų | 157.4 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | | | trans | -63 | 122.5 | -176.4 | -71.1 | -179.6 | 170.8 | -170.6 | -3.4 | 107.8 | R976 | R976-R978 PolarHBondContact O-N 3.49Š|
| 979 | S | 38.2 | Very low | 36 | Very low | 100 Ų | 100 | 159.1 Ų | 159.1 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | | | trans | 42.5 | 85.7 | 152.7 | 56.7 | 0 | 0 | 0 | 0 | 115.6 | R977 | R977-S979 PolarHBondContact O-N 3.45Š|
| 980 | E | 27.3 | Very low | 35.8 | Very low | 189 Ų | 189 | 158.1 Ų | 158.1 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -68 | 126.5 | 134.4 | -167.5 | 164.1 | 178.3 | 0 | 0 | 106.2 | | |
| 981 | P | 40 | Very low | 35.6 | Very low | 110 Ų | 110 | 155.6 Ų | 155.6 | 71% | 0.714 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -66 | 143 | -169.9 | -21.9 | 33.7 | 0 | 0 | 0 | 112.6 | | |
| 982 | E | 32.6 | Very low | 35.3 | Very low | 184 Ų | 184 | 157.7 Ų | 157.7 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 136.4 | 172.5 | -74.6 | -159.9 | 152 | 0 | 0 | 110.9 | S984 | E982-S984 PolarHBondContact O-N 3.46Š|
| 983 | P | 36.5 | Very low | 34.9 | Very low | 113 Ų | 113 | 162.4 Ų | 162.4 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | | | trans | -71.1 | 101 | 177.5 | 29 | -33.5 | 0 | 0 | 0 | 109.6 | N985 | P983-N985 PolarHBondContact O-N 3.12Š|
| 984 | S | 39.6 | Very low | 34.8 | Very low | 108 Ų | 108 | 168.1 Ų | 168.1 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | | | trans | -65.9 | 94 | 172.6 | 61.5 | 0 | 0 | 0 | 0 | 110.1 | E982 N986 | E982-S984 PolarHBondContact O-N 3.46Å; S984-N986 VanDerWaalsContact C-N 3.26Å; S984-N986 PolarHBondContact O-N 3.1Å |
| 985 | N | 33.9 | Very low | 34.6 | Very low | 150 Ų | 150 | 165.2 Ų | 165.2 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | | | trans | -61.8 | 82.1 | 169.7 | -82.5 | -40.2 | 0 | 0 | 0 | 110.5 | P983 | P983-N985 PolarHBondContact O-N 3.12Š|
| 986 | N | 33.3 | Very low | 34.8 | Very low | 146 Ų | 146 | 165.2 Ų | 165.2 | 78% | 0.781 | 82% | 0.824 | S | S | * | * | | | trans | -163.1 | 63.7 | 171.9 | -94.2 | -35 | 0 | 0 | 0 | 112.6 | S984 | S984-N986 VanDerWaalsContact C-N 3.26Å; S984-N986 PolarHBondContact O-N 3.1Å |
| 987 | Y | 32.6 | Very low | 34.9 | Very low | 227 Ų | 227 | 165 Ų | 165 | 89% | 0.89 | 83% | 0.829 | S | S | * | * | | | trans | -134 | 138.4 | 152.7 | -91.8 | -84.4 | 0 | 0 | 0 | 110.5 | | |
| 988 | P | 33.6 | Very low | 34.9 | Very low | 98 Ų | 98 | 157.2 Ų | 157.2 | 64% | 0.636 | 82% | 0.824 | S | S | * | * | | | trans | -79.2 | 162.6 | -164.2 | 32.1 | -36.3 | 0 | 0 | 0 | 113.7 | V990 | P988-V990 PolarHBondContact O-N 3.2Å; P988-V990 VanDerWaalsContact O-N 3.12Å |
| 989 | P | 37 | Very low | 34.6 | Very low | 127 Ų | 127 | 155.6 Ų | 155.6 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | | | trans | -68.9 | 109.7 | -170.4 | 27.1 | -35.7 | 0 | 0 | 0 | 112.8 | | |
| 990 | V | 36.8 | Very low | 34.4 | Very low | 146 Ų | 146 | 160.1 Ų | 160.1 | 89% | 0.885 | 83% | 0.833 | S | S | * | * | | | trans | -80.7 | 133.1 | 171.8 | -178.7 | 0 | 0 | 0 | 0 | 110 | P988 | P988-V990 PolarHBondContact O-N 3.2Å; P988-V990 VanDerWaalsContact O-N 3.12Å |
| 991 | Q | 37.9 | Very low | 34.6 | Very low | 177 Ų | 177 | 157.7 Ų | 157.7 | 83% | 0.827 | 83% | 0.831 | S | S | * | * | | | trans | -73.1 | 145.9 | -161.1 | -61.9 | 165.6 | 7.8 | 0 | 0 | 113.8 | R993 | Q991-R993 PolarHBondContact O-N 3.37Š|
| 992 | L | 32.9 | Very low | 33.8 | Very low | 179 Ų | 179 | 156 Ų | 156 | 94% | 0.937 | 83% | 0.834 | S | S | * | * | | | trans | -55.7 | 95.5 | 172 | -71.6 | 160.8 | 0 | 0 | 0 | 111.8 | | |
| 993 | R | 33.3 | Very low | 33.9 | Very low | 248 Ų | 248 | 156.2 Ų | 156.2 | 94% | 0.936 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 126.1 | 171.3 | -121.2 | 176.4 | 179.5 | 139.1 | 0.1 | 110 | Q991 | Q991-R993 PolarHBondContact O-N 3.37Š|
| 994 | R | 34.4 | Very low | 33.5 | Very low | 234 Ų | 234 | 156.3 Ų | 156.3 | 88% | 0.883 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 151.5 | -170.1 | -65.4 | 176.5 | -174.2 | 162.7 | 1.7 | 112.6 | | |
| 995 | P | 34.3 | Very low | 33.1 | Very low | 128 Ų | 128 | 157.9 Ų | 157.9 | 83% | 0.831 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 143 | -176.7 | 28.8 | -36.2 | 0 | 0 | 0 | 113.1 | K997 | P995-K997 PolarHBondContact O-N 2.91Š|
| 996 | S | 38.3 | Very low | 32.8 | Very low | 121 Ų | 121 | 156.7 Ų | 156.7 | 85% | 0.846 | 84% | 0.835 | S | S | * | * | | | trans | -78.9 | 112.2 | 176.6 | 53.4 | 0 | 0 | 0 | 0 | 112 | G998 | S996-G998 PolarHBondContact O-N 3.37Š|
| 997 | K | 33 | Very low | 32.5 | Very low | 217 Ų | 217 | 154.3 Ų | 154.3 | 94% | 0.943 | 83% | 0.829 | S | S | * | * | | | trans | -71.4 | 113.6 | 162 | -84.3 | 178.7 | 172.7 | 177.3 | 0 | 109.2 | P995 | P995-K997 PolarHBondContact O-N 2.91Š|
| 998 | G | 32 | Very low | 32.9 | Very low | 76 Ų | 76 | 151 Ų | 151 | 78% | 0.784 | 83% | 0.826 | S | S | * | * | | | trans | -139.8 | 93.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | S996 | S996-G998 PolarHBondContact O-N 3.37Š|
| 999 | Q | 29.4 | Very low | 32.7 | Very low | 190 Ų | 190 | 156.8 Ų | 156.8 | 89% | 0.888 | 84% | 0.835 | S | S | * | * | | | trans | -92.6 | 137.2 | 168.2 | -67.7 | -173.3 | -58.4 | 0 | 0 | 110 | | |
| 1000 | K | 34.1 | Very low | 32.2 | Very low | 194 Ų | 194 | 158 Ų | 158 | 84% | 0.843 | 83% | 0.834 | S | S | * | * | | | trans | -174 | 105.6 | 143.7 | -98.8 | 150.2 | -173 | -173.7 | 0 | 108.8 | | |
| 1001 | T | 30.3 | Very low | 32.2 | Very low | 138 Ų | 138 | 156.8 Ų | 156.8 | 85% | 0.847 | 83% | 0.832 | S | S | * | * | | | | 60 | 114.4 | 110.3 | 0.5 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1002 | G | 24.2 | Very low | 31.9 | Very low | 75 Ų | 75 | 155.7 Ų | 155.7 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | | | trans | -86.6 | 170.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1003 | Q | 34.5 | Very low | 31.8 | Very low | 189 Ų | 189 | 155 Ų | 155 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | | | trans | -139.4 | 146.6 | 163.6 | -69 | -170.8 | -10.2 | 0 | 0 | 109.2 | | |
| 1004 | S | 27.8 | Very low | 31.6 | Very low | 114 Ų | 114 | 148.1 Ų | 148.1 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | | | trans | -138.8 | 111 | -180 | 57.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1005 | I | 31.8 | Very low | 31.7 | Very low | 141 Ų | 141 | 142.8 Ų | 142.8 | 72% | 0.723 | 81% | 0.813 | S | S | * | * | | | trans | -148.5 | 93.9 | 176.6 | -50.6 | 178.7 | 0 | 0 | 0 | 104.8 | | |
| 1006 | T | 27.8 | Very low | 31.5 | Very low | 125 Ų | 125 | 146.1 Ų | 146.1 | 77% | 0.767 | 82% | 0.817 | S | S | * | * | | | | 60.1 | 137.5 | 91.6 | 65.5 | 0 | 0 | 0 | 0 | 117.1 | | |
| 1007 | S | 26.2 | Very low | 31.2 | Very low | 96 Ų | 96 | 143.6 Ų | 143.6 | 67% | 0.671 | 81% | 0.81 | S | S | * | * | | | trans | 80.5 | 117.8 | 162 | -178.7 | 0 | 0 | 0 | 0 | 120.9 | | |
| 1008 | I | 41.8 | Very low | 30.9 | Very low | 159 Ų | 159 | 142 Ų | 142 | 82% | 0.815 | 81% | 0.808 | S | S | * | * | | | trans | 173.3 | 96.1 | 131.4 | -82 | 146.8 | 0 | 0 | 0 | 104.7 | | |
| 1009 | R | 28 | Very low | 30.8 | Very low | 219 Ų | 219 | 144.1 Ų | 144.1 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | | | | 69.7 | 125.4 | 85 | -75.3 | -166.5 | -174.4 | -178.9 | 4 | 115.6 | | |
| 1010 | D | 28.3 | Very low | 30.8 | Very low | 152 Ų | 152 | 143 Ų | 143 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | | | trans | -68.3 | 158.3 | -172.9 | -43.1 | -82 | 0 | 0 | 0 | 114.6 | | |
| 1011 | S | 35.5 | Very low | 30.7 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | | | trans | -139.7 | 116.1 | 160.8 | -69.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1012 | L | 31.4 | Very low | 30.6 | Very low | 155 Ų | 155 | 138.5 Ų | 138.5 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | | | trans | -125.4 | 159.4 | 170.2 | -63.3 | 173.7 | 0 | 0 | 0 | 107 | | |
| 1013 | I | 30.7 | Very low | 31.1 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | | | trans | 97.1 | 131 | -166.6 | -80.5 | 65 | 0 | 0 | 0 | 111.1 | | |
| 1014 | S | 29.2 | Very low | 30.9 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | | | cis | -158 | 172.4 | -5.7 | -103.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1015 | P | 37.4 | Very low | 30.8 | Very low | 123 Ų | 123 | 136.5 Ų | 136.5 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | | | trans | -104.6 | 146.9 | -178.3 | 38.1 | -30.6 | 0 | 0 | 0 | 114.6 | | |
| 1016 | E | 29.8 | Very low | 30.5 | Very low | 198 Ų | 198 | 139.9 Ų | 139.9 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | | | trans | -159.7 | 150.7 | 173.7 | -149.4 | 156.8 | -173.7 | 0 | 0 | 113.8 | | |
| 1017 | G | 32.3 | Very low | 30.6 | Very low | 67 Ų | 67 | 141.1 Ų | 141.1 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | | | trans | 85 | 91.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 1018 | M | 25.6 | Very low | 30.7 | Very low | 183 Ų | 183 | 144.6 Ų | 144.6 | 90% | 0.901 | 82% | 0.815 | S | S | * | * | | | cis | 64.8 | 97.6 | 37.7 | -68.5 | 176 | 57.7 | 0 | 0 | 116.1 | | |
| 1019 | S | 31 | Very low | 30.2 | Very low | 121 Ų | 121 | 143 Ų | 143 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | | | | -178.1 | 123.3 | 125.3 | 53.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1020 | I | 29.4 | Very low | 30.4 | Very low | 166 Ų | 166 | 142.7 Ų | 142.7 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | | | trans | -116.8 | 129.3 | 170.2 | -63.4 | 171.5 | 0 | 0 | 0 | 107.7 | S1022 | I1020-S1022 PolarHBondContact O-N 2.92Š|
| 1021 | P | 31.1 | Very low | 30.5 | Very low | 120 Ų | 120 | 138.9 Ų | 138.9 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | | | trans | -84.2 | 113.4 | 176.5 | 31.4 | -31.5 | 0 | 0 | 0 | 112.5 | | |
| 1022 | S | 28 | Very low | 30.6 | Very low | 119 Ų | 119 | 140 Ų | 140 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | | | trans | 23.1 | 113.8 | 146.9 | -53.2 | 0 | 0 | 0 | 0 | 120.7 | I1020 | I1020-S1022 PolarHBondContact O-N 2.92Š|
| 1023 | T | 34.9 | Very low | 30.8 | Very low | 141 Ų | 141 | 143.4 Ų | 143.4 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | | | trans | -103.7 | 142.5 | 144.1 | 45.3 | 0 | 0 | 0 | 0 | 110 | | |
| 1024 | P | 30.3 | Very low | 30.9 | Very low | 131 Ų | 131 | 143 Ų | 143 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | | | trans | -100.6 | 132.3 | -175.4 | 16.3 | 2.4 | 0 | 0 | 0 | 113.6 | | |
| 1025 | G | 25.6 | Very low | 31.4 | Very low | 64 Ų | 64 | 142.4 Ų | 142.4 | 66% | 0.66 | 78% | 0.78 | S | S | * | * | | | trans | 108.6 | 115.6 | 138.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 1026 | Y | 26.4 | Very low | 32.1 | Very low | 211 Ų | 211 | 143.7 Ų | 143.7 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | | | trans | 64.5 | 136 | 148.1 | -71.5 | -112.6 | 0 | 0 | 0 | 117.5 | | |
| 1027 | E | 30.1 | Very low | 33.1 | Very low | 152 Ų | 152 | 143.4 Ų | 143.4 | 71% | 0.71 | 78% | 0.776 | S | S | * | * | | | cis | -156.7 | 141.5 | -3.3 | -134.2 | 170.3 | -164.6 | 0 | 0 | 109.4 | | |
| 1028 | N | 27.9 | Very low | 34.1 | Very low | 168 Ų | 168 | 144.3 Ų | 144.3 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | | | trans | -89.6 | 110.6 | -179.7 | -92.9 | -32.5 | 0 | 0 | 0 | 111.3 | | |
| 1029 | I | 30.6 | Very low | 34.9 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 65% | 0.646 | 76% | 0.763 | S | S | * | * | | | trans | -143.5 | 141.6 | 160.2 | -32.4 | 177.6 | 0 | 0 | 0 | 111.9 | | |
| 1030 | Y | 32.3 | Very low | 35.2 | Very low | 213 Ų | 213 | 141.2 Ų | 141.2 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | | | trans | 80.5 | 63 | 171.8 | -56.8 | -67.9 | 0 | 0 | 0 | 119.2 | | |
| 1031 | G | 31.7 | Very low | 35.6 | Very low | 72 Ų | 72 | 142.1 Ų | 142.1 | 74% | 0.742 | 75% | 0.75 | S | S | * | * | | | | 69.4 | 69.8 | 99.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 1032 | I | 36.4 | Very low | 36.1 | Very low | 144 Ų | 144 | 143.7 Ų | 143.7 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | | | trans | -97.8 | 108.7 | 154.1 | -57.5 | -179.3 | 0 | 0 | 0 | 107.6 | Y1034 | I1032-Y1034 PolarHBondContact O-N 3.37Š|
| 1033 | Y | 37.1 | Very low | 36.7 | Very low | 225 Ų | 225 | 146.1 Ų | 146.1 | 88% | 0.882 | 74% | 0.744 | S | S | * | * | | | trans | -63.4 | 117.4 | 176.7 | -92.1 | -103.9 | 0 | 0 | 0 | 110.4 | | |
| 1034 | Y | 31.6 | Very low | 36.7 | Very low | 156 Ų | 156 | 142.1 Ų | 142.1 | 61% | 0.612 | 73% | 0.731 | S | S | * | * | | | trans | -77.1 | 142.7 | 156.8 | -81.4 | -104.4 | 0 | 0 | 0 | 108.6 | I1032 Y1041 | I1032-Y1034 PolarHBondContact O-N 3.37Å; Y1034-Y1041 HydrophobicContact CE1-CE1 4.4Å; Y1034-Y1041 PolarHBondContact OH-OH 2.95Å |
| 1035 | D | 39.5 | Very low | 37.2 | Very low | 90 Ų | 90 | 143.9 Ų | 143.9 | 48% | 0.481 | 73% | 0.733 | S | S | . | * | | | trans | -111.7 | 102.6 | 165.3 | -175.8 | -6.1 | 0 | 0 | 0 | 108.3 | K1037 | D1035-K1037 PolarHBondContact O-N 3.48Å; D1035-K1037 PolarHBondContact OD1-N 2.85Å |
| 1036 | D | 51.5 | Low | 37.8 | Very low | 151 Ų | 151 | 146.6 Ų | 146.6 | 81% | 0.807 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | -16.1 | -167.8 | -41.3 | -19.4 | 0 | 0 | 0 | 113.8 | | |
| 1037 | K | 51.4 | Low | 38.3 | Very low | 191 Ų | 191 | 144.1 Ų | 144.1 | 83% | 0.83 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -17.5 | -166.9 | -66.6 | 176.7 | -177.6 | 171.6 | 0 | 115.2 | D1035 | D1035-K1037 PolarHBondContact O-N 3.48Å; D1035-K1037 PolarHBondContact OD1-N 2.85Å |
| 1038 | T | 53.3 | Low | 38.5 | Very low | 87 Ų | 87 | 144 Ų | 144 | 53% | 0.534 | 73% | 0.732 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -120.6 | -13.7 | -174.5 | 63.9 | 0 | 0 | 0 | 0 | 115.2 | K1040 | T1038-K1040 PolarHBondContact O-N 3.17Š|
| 1039 | G | 42.9 | Very low | 38.9 | Very low | 77 Ų | 77 | 143.7 Ų | 143.7 | 79% | 0.794 | 73% | 0.725 | S | S | * | * | | | trans | 60 | 18.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 1040 | K | 37.9 | Very low | 39.1 | Very low | 161 Ų | 161 | 142.8 Ų | 142.8 | 70% | 0.7 | 73% | 0.729 | S | S | * | * | | | trans | -111.3 | 124.7 | 177.6 | -66.2 | -69.6 | -179.6 | 178.8 | 0 | 108.1 | T1038 M1042 | T1038-K1040 PolarHBondContact O-N 3.17Å; K1040-M1042 PolarHBondContact O-N 2.89Å; K1040-M1042 VanDerWaalsContact O-N 3.11Å |
| 1041 | Y | 37.2 | Very low | 39.2 | Very low | 186 Ų | 186 | 139.9 Ų | 139.9 | 73% | 0.729 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 116.7 | 166.8 | -82.9 | -97.3 | 0 | 0 | 0 | 109.1 | Y1034 K1043 | Y1034-Y1041 HydrophobicContact CE1-CE1 4.4Å; Y1034-Y1041 PolarHBondContact OH-OH 2.95Å; Y1041-K1043 PolarHBondContact O-N 2.9Å |
| 1042 | M | 40.6 | Very low | 39.1 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 116.1 | 162.3 | -70.6 | -147.1 | 71.5 | 0 | 0 | 107.7 | K1040 G1044 | K1040-M1042 PolarHBondContact O-N 2.89Å; K1040-M1042 VanDerWaalsContact O-N 3.11Å; M1042-G1044 PolarHBondContact O-N 2.83Å; M1042-G1044 VanDerWaalsContact O-N 3.11Å |
| 1043 | K | 41.7 | Very low | 38.9 | Very low | 169 Ų | 169 | 141.2 Ų | 141.2 | 74% | 0.735 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -61 | 116.7 | 169.5 | -170 | -172 | -179.4 | -137.1 | 0 | 106.6 | Y1041 D1046 | Y1041-K1043 PolarHBondContact O-N 2.9Å; K1043-D1046 IonicContact NZ-OD1 2.73Å; K1043-D1046 PolarHBondContact NZ-OD1 2.76Å |
| 1044 | G | 35.4 | Very low | 38.9 | Very low | 57 Ų | 57 | 135.4 Ų | 135.4 | 59% | 0.588 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 145.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | M1042 D1046 | M1042-G1044 PolarHBondContact O-N 2.83Å; M1042-G1044 VanDerWaalsContact O-N 3.11Å; G1044-D1046 PolarHBondContact O-N 3.36Å |
| 1045 | L | 39.9 | Very low | 39.2 | Very low | 168 Ų | 168 | 136.7 Ų | 136.7 | 88% | 0.88 | 74% | 0.738 | S | S | * | * | | | trans | -44.3 | 133.8 | 177.7 | -165.2 | 72.9 | 0 | 0 | 0 | 109.6 | H1047 | L1045-H1047 VanDerWaalsContact C-N 3.3Å; L1045-H1047 PolarHBondContact O-N 2.93Å |
| 1046 | D | 38.8 | Very low | 39.1 | Very low | 122 Ų | 122 | 140.7 Ų | 140.7 | 65% | 0.652 | 75% | 0.753 | S | S | * | * | | | trans | -59 | 93.4 | -175.7 | -63.7 | -66.1 | 0 | 0 | 0 | 109.7 | K1043 G1044 D1048 | K1043-D1046 IonicContact NZ-OD1 2.73Å; K1043-D1046 PolarHBondContact NZ-OD1 2.76Å; G1044-D1046 PolarHBondContact O-N 3.36Å; D1046-D1048 PolarHBondContact O-N 2.96Å |
| 1047 | H | 35.6 | Very low | 38.1 | Very low | 159 Ų | 159 | 144.4 Ų | 144.4 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | | | trans | -73 | 124.7 | 172.2 | -140.8 | 69.2 | 0 | 0 | 0 | 105.8 | L1045 H1049 | L1045-H1047 VanDerWaalsContact C-N 3.3Å; L1045-H1047 PolarHBondContact O-N 2.93Å; H1047-H1049 PolarHBondContact O-N 3.22Å |
| 1048 | D | 35.2 | Very low | 37.5 | Very low | 149 Ų | 149 | 143.1 Ų | 143.1 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | | | trans | -62.4 | 84.6 | -179.2 | -71.8 | -61 | 0 | 0 | 0 | 110.3 | D1046 S1050 | D1046-D1048 PolarHBondContact O-N 2.96Å; D1048-S1050 PolarHBondContact O-N 3.39Å |
| 1049 | H | 36.4 | Very low | 36.7 | Very low | 162 Ų | 162 | 143.8 Ų | 143.8 | 75% | 0.75 | 77% | 0.765 | S | S | * | * | | | trans | -65.9 | 77.4 | 155.7 | -66 | -39.3 | 0 | 0 | 0 | 106.6 | H1047 N1051 | H1047-H1049 PolarHBondContact O-N 3.22Å; H1049-N1051 PolarHBondContact O-N 2.94Å |
| 1050 | S | 34.7 | Very low | 36.3 | Very low | 106 Ų | 106 | 150.9 Ų | 150.9 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | | | trans | -42.4 | 111.7 | 157.8 | 52.2 | 0 | 0 | 0 | 0 | 106.4 | D1048 G1052 | D1048-S1050 PolarHBondContact O-N 3.39Å; S1050-G1052 VanDerWaalsContact C-N 3.31Å; S1050-G1052 PolarHBondContact O-N 2.9Å |
| 1051 | N | 34.6 | Very low | 36.3 | Very low | 152 Ų | 152 | 148.7 Ų | 148.7 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | | | trans | -59.2 | 104.7 | 176.4 | -94.8 | -4.8 | 0 | 0 | 0 | 106 | H1049 M1053 | H1049-N1051 PolarHBondContact O-N 2.94Å; N1051-M1053 PolarHBondContact O-N 2.88Å |
| 1052 | G | 29.4 | Very low | 36.2 | Very low | 71 Ų | 71 | 150.8 Ų | 150.8 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | | | trans | -49.7 | 113.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 106.1 | S1050 S1054 | S1050-G1052 VanDerWaalsContact C-N 3.31Å; S1050-G1052 PolarHBondContact O-N 2.9Å; G1052-S1054 VanDerWaalsContact C-N 3.32Å; G1052-S1054 PolarHBondContact O-N 3.13Å |
| 1053 | M | 33.4 | Very low | 36.2 | Very low | 173 Ų | 173 | 147.4 Ų | 147.4 | 85% | 0.852 | 77% | 0.768 | S | S | * | * | | | trans | -58.9 | 98.5 | -171.6 | -72.8 | -92.2 | -77.8 | 0 | 0 | 107.8 | N1051 Q1055 | N1051-M1053 PolarHBondContact O-N 2.88Å; M1053-Q1055 VanDerWaalsContact C-N 3.35Å; M1053-Q1055 PolarHBondContact O-N 3.45Å |
| 1054 | S | 36.1 | Very low | 36.1 | Very low | 104 Ų | 104 | 148.2 Ų | 148.2 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | trans | -55.3 | 108.6 | 163.3 | 53.8 | 0 | 0 | 0 | 0 | 105 | G1052 E1056 | G1052-S1054 VanDerWaalsContact C-N 3.32Å; G1052-S1054 PolarHBondContact O-N 3.13Å; S1054-E1056 PolarHBondContact O-N 2.86Å |
| 1055 | Q | 37.2 | Very low | 36.2 | Very low | 183 Ų | 183 | 152.7 Ų | 152.7 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | | | trans | -68.4 | 80.9 | 179 | -66.3 | -174.4 | 6.9 | 0 | 0 | 107.7 | M1053 R1057 | M1053-Q1055 VanDerWaalsContact C-N 3.35Å; M1053-Q1055 PolarHBondContact O-N 3.45Å; Q1055-R1057 VanDerWaalsContact C-N 3.31Å; Q1055-R1057 PolarHBondContact O-N 2.88Å |
| 1056 | E | 37.1 | Very low | 36 | Very low | 173 Ų | 173 | 150.2 Ų | 150.2 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | | | trans | -57.3 | 103.7 | 162.8 | -100.3 | -164.2 | 152 | 0 | 0 | 105.9 | S1054 I1058 | S1054-E1056 PolarHBondContact O-N 2.86Å; E1056-I1058 PolarHBondContact O-N 3.28Å; E1056-I1058 VanDerWaalsContact O-N 3.15Å |
| 1057 | R | 31.6 | Very low | 35.8 | Very low | 230 Ų | 230 | 149.4 Ų | 149.4 | 87% | 0.868 | 77% | 0.768 | S | S | * | * | | | trans | -45.8 | 125.4 | 174.1 | -63.6 | 176 | -177.9 | 172.9 | 0.4 | 107.1 | Q1055 S1059 | Q1055-R1057 VanDerWaalsContact C-N 3.31Å; Q1055-R1057 PolarHBondContact O-N 2.88Å; R1057-S1059 VanDerWaalsContact C-N 3.3Å; R1057-S1059 PolarHBondContact O-N 2.95Å |
| 1058 | I | 38.8 | Very low | 35.7 | Very low | 164 Ų | 164 | 145.9 Ų | 145.9 | 84% | 0.841 | 77% | 0.766 | S | S | * | * | | | trans | -48.5 | 96.5 | -176.2 | -60 | 106.7 | 0 | 0 | 0 | 109.4 | E1056 R1060 | E1056-I1058 PolarHBondContact O-N 3.28Å; E1056-I1058 VanDerWaalsContact O-N 3.15Å; I1058-R1060 PolarHBondContact O-N 3.22Å |
| 1059 | S | 35.7 | Very low | 35.7 | Very low | 101 Ų | 101 | 144.2 Ų | 144.2 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | | | trans | -70.1 | 109.8 | 178.5 | 54.5 | 0 | 0 | 0 | 0 | 105.2 | R1057 | R1057-S1059 VanDerWaalsContact C-N 3.3Å; R1057-S1059 PolarHBondContact O-N 2.95Å |
| 1060 | R | 34.4 | Very low | 35.5 | Very low | 225 Ų | 225 | 141 Ų | 141 | 85% | 0.849 | 76% | 0.757 | S | S | * | * | | | trans | -36.8 | 129.6 | 174.9 | -79.8 | 176.9 | 159.8 | 177.1 | -6.1 | 108.6 | I1058 R1062 | I1058-R1060 PolarHBondContact O-N 3.22Å; R1060-R1062 PolarHBondContact O-N 3.48Å |
| 1061 | P | 38.6 | Very low | 35.3 | Very low | 115 Ų | 115 | 147.8 Ų | 147.8 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | | | trans | -56.3 | 105.5 | -171.1 | 21.6 | -33.1 | 0 | 0 | 0 | 109.4 | S1063 | P1061-S1063 PolarHBondContact O-N 2.88Å; P1061-S1063 VanDerWaalsContact O-N 3.11Å |
| 1062 | R | 35.2 | Very low | 34.9 | Very low | 230 Ų | 230 | 144.2 Ų | 144.2 | 87% | 0.868 | 75% | 0.754 | S | S | * | * | | | trans | -51.9 | 124.8 | 163.5 | -75.5 | 177.8 | 66.1 | 105.3 | -4 | 104.9 | R1060 K1064 | R1060-R1062 PolarHBondContact O-N 3.48Å; R1062-K1064 PolarHBondContact O-N 3.14Å |
| 1063 | S | 39.9 | Very low | 35.2 | Very low | 82 Ų | 82 | 146.9 Ų | 146.9 | 57% | 0.573 | 76% | 0.761 | S | S | * | * | | | trans | -30.5 | 116.3 | 178.1 | 170.3 | 0 | 0 | 0 | 0 | 109.5 | P1061 H1065 | P1061-S1063 PolarHBondContact O-N 2.88Å; P1061-S1063 VanDerWaalsContact O-N 3.11Å; S1063-H1065 PolarHBondContact O-CD2 3.25Å; S1063-H1065 VanDerWaalsContact O-CD2 3.29Å; S1063-H1065 PolarHBondContact O-N 3.27Å; S1063-H1065 PolarHBondContact OG-CD2 3.29Å; S1063-H1065 VanDerWaalsContact OG-CD2 3.31Å; S1063-H1065 PolarHBondContact OG-NE2 3.43Å |
| 1064 | K | 39.2 | Very low | 34.8 | Very low | 187 Ų | 187 | 141.7 Ų | 141.7 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | | | trans | -68.7 | 73.5 | 177.2 | -72.5 | -88.7 | -171.3 | 174 | 0 | 108.2 | R1062 T1066 | R1062-K1064 PolarHBondContact O-N 3.14Å; K1064-T1066 PolarHBondContact O-N 2.8Å |
| 1065 | H | 37.8 | Very low | 34.4 | Very low | 150 Ų | 150 | 146.9 Ų | 146.9 | 69% | 0.694 | 76% | 0.757 | S | S | * | * | | | trans | -63.2 | 78.3 | 144.7 | -57.5 | -75.9 | 0 | 0 | 0 | 105.5 | S1063 T1067 | S1063-H1065 PolarHBondContact O-CD2 3.25Å; S1063-H1065 VanDerWaalsContact O-CD2 3.29Å; S1063-H1065 PolarHBondContact O-N 3.27Å; S1063-H1065 PolarHBondContact OG-CD2 3.29Å; S1063-H1065 VanDerWaalsContact OG-CD2 3.31Å; S1063-H1065 PolarHBondContact OG-NE2 3.43Å; H1065-T1067 PolarHBondContact O-N 2.92Å |
| 1066 | T | 36.2 | Very low | 34 | Very low | 116 Ų | 116 | 150 Ų | 150 | 71% | 0.712 | 76% | 0.763 | S | S | * | * | | | trans | -70.6 | 66 | 165.7 | 174.1 | 0 | 0 | 0 | 0 | 107.7 | K1064 A1068 | K1064-T1066 PolarHBondContact O-N 2.8Å; T1066-A1068 PolarHBondContact O-N 3.28Å |
| 1067 | T | 35.1 | Very low | 33.6 | Very low | 105 Ų | 105 | 144.1 Ų | 144.1 | 64% | 0.644 | 75% | 0.749 | S | S | * | * | | | trans | -57.9 | 108 | 157.6 | -53.1 | 0 | 0 | 0 | 0 | 104.8 | H1065 T1069 | H1065-T1067 PolarHBondContact O-N 2.92Å; T1067-T1069 HydrophobicContact CG2-CG2 4.17Å; T1067-T1069 PolarHBondContact O-N 3.03Å |
| 1068 | A | 34.4 | Very low | 33.9 | Very low | 85 Ų | 85 | 141.2 Ų | 141.2 | 70% | 0.702 | 75% | 0.749 | S | S | * | * | | | trans | -73.3 | 65.5 | -180 | 0 | 0 | 0 | 0 | 0 | 109.9 | T1066 S1070 | T1066-A1068 PolarHBondContact O-N 3.28Å; A1068-S1070 PolarHBondContact O-N 2.97Å |
| 1069 | T | 33.9 | Very low | 33.9 | Very low | 115 Ų | 115 | 141.6 Ų | 141.6 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | | | trans | -77.7 | 72.1 | 161.1 | 42.3 | 0 | 0 | 0 | 0 | 107.9 | T1067 R1071 | T1067-T1069 HydrophobicContact CG2-CG2 4.17Å; T1067-T1069 PolarHBondContact O-N 3.03Å; T1069-R1071 PolarHBondContact O-N 2.89Å |
| 1070 | S | 32.8 | Very low | 34.1 | Very low | 93 Ų | 93 | 139.5 Ų | 139.5 | 65% | 0.65 | 75% | 0.747 | S | S | * | * | | | trans | -67.4 | 80.6 | 171.9 | 41.4 | 0 | 0 | 0 | 0 | 110.4 | A1068 S1072 | A1068-S1070 PolarHBondContact O-N 2.97Å; S1070-S1072 PolarHBondContact O-N 3.26Å; S1070-S1072 VanDerWaalsContact O-N 3.11Å |
| 1071 | R | 29.1 | Very low | 34.7 | Very low | 250 Ų | 250 | 131.2 Ų | 131.2 | 94% | 0.943 | 72% | 0.724 | S | S | * | * | | | trans | -76.6 | 43.6 | 150.4 | -61.4 | -171.4 | 85.1 | -171.1 | 7.1 | 109.8 | T1069 S1073 | T1069-R1071 PolarHBondContact O-N 2.89Å; R1071-S1073 PolarHBondContact O-N 2.98Å |
| 1072 | S | 26.8 | Very low | 35.4 | Very low | 76 Ų | 76 | 134.6 Ų | 134.6 | 53% | 0.531 | 73% | 0.727 | S | S | . | * | | | trans | -87.1 | 106.1 | 171.7 | 54.2 | 0 | 0 | 0 | 0 | 108.1 | S1070 G1074 | S1070-S1072 PolarHBondContact O-N 3.26Å; S1070-S1072 VanDerWaalsContact O-N 3.11Å; S1072-G1074 PolarHBondContact O-N 2.79Å |
| 1073 | S | 35.1 | Very low | 36.3 | Very low | 127 Ų | 127 | 127.6 Ų | 127.6 | 89% | 0.888 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52 | 134.4 | 163 | -171.6 | 0 | 0 | 0 | 0 | 109.5 | R1071 | R1071-S1073 PolarHBondContact O-N 2.98Š|
| 1074 | G | 27 | Very low | 36.6 | Very low | 65 Ų | 65 | 125.3 Ų | 125.3 | 67% | 0.67 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 104.4 | 2.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | S1072 | S1072-G1074 PolarHBondContact O-N 2.79Š|
| 1075 | Y | 26.8 | Very low | 37.3 | Very low | 213 Ų | 213 | 120.6 Ų | 120.6 | 84% | 0.835 | 67% | 0.671 | S | S | * | * | | | trans | -103.8 | 89.1 | 172.8 | -115.5 | -96.3 | 0 | 0 | 0 | 113.1 | G1077 | Y1075-G1077 PolarHBondContact O-N 3.32Å; Y1075-G1077 VanDerWaalsContact O-N 3.13Å |
| 1076 | Y | 27.8 | Very low | 38.2 | Very low | 247 Ų | 247 | 118.1 Ų | 118.1 | 97% | 0.969 | 66% | 0.661 | S | S | * | * | | | trans | -69.5 | 96.6 | 161.6 | -89 | -101.5 | 0 | 0 | 0 | 109 | | |
| 1077 | G | 30.3 | Very low | 38.9 | Very low | 50 Ų | 50 | 116.3 Ų | 116.3 | 52% | 0.515 | 65% | 0.647 | S | S | . | * | | | trans | -174.1 | 122.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y1075 | Y1075-G1077 PolarHBondContact O-N 3.32Å; Y1075-G1077 VanDerWaalsContact O-N 3.13Å |
| 1078 | I | 37.5 | Very low | 39.6 | Very low | 169 Ų | 169 | 114.7 Ų | 114.7 | 87% | 0.867 | 64% | 0.64 | S | S | * | * | | | trans | 67.7 | 98.4 | -179 | -47.4 | 163.8 | 0 | 0 | 0 | 112.1 | G1080 | I1078-G1080 PolarHBondContact O-N 2.77Š|
| 1079 | N | 38.8 | Very low | 40.2 | Very low | 173 Ų | 173 | 113.2 Ų | 113.2 | 93% | 0.925 | 62% | 0.622 | S | S | * | * | | | trans | -66.9 | 71.6 | 166 | -75.4 | -20.4 | 0 | 0 | 0 | 110.4 | S1081 | N1079-S1081 PolarHBondContact O-N 3.12Š|
| 1080 | G | 39.6 | Very low | 40.8 | Very low | 57 Ų | 57 | 113.6 Ų | 113.6 | 59% | 0.588 | 61% | 0.614 | S | S | * | * | | | trans | -58.9 | 107.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | I1078 K1082 | I1078-G1080 PolarHBondContact O-N 2.77Å; G1080-K1082 PolarHBondContact O-N 2.78Å; G1080-K1082 VanDerWaalsContact O-N 3.11Å |
| 1081 | S | 46.9 | Very low | 41.4 | Very low | 51 Ų | 51 | 116.5 Ų | 116.5 | 36% | 0.357 | 61% | 0.611 | S | S | . | * | | | trans | -40.8 | 119 | 179.5 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | N1079 H1083 S1084 | N1079-S1081 PolarHBondContact O-N 3.12Å; S1081-H1083 PolarHBondContact O-N 3.06Å; S1081-H1083 PolarHBondContact OG-CD2 3.35Å; S1081-S1084 PolarHBondContact O-N 2.73Å |
| 1082 | K | 54.2 | Low | 42.2 | Very low | 186 Ų | 186 | 115 Ų | 115 | 81% | 0.809 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | 0.5 | -179.1 | -64.4 | -179.2 | 180 | 176.8 | 0 | 113.6 | G1080 | G1080-K1082 PolarHBondContact O-N 2.78Å; G1080-K1082 VanDerWaalsContact O-N 3.11Å |
| 1083 | H | 52.6 | Low | 43.1 | Very low | 83 Ų | 83 | 114.3 Ų | 114.3 | 38% | 0.384 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -109.7 | -5.1 | -170.4 | -26.6 | -45.6 | 0 | 0 | 0 | 112 | S1081 W1226 I1227 | S1081-H1083 PolarHBondContact O-N 3.06Å; S1081-H1083 PolarHBondContact OG-CD2 3.35Å; H1083-W1226 HydrophobicContact CB-CZ2 4.46Å; H1083-W1226 WeakPolarHBondContact O-CA 3.49Å; H1083-I1227 PolarHBondContact O-N 3.4Å |
| 1084 | S | 47.4 | Very low | 43.5 | Very low | 33 Ų | 33 | 114.6 Ų | 114.6 | 23% | 0.231 | 59% | 0.589 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.6 | 120.5 | 178.9 | 82.4 | 0 | 0 | 0 | 0 | 113.5 | S1081 R1224 | S1081-S1084 PolarHBondContact O-N 2.73Å; S1084-R1224 PolarHBondContact OG-NE 3.39Å; S1084-R1224 VanDerWaalsContact OG-NE 3.12Å; S1084-R1224 PolarHBondContact OG-NH2 3Å |
| 1085 | L | 54 | Low | 44.5 | Very low | 89 Ų | 89 | 115.6 Ų | 115.6 | 47% | 0.466 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.7 | 133.1 | 168 | 179.9 | 65.2 | 0 | 0 | 0 | 109.5 | I1087 V1225 I1227 | L1085-I1087 HydrophobicContact CD2-CD1 4.34Å; L1085-I1087 HydrophobicContact CD2-CG1 4.04Å; L1085-I1087 HydrophobicContact CG-CG1 4.12Å; L1085-V1225 PolarHBondContact N-O 3.28Å; L1085-V1225 PolarHBondContact O-N 3.18Å; L1085-I1227 HydrophobicContact CB-CD1 3.72Å; L1085-I1227 HydrophobicContact CB-CG1 4.25Å; L1085-I1227 HydrophobicContact CD2-CD1 4.14Å |
| 1086 | I | 55.2 | Low | 45.1 | Very low | 97 Ų | 97 | 109 Ų | 109 | 50% | 0.497 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.1 | 109.3 | 173.1 | -60.9 | 171.9 | 0 | 0 | 0 | 108 | L1222 R1224 | I1086-L1222 HydrophobicContact CG2-CB 4.04Å; I1086-L1222 HydrophobicContact CG2-CD1 4.34Å; I1086-L1222 HydrophobicContact CG2-CD2 4.28Å; I1086-L1222 HydrophobicContact CG2-CG 4.45Å; I1086-R1224 HydrophobicContact CG1-CG 4.13Å |
| 1087 | I | 51.6 | Low | 45.9 | Very low | 78 Ų | 78 | 104.4 Ų | 104.4 | 40% | 0.4 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.2 | 113 | 174.9 | -54.7 | -176.3 | 0 | 0 | 0 | 108.2 | L1085 S1223 V1225 | L1085-I1087 HydrophobicContact CD2-CD1 4.34Å; L1085-I1087 HydrophobicContact CD2-CG1 4.04Å; L1085-I1087 HydrophobicContact CG-CG1 4.12Å; I1087-S1223 PolarHBondContact N-O 2.99Å; I1087-S1223 PolarHBondContact O-N 3.49Å; I1087-V1225 HydrophobicContact CD1-CB 4.35Å; I1087-V1225 HydrophobicContact CD1-CG2 3.72Å; I1087-V1225 HydrophobicContact CG1-CG2 4.16Å |
| 1088 | S | 49.4 | Very low | 46.4 | Very low | 72 Ų | 72 | 105.9 Ų | 105.9 | 50% | 0.503 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.9 | 117.5 | 171.9 | 65.2 | 0 | 0 | 0 | 0 | 110 | K1090 | S1088-K1090 PolarHBondContact O-N 3.17Å |
| 1089 | T | 47.3 | Very low | 46.4 | Very low | 53 Ų | 53 | 102.1 Ų | 102.1 | 33% | 0.325 | 58% | 0.575 | S | S | . | * | | | trans | -95.1 | 96.8 | 177.1 | -50.1 | 0 | 0 | 0 | 0 | 108.9 | R1091 S1221 | T1089-R1091 HydrophobicContact CG2-CG 4.14Å; T1089-R1091 PolarHBondContact O-N 3.12Å; T1089-R1091 VanDerWaalsContact O-N 3.1Å; T1089-S1221 PolarHBondContact N-O 3.47Å |
| 1090 | K | 46.4 | Very low | 46.5 | Very low | 124 Ų | 124 | 98.8 Ų | 98.8 | 54% | 0.539 | 56% | 0.561 | S | S | . | * | | | trans | -83 | 79.6 | 175.3 | -166.2 | 178.9 | -172.1 | 119.8 | 0 | 110.7 | S1088 R1092 H1219 | S1088-K1090 PolarHBondContact O-N 3.17Å; K1090-R1092 PolarHBondContact O-N 3.17Å; K1090-H1219 PolarHBondContact NZ-NE2 2.85Å |
| 1091 | R | 46.4 | Very low | 46.3 | Very low | 153 Ų | 153 | 102.9 Ų | 102.9 | 58% | 0.577 | 57% | 0.565 | S | S | * | * | | | trans | -78.4 | 108 | 162.6 | -71.5 | -166.9 | -66.3 | -140.7 | 3.3 | 108.2 | T1089 T1093 E1220 | T1089-R1091 HydrophobicContact CG2-CG 4.14Å; T1089-R1091 PolarHBondContact O-N 3.12Å; T1089-R1091 VanDerWaalsContact O-N 3.1Å; R1091-T1093 PolarHBondContact O-N 3.02Å; R1091-E1220 HydrophobicContact CB-CG 4.12Å; R1091-E1220 IonicContact CZ-OE1 3.21Å; R1091-E1220 IonicContact NE-OE1 2.71Å; R1091-E1220 PolarHBondContact NE-OE1 2.78Å; R1091-E1220 IonicContact NH2-OE1 3.35Å; R1091-E1220 PolarHBondContact NH2-OE1 3.03Å |
| 1092 | R | 45.9 | Very low | 46.2 | Very low | 220 Ų | 220 | 106.6 Ų | 106.6 | 83% | 0.83 | 59% | 0.587 | S | S | * | * | | | trans | -60.8 | 100.1 | 165.9 | -85.4 | -179.4 | 169.7 | 150.4 | -5.2 | 107.7 | K1090 L1094 | K1090-R1092 PolarHBondContact O-N 3.17Å; R1092-L1094 PolarHBondContact O-N 2.97Å |
| 1093 | T | 44.7 | Very low | 45.6 | Very low | 61 Ų | 61 | 101.6 Ų | 101.6 | 37% | 0.374 | 58% | 0.576 | S | S | . | * | | | trans | -66.9 | 121.9 | 165.5 | 52.9 | 0 | 0 | 0 | 0 | 107.6 | R1091 S1095 G1096 | R1091-T1093 PolarHBondContact O-N 3.02Å; T1093-S1095 WeakPolarHBondContact CB-OG 3.29Å; T1093-S1095 PolarHBondContact O-N 3.31Å; T1093-S1095 PolarHBondContact OG1-OG 2.87Å; T1093-G1096 PolarHBondContact O-N 2.93Å |
| 1094 | L | 44.1 | Very low | 45 | Very low | 133 Ų | 133 | 106.3 Ų | 106.3 | 70% | 0.696 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -63.8 | -6.4 | -178.8 | -72.5 | 170.2 | 0 | 0 | 0 | 113.3 | R1092 G1096 L1097 | R1092-L1094 PolarHBondContact O-N 2.97Å; L1094-G1096 PolarHBondContact O-N 3.12Å; L1094-L1097 HydrophobicContact CD2-CD1 4.11Å; L1094-L1097 PolarHBondContact O-N 2.66Å |
| 1095 | S | 47.6 | Very low | 44.8 | Very low | 85 Ų | 85 | 112.8 Ų | 112.8 | 59% | 0.594 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -52.5 | -18.7 | 168.8 | 58.3 | 0 | 0 | 0 | 0 | 114.7 | T1093 | T1093-S1095 WeakPolarHBondContact CB-OG 3.29Å; T1093-S1095 PolarHBondContact O-N 3.31Å; T1093-S1095 PolarHBondContact OG1-OG 2.87Å |
| 1096 | G | 38.6 | Very low | 43.9 | Very low | 74 Ų | 74 | 118.3 Ų | 118.3 | 76% | 0.763 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -77.1 | -19.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | T1093 L1094 | T1093-G1096 PolarHBondContact O-N 2.93Å; L1094-G1096 PolarHBondContact O-N 3.12Å |
| 1097 | L | 45.4 | Very low | 43.1 | Very low | 151 Ų | 151 | 117.5 Ų | 117.5 | 79% | 0.791 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -14.6 | -179.3 | -80.4 | 166.7 | 0 | 0 | 0 | 113.6 | L1094 | L1094-L1097 HydrophobicContact CD2-CD1 4.11Å; L1094-L1097 PolarHBondContact O-N 2.66Å |
| 1098 | T | 40.7 | Very low | 42.7 | Very low | 82 Ų | 82 | 119.7 Ų | 119.7 | 50% | 0.503 | 66% | 0.661 | S | S | . | * | | | trans | -128.5 | 97.7 | 174.9 | 55.3 | 0 | 0 | 0 | 0 | 109.5 | T1100 | T1098-T1100 PolarHBondContact O-N 3.07Š|
| 1099 | G | 38.5 | Very low | 42.1 | Very low | 90 Ų | 90 | 119.8 Ų | 119.8 | 93% | 0.928 | 66% | 0.662 | S | S | * | * | | | trans | -61.6 | -3.7 | 171 | 0 | 0 | 0 | 0 | 0 | 114.1 | H1101 | G1099-H1101 PolarHBondContact O-N 3.43Š|
| 1100 | T | 39.5 | Very low | 41.8 | Very low | 102 Ų | 102 | 122.6 Ų | 122.6 | 63% | 0.626 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -78.3 | 104.2 | 167.7 | 54.4 | 0 | 0 | 0 | 0 | 110.5 | T1098 | T1098-T1100 PolarHBondContact O-N 3.07Š|
| 1101 | H | 37 | Very low | 41.8 | Very low | 144 Ų | 144 | 124.5 Ų | 124.5 | 67% | 0.667 | 69% | 0.689 | S | S | * | * | | | trans | -43.3 | 135.1 | 162.9 | -169.1 | -93 | 0 | 0 | 0 | 110.4 | G1099 S1103 | G1099-H1101 PolarHBondContact O-N 3.43Å; H1101-S1103 WeakPolarHBondContact ND1-CB 3.31Å; H1101-S1103 PolarHBondContact ND1-OG 2.88Å; H1101-S1103 PolarHBondContact O-N 3.27Å |
| 1102 | P | 44.1 | Very low | 41.6 | Very low | 128 Ų | 128 | 119.8 Ų | 119.8 | 83% | 0.831 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 26.7 | -168.9 | 28.7 | -36.5 | 0 | 0 | 0 | 115.2 | | |
| 1103 | S | 41.1 | Very low | 41.6 | Very low | 82 Ų | 82 | 115.5 Ų | 115.5 | 57% | 0.573 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | 2.9 | -175.9 | 59.8 | 0 | 0 | 0 | 0 | 115.1 | H1101 | H1101-S1103 WeakPolarHBondContact ND1-CB 3.31Å; H1101-S1103 PolarHBondContact ND1-OG 2.88Å; H1101-S1103 PolarHBondContact O-N 3.27Å |
| 1104 | K | 40.8 | Very low | 41.4 | Very low | 181 Ų | 181 | 120.4 Ų | 120.4 | 79% | 0.787 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -110 | -9.4 | -178 | -72.2 | -167.5 | 176.2 | -175.1 | 0 | 116.5 | | |
| 1105 | H | 41.6 | Very low | 41.3 | Very low | 169 Ų | 169 | 121.1 Ų | 121.1 | 78% | 0.782 | 68% | 0.68 | S | S | * | * | | | trans | -119.9 | 69.2 | 168.7 | -68 | -78.6 | 0 | 0 | 0 | 110.9 | S1107 | H1105-S1107 PolarHBondContact O-N 3.38Š|
| 1106 | R | 36.5 | Very low | 41.9 | Very low | 206 Ų | 206 | 119.8 Ų | 119.8 | 78% | 0.777 | 68% | 0.68 | S | S | * | * | | | trans | -74.2 | 73.8 | 152.7 | -103.8 | -171.2 | 174.2 | -170.8 | -1.1 | 108.1 | M1110 | R1106-M1110 PolarHBondContact NH1-SD 3.29Å; R1106-M1110 VanDerWaalsContact NH1-SD 3.44Å |
| 1107 | S | 37.9 | Very low | 43.2 | Very low | 79 Ų | 79 | 123.4 Ų | 123.4 | 55% | 0.552 | 68% | 0.681 | S | S | * | * | | | trans | -55.2 | 144.3 | 161.1 | -57.4 | 0 | 0 | 0 | 0 | 108.3 | H1105 S1109 | H1105-S1107 PolarHBondContact O-N 3.38Å; S1107-S1109 PolarHBondContact O-N 3.43Å |
| 1108 | S | 42.4 | Very low | 42.9 | Very low | 124 Ų | 124 | 122.3 Ų | 122.3 | 87% | 0.867 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -70.9 | 13.3 | -164.1 | 59.5 | 0 | 0 | 0 | 0 | 116 | M1110 | S1108-M1110 PolarHBondContact O-N 2.88Š|
| 1109 | S | 37.8 | Very low | 43.1 | Very low | 75 Ų | 75 | 121.9 Ų | 121.9 | 52% | 0.524 | 67% | 0.671 | S | S | . | * | | | trans | -74.3 | 49 | 170.6 | 65 | 0 | 0 | 0 | 0 | 112.4 | S1107 N1111 | S1107-S1109 PolarHBondContact O-N 3.43Å; S1109-N1111 PolarHBondContact O-N 2.93Å |
| 1110 | M | 41.7 | Very low | 43.4 | Very low | 112 Ų | 112 | 120.2 Ų | 120.2 | 55% | 0.552 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -5.9 | 180 | -85.2 | -144.1 | 63.6 | 0 | 0 | 114.5 | R1106 S1108 | R1106-M1110 PolarHBondContact NH1-SD 3.29Å; R1106-M1110 VanDerWaalsContact NH1-SD 3.44Å; S1108-M1110 PolarHBondContact O-N 2.88Å |
| 1111 | N | 46 | Very low | 43.9 | Very low | 164 Ų | 164 | 118.7 Ų | 118.7 | 88% | 0.877 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | 1.8 | -178.9 | -79.9 | -2.5 | 0 | 0 | 0 | 114.8 | S1109 | S1109-N1111 PolarHBondContact O-N 2.93Š|
| 1112 | T | 42.3 | Very low | 44.6 | Very low | 54 Ų | 54 | 115 Ų | 115 | 33% | 0.331 | 63% | 0.625 | S | S | . | * | | | trans | -109.7 | 96.4 | 179.4 | -38.7 | 0 | 0 | 0 | 0 | 109.4 | W1114 P1119 | T1112-W1114 PolarHBondContact O-N 3.47Å; T1112-P1119 HydrophobicContact CG2-CB 3.33Å |
| 1113 | L | 45.6 | Very low | 45.2 | Very low | 129 Ų | 129 | 117.5 Ų | 117.5 | 68% | 0.675 | 63% | 0.625 | S | S | * | * | | | trans | -62.2 | 134.2 | 161.2 | -115.2 | 70.6 | 0 | 0 | 0 | 107.7 | V1120 | L1113-V1120 HydrophobicContact CB-CG2 3.98Å; L1113-V1120 WeakPolarHBondContact O-CB 3.4Å; L1113-V1120 WeakPolarHBondContact O-CG2 3.39Å; L1113-V1120 PolarHBondContact O-N 2.83Å |
| 1114 | W | 41.3 | Very low | 45.8 | Very low | 164 Ų | 164 | 125.4 Ų | 125.4 | 62% | 0.621 | 64% | 0.643 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.6 | 129.2 | 177.4 | -71.3 | 70.3 | 0 | 0 | 0 | 109.5 | T1112 | T1112-W1114 PolarHBondContact O-N 3.47Å |
| 1115 | F | 40.1 | Very low | 46.3 | Very low | 148 Ų | 148 | 121 Ų | 121 | 65% | 0.649 | 63% | 0.631 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.9 | 90.9 | 165.7 | -81.7 | -61.6 | 0 | 0 | 0 | 108.4 | H1118 V1120 | F1115-H1118 PolarHBondContact N-O 3.14Å; F1115-V1120 HydrophobicContact CD2-CG2 3.36Å; F1115-V1120 HydrophobicContact CE2-CG2 3.59Å; F1115-V1120 HydrophobicContact CG-CG2 4.41Å |
| 1116 | G | 61.3 | Low | 46.5 | Very low | 58 Ų | 58 | 116.7 Ų | 116.7 | 60% | 0.598 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.5 | -140.4 | -169.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | H1118 | G1116-H1118 PolarHBondContact O-N 2.88Å; G1116-H1118 VanDerWaalsContact O-N 3.16Å |
| 1117 | D | 65.5 | Low | 46.9 | Very low | 149 Ų | 149 | 109.9 Ų | 109.9 | 80% | 0.797 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | 14 | -176.7 | -56.3 | -33.4 | 0 | 0 | 0 | 113.7 | | |
| 1118 | H | 38.4 | Very low | 47.7 | Very low | 129 Ų | 129 | 112.8 Ų | 112.8 | 60% | 0.597 | 61% | 0.614 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -123.5 | 134.9 | 179.7 | -63.7 | -30.3 | 0 | 0 | 0 | 112 | F1115 G1116 | F1115-H1118 PolarHBondContact N-O 3.14Å; G1116-H1118 PolarHBondContact O-N 2.88Å; G1116-H1118 VanDerWaalsContact O-N 3.16Å |
| 1119 | P | 46.6 | Very low | 48.1 | Very low | 73 Ų | 73 | 111 Ų | 111 | 47% | 0.474 | 61% | 0.607 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -67 | 141.9 | 171.8 | 29.8 | -34.8 | 0 | 0 | 0 | 110.2 | T1112 P1121 | T1112-P1119 HydrophobicContact CG2-CB 3.33Å; P1119-P1121 WeakPolarHBondContact O-CD 3.5Å |
| 1120 | V | 44.5 | Very low | 48.8 | Very low | 54 Ų | 54 | 111.1 Ų | 111.1 | 33% | 0.327 | 60% | 0.604 | S | S | . | * | P | Polyproline II helix | trans | -56.1 | 125.9 | 165.9 | 164.9 | 0 | 0 | 0 | 0 | 109 | L1113 F1115 S1122 | L1113-V1120 HydrophobicContact CB-CG2 3.98Å; L1113-V1120 WeakPolarHBondContact O-CB 3.4Å; L1113-V1120 WeakPolarHBondContact O-CG2 3.39Å; L1113-V1120 PolarHBondContact O-N 2.83Å; F1115-V1120 HydrophobicContact CD2-CG2 3.36Å; F1115-V1120 HydrophobicContact CE2-CG2 3.59Å; F1115-V1120 HydrophobicContact CG-CG2 4.41Å; V1120-S1122 PolarHBondContact O-N 3.48Å |
| 1121 | P | 49.7 | Very low | 49.4 | Very low | 71 Ų | 71 | 111.2 Ų | 111.2 | 46% | 0.461 | 61% | 0.614 | S | S | . | * | P | Polyproline II helix | trans | -59 | 124.8 | 171.7 | -22.6 | 33.4 | 0 | 0 | 0 | 110.1 | P1119 L1126 | P1119-P1121 WeakPolarHBondContact O-CD 3.5Å; P1121-L1126 HydrophobicContact CB-CD2 4.05Å; P1121-L1126 HydrophobicContact CB-CG 4.33Å |
| 1122 | S | 51.6 | Low | 50.1 | Low | 67 Ų | 67 | 108.1 Ų | 108.1 | 47% | 0.469 | 60% | 0.601 | S | S | . | * | P | Polyproline II helix | trans | -58.5 | 153.9 | 171.7 | 74.2 | 0 | 0 | 0 | 0 | 111 | V1120 R1124 T1125 L1126 | V1120-S1122 PolarHBondContact O-N 3.48Å; S1122-R1124 PolarHBondContact O-N 3.15Å; S1122-R1124 VanDerWaalsContact O-N 3.16Å; S1122-T1125 PolarHBondContact N-OG1 2.8Å; S1122-T1125 PolarHBondContact O-N 2.62Å; S1122-T1125 PolarHBondContact O-OG1 2.9Å; S1122-T1125 PolarHBondContact OG-N 2.95Å; S1122-T1125 PolarHBondContact OG-OG1 3.36Å; S1122-L1126 PolarHBondContact O-N 3.06Å |
| 1123 | E | 57 | Low | 51.3 | Low | 180 Ų | 180 | 117.1 Ų | 117.1 | 84% | 0.841 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -58.4 | -31 | 178.2 | -64.2 | 179.8 | 166.4 | 0 | 0 | 112.4 | T1125 L1126 | E1123-T1125 VanDerWaalsContact C-N 3.27Å; E1123-T1125 PolarHBondContact O-N 3.07Å; E1123-L1126 PolarHBondContact O-N 3.08Å |
| 1124 | R | 53.9 | Low | 52.5 | Low | 247 Ų | 247 | 114.2 Ų | 114.2 | 93% | 0.932 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -66.9 | -21.6 | 173.2 | -81.7 | -173.5 | 171.4 | -178.6 | -3.4 | 114.7 | S1122 | S1122-R1124 PolarHBondContact O-N 3.15Å; S1122-R1124 VanDerWaalsContact O-N 3.16Å |
| 1125 | T | 51.3 | Low | 54.3 | Low | 88 Ų | 88 | 108.7 Ų | 108.7 | 54% | 0.54 | 60% | 0.599 | S | S | . | * | G | 310 helix | trans | -90.1 | -10.2 | 175 | 29.4 | 0 | 0 | 0 | 0 | 113.3 | S1122 E1123 S1127 | S1122-T1125 PolarHBondContact N-OG1 2.8Å; S1122-T1125 PolarHBondContact O-N 2.62Å; S1122-T1125 PolarHBondContact O-OG1 2.9Å; S1122-T1125 PolarHBondContact OG-N 2.95Å; S1122-T1125 PolarHBondContact OG-OG1 3.36Å; E1123-T1125 VanDerWaalsContact C-N 3.27Å; E1123-T1125 PolarHBondContact O-N 3.07Å; T1125-S1127 VanDerWaalsContact C-N 3.34Å; T1125-S1127 PolarHBondContact O-N 3.37Å |
| 1126 | L | 45.4 | Very low | 56.3 | Low | 80 Ų | 80 | 107.6 Ų | 107.6 | 42% | 0.419 | 60% | 0.6 | S | S | . | * | | | trans | -90.3 | 70.6 | 176.4 | -64.6 | 176.1 | 0 | 0 | 0 | 110.1 | P1121 S1122 E1123 V1132 | P1121-L1126 HydrophobicContact CB-CD2 4.05Å; P1121-L1126 HydrophobicContact CB-CG 4.33Å; S1122-L1126 PolarHBondContact O-N 3.06Å; E1123-L1126 PolarHBondContact O-N 3.08Å; L1126-V1132 HydrophobicContact CD2-CG2 4.06Å |
| 1127 | S | 44.4 | Very low | 57.2 | Low | 63 Ų | 63 | 111.1 Ų | 111.1 | 44% | 0.441 | 60% | 0.604 | S | S | . | * | | | trans | -57.8 | 130.1 | 160.7 | 176.2 | 0 | 0 | 0 | 0 | 108.3 | T1125 A1129 T1130 | T1125-S1127 VanDerWaalsContact C-N 3.34Å; T1125-S1127 PolarHBondContact O-N 3.37Å; S1127-A1129 PolarHBondContact O-N 2.9Å; S1127-T1130 PolarHBondContact O-N 3.22Å; S1127-T1130 PolarHBondContact O-OG1 3.47Å |
| 1128 | P | 54.6 | Low | 57.9 | Low | 139 Ų | 139 | 108.3 Ų | 108.3 | 90% | 0.903 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | -17.2 | 179.3 | -27.1 | 35.3 | 0 | 0 | 0 | 114.3 | | |
| 1129 | A | 51.5 | Low | 59.8 | Low | 86 Ų | 86 | 106.4 Ų | 106.4 | 71% | 0.711 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -15.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S1127 P1131 | S1127-A1129 PolarHBondContact O-N 2.9Å; A1129-P1131 VanDerWaalsContact O-CD 3.29Å; A1129-P1131 WeakPolarHBondContact O-CD 3.42Å |
| 1130 | T | 53.2 | Low | 61.4 | Low | 78 Ų | 78 | 109.2 Ų | 109.2 | 48% | 0.479 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -95.6 | 107.3 | -179.5 | 49 | 0 | 0 | 0 | 0 | 111.2 | S1127 V1132 | S1127-T1130 PolarHBondContact O-N 3.22Å; S1127-T1130 PolarHBondContact O-OG1 3.47Å; T1130-V1132 PolarHBondContact O-N 3.43Å |
| 1131 | P | 52.5 | Low | 63.1 | Low | 115 Ų | 115 | 109.1 Ų | 109.1 | 75% | 0.747 | 59% | 0.591 | S | S | * | * | | | trans | -63.6 | 128.7 | 175.3 | 26.1 | -33.5 | 0 | 0 | 0 | 109.9 | A1129 R1133 | A1129-P1131 VanDerWaalsContact O-CD 3.29Å; A1129-P1131 WeakPolarHBondContact O-CD 3.42Å; P1131-R1133 PolarHBondContact O-N 2.79Å |
| 1132 | V | 61 | Low | 64.4 | Low | 99 Ų | 99 | 110.3 Ų | 110.3 | 60% | 0.6 | 59% | 0.591 | S | S | * | * | | | trans | -58.8 | 108.8 | 176.7 | 178.8 | 0 | 0 | 0 | 0 | 108.6 | L1126 T1130 L1134 | L1126-V1132 HydrophobicContact CD2-CG2 4.06Å; T1130-V1132 PolarHBondContact O-N 3.43Å; V1132-L1134 HydrophobicContact CG1-CD2 4.5Å; V1132-L1134 PolarHBondContact O-N 2.81Å |
| 1133 | R | 67.6 | Low | 65.6 | Low | 243 Ų | 243 | 108.8 Ų | 108.8 | 92% | 0.917 | 58% | 0.582 | S | S | * | * | | | trans | -69.4 | 93.5 | 175.3 | -83.5 | -177.1 | 143.5 | 134.1 | -4.9 | 109.3 | P1131 | P1131-R1133 PolarHBondContact O-N 2.79Š|
| 1134 | L | 72.4 | Confident | 66.6 | Low | 68 Ų | 68 | 103.2 Ų | 103.2 | 36% | 0.356 | 56% | 0.556 | S | S | . | * | | | trans | -58.4 | 137.4 | 167.4 | -63.2 | -179.3 | 0 | 0 | 0 | 109.6 | V1132 Q1138 I1139 | V1132-L1134 HydrophobicContact CG1-CD2 4.5Å; V1132-L1134 PolarHBondContact O-N 2.81Å; L1134-Q1138 HydrophobicContact CB-CB 4.03Å; L1134-Q1138 HydrophobicContact CD2-CB 4.28Å; L1134-I1139 HydrophobicContact CB-CD1 4.35Å; L1134-I1139 HydrophobicContact CB-CG1 3.77Å; L1134-I1139 HydrophobicContact CD1-CG1 4.45Å |
| 1135 | S | 79 | Confident | 67.4 | Low | 47 Ų | 47 | 96 Ų | 96 | 33% | 0.329 | 54% | 0.535 | S | S | . | . | | | trans | -63.6 | 156.4 | 169.4 | 63.4 | 0 | 0 | 0 | 0 | 110.9 | I1137 Q1138 I1139 | S1135-I1137 PolarHBondContact O-N 3.27Å; S1135-I1137 VanDerWaalsContact O-N 3.09Å; S1135-Q1138 WeakPolarHBondContact O-CB 3.34Å; S1135-Q1138 PolarHBondContact O-N 3.23Å; S1135-Q1138 WeakPolarHBondContact OG-CG 3.4Å; S1135-Q1138 PolarHBondContact OG-N 3.37Å; S1135-Q1138 PolarHBondContact OG-OE1 3.5Å; S1135-I1139 PolarHBondContact O-N 3.39Å |
| 1136 | N | 80.5 | Confident | 68.6 | Low | 126 Ų | 126 | 95.9 Ų | 95.9 | 67% | 0.674 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -54.1 | -33.6 | 177.7 | -70.3 | -15.3 | 0 | 0 | 0 | 112.7 | I1139 Q1140 | N1136-I1139 PolarHBondContact O-N 3.24Å; N1136-Q1140 WeakPolarHBondContact O-CB 3.47Å; N1136-Q1140 VanDerWaalsContact O-CG 3.3Å; N1136-Q1140 WeakPolarHBondContact O-CG 3.4Å; N1136-Q1140 PolarHBondContact O-N 3.11Å |
| 1137 | I | 80.6 | Confident | 69.6 | Low | 131 Ų | 131 | 98.6 Ų | 98.6 | 67% | 0.672 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.8 | -41.9 | 176.6 | -64.7 | 169.6 | 0 | 0 | 0 | 111.2 | S1135 Q1140 A1141 | S1135-I1137 PolarHBondContact O-N 3.27Å; S1135-I1137 VanDerWaalsContact O-N 3.09Å; I1137-Q1140 PolarHBondContact O-N 2.97Å; I1137-A1141 WeakPolarHBondContact O-CB 3.4Å; I1137-A1141 PolarHBondContact O-N 3.26Å |
| 1138 | Q | 79.8 | Confident | 70.7 | Confident | 90 Ų | 90 | 103 Ų | 103 | 42% | 0.421 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.7 | -41.3 | 175.8 | -74.1 | 163.4 | -47.4 | 0 | 0 | 111.5 | L1134 S1135 A1141 Q1142 | L1134-Q1138 HydrophobicContact CB-CB 4.03Å; L1134-Q1138 HydrophobicContact CD2-CB 4.28Å; S1135-Q1138 WeakPolarHBondContact O-CB 3.34Å; S1135-Q1138 PolarHBondContact O-N 3.23Å; S1135-Q1138 WeakPolarHBondContact OG-CG 3.4Å; S1135-Q1138 PolarHBondContact OG-N 3.37Å; S1135-Q1138 PolarHBondContact OG-OE1 3.5Å; Q1138-A1141 PolarHBondContact O-N 2.75Å; Q1138-Q1142 WeakPolarHBondContact O-CB 3.38Å; Q1138-Q1142 PolarHBondContact O-N 2.76Å |
| 1139 | I | 78.3 | Confident | 71 | Confident | 89 Ų | 89 | 103.2 Ų | 103.2 | 46% | 0.456 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 175.5 | -62.3 | 170.7 | 0 | 0 | 0 | 110.5 | L1134 S1135 N1136 Q1142 A1143 | L1134-I1139 HydrophobicContact CB-CD1 4.35Å; L1134-I1139 HydrophobicContact CB-CG1 3.77Å; L1134-I1139 HydrophobicContact CD1-CG1 4.45Å; S1135-I1139 PolarHBondContact O-N 3.39Å; N1136-I1139 PolarHBondContact O-N 3.24Å; I1139-Q1142 PolarHBondContact O-N 2.93Å; I1139-A1143 VanDerWaalsContact O-CB 3.31Å; I1139-A1143 WeakPolarHBondContact O-CB 3.29Å; I1139-A1143 PolarHBondContact O-N 3.43Å |
| 1140 | Q | 80 | Confident | 71.3 | Confident | 133 Ų | 133 | 108.9 Ų | 108.9 | 62% | 0.621 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.2 | -42.3 | 175.9 | -75.6 | 176.7 | 2.5 | 0 | 0 | 112.6 | N1136 I1137 A1143 E1144 | N1136-Q1140 WeakPolarHBondContact O-CB 3.47Å; N1136-Q1140 VanDerWaalsContact O-CG 3.3Å; N1136-Q1140 WeakPolarHBondContact O-CG 3.4Å; N1136-Q1140 PolarHBondContact O-N 3.11Å; I1137-Q1140 PolarHBondContact O-N 2.97Å; Q1140-A1143 PolarHBondContact O-N 2.69Å; Q1140-E1144 VanDerWaalsContact O-CB 3.27Å; Q1140-E1144 WeakPolarHBondContact O-CB 3.47Å; Q1140-E1144 PolarHBondContact O-N 3.48Å |
| 1141 | A | 81.1 | Confident | 71.1 | Confident | 52 Ų | 52 | 109 Ų | 109 | 43% | 0.43 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1137 Q1138 E1144 L1145 | I1137-A1141 WeakPolarHBondContact O-CB 3.4Å; I1137-A1141 PolarHBondContact O-N 3.26Å; Q1138-A1141 PolarHBondContact O-N 2.75Å; A1141-E1144 PolarHBondContact O-N 2.94Å; A1141-L1145 WeakPolarHBondContact O-CG 3.22Å; A1141-L1145 PolarHBondContact O-N 3.01Å |
| 1142 | Q | 76.4 | Confident | 70.8 | Confident | 96 Ų | 96 | 107.8 Ų | 107.8 | 45% | 0.449 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67 | -45.7 | 176 | -172.5 | 178.9 | -29.3 | 0 | 0 | 111.4 | Q1138 I1139 E1144 L1145 E1146 | Q1138-Q1142 WeakPolarHBondContact O-CB 3.38Å; Q1138-Q1142 PolarHBondContact O-N 2.76Å; I1139-Q1142 PolarHBondContact O-N 2.93Å; Q1142-E1144 PolarHBondContact O-N 2.97Å; Q1142-L1145 PolarHBondContact O-N 2.86Å; Q1142-E1146 PolarHBondContact NE2-OE1 3.04Å; Q1142-E1146 WeakPolarHBondContact O-CG 3.09Å; Q1142-E1146 PolarHBondContact O-N 3.06Å |
| 1143 | A | 77.2 | Confident | 70.1 | Confident | 35 Ų | 35 | 108.6 Ų | 108.6 | 29% | 0.289 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.5 | -33 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1139 Q1140 R1147 | I1139-A1143 VanDerWaalsContact O-CB 3.31Å; I1139-A1143 WeakPolarHBondContact O-CB 3.29Å; I1139-A1143 PolarHBondContact O-N 3.43Å; Q1140-A1143 PolarHBondContact O-N 2.69Å; A1143-R1147 WeakPolarHBondContact O-CG 3.49Å; A1143-R1147 PolarHBondContact O-N 3.16Å |
| 1144 | E | 78.9 | Confident | 68.9 | Low | 63 Ų | 63 | 104.4 Ų | 104.4 | 29% | 0.294 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -71.6 | -40.4 | 174.7 | 178.2 | 57.2 | -162.8 | 0 | 0 | 112.8 | Q1140 A1141 Q1142 R1147 R1148 | Q1140-E1144 VanDerWaalsContact O-CB 3.27Å; Q1140-E1144 WeakPolarHBondContact O-CB 3.47Å; Q1140-E1144 PolarHBondContact O-N 3.48Å; A1141-E1144 PolarHBondContact O-N 2.94Å; Q1142-E1144 PolarHBondContact O-N 2.97Å; E1144-R1147 PolarHBondContact O-N 2.96Å; E1144-R1147 IonicContact OE2-CZ 3.36Å; E1144-R1147 VanDerWaalsContact OE2-CZ 3.29Å; E1144-R1147 IonicContact OE2-NE 3.75Å; E1144-R1147 PolarHBondContact OE2-NE 3.49Å; E1144-R1147 IonicContact OE2-NH2 3.97Å; E1144-R1147 PolarHBondContact OE2-NH2 3.33Å; E1144-R1148 VanDerWaalsContact O-CG 3.3Å; E1144-R1148 WeakPolarHBondContact O-CG 3.48Å; E1144-R1148 PolarHBondContact O-N 2.72Å; E1144-R1148 IonicContact OE1-CZ 3.74Å; E1144-R1148 VanDerWaalsContact OE1-CZ 3.25Å; E1144-R1148 IonicContact OE1-NE 2.62Å; E1144-R1148 PolarHBondContact OE1-NE 3.34Å; E1144-R1148 IonicContact OE1-NH2 3.81Å; E1144-R1148 PolarHBondContact OE1-NH2 3.12Å |
| 1145 | L | 69.5 | Low | 67.4 | Low | 94 Ų | 94 | 103.8 Ų | 103.8 | 49% | 0.492 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.4 | -44.2 | 171.3 | -71 | 171.6 | 0 | 0 | 0 | 111.2 | A1141 Q1142 R1147 R1148 H1149 | A1141-L1145 WeakPolarHBondContact O-CG 3.22Å; A1141-L1145 PolarHBondContact O-N 3.01Å; Q1142-L1145 PolarHBondContact O-N 2.86Å; L1145-R1147 PolarHBondContact O-N 3.26Å; L1145-R1148 WeakPolarHBondContact O-CB 3.17Å; L1145-R1148 PolarHBondContact O-N 2.8Å; L1145-R1148 VanDerWaalsContact O-N 3.15Å; L1145-H1149 PolarHBondContact O-CD2 3.45Å; L1145-H1149 PolarHBondContact O-N 3.21Å |
| 1146 | E | 75.8 | Confident | 65.4 | Low | 86 Ų | 86 | 108.8 Ų | 108.8 | 40% | 0.402 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.7 | -39.4 | 176.7 | -73.3 | 179.1 | -153.7 | 0 | 0 | 112.3 | Q1142 H1149 R1150 | Q1142-E1146 PolarHBondContact NE2-OE1 3.04Å; Q1142-E1146 WeakPolarHBondContact O-CG 3.09Å; Q1142-E1146 PolarHBondContact O-N 3.06Å; E1146-H1149 PolarHBondContact O-N 3.21Å; E1146-R1150 WeakPolarHBondContact O-CB 3.37Å; E1146-R1150 WeakPolarHBondContact O-CG 3.22Å; E1146-R1150 PolarHBondContact O-N 2.89Å |
| 1147 | R | 68 | Low | 63.5 | Low | 137 Ų | 137 | 106.7 Ų | 106.7 | 52% | 0.517 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -58.1 | -47.8 | 170.3 | -81.1 | -172.3 | -65.2 | -94.9 | 3.8 | 111.5 | A1143 E1144 L1145 H1149 R1150 S1151 | A1143-R1147 WeakPolarHBondContact O-CG 3.49Å; A1143-R1147 PolarHBondContact O-N 3.16Å; E1144-R1147 PolarHBondContact O-N 2.96Å; E1144-R1147 IonicContact OE2-CZ 3.36Å; E1144-R1147 VanDerWaalsContact OE2-CZ 3.29Å; E1144-R1147 IonicContact OE2-NE 3.75Å; E1144-R1147 PolarHBondContact OE2-NE 3.49Å; E1144-R1147 IonicContact OE2-NH2 3.97Å; E1144-R1147 PolarHBondContact OE2-NH2 3.33Å; L1145-R1147 PolarHBondContact O-N 3.26Å; R1147-H1149 PolarHBondContact O-N 2.79Å; R1147-R1150 PolarHBondContact O-N 3Å; R1147-S1151 WeakPolarHBondContact O-CB 3.47Å; R1147-S1151 PolarHBondContact O-N 3.22Å; R1147-S1151 PolarHBondContact O-OG 3.25Å; R1147-S1151 VanDerWaalsContact O-OG 3.08Å |
| 1148 | R | 66.6 | Low | 61.8 | Low | 157 Ų | 157 | 108.1 Ų | 108.1 | 59% | 0.592 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -60.9 | -43 | 179.1 | -69.8 | 167.3 | -171.2 | -150.1 | 0.6 | 112.4 | E1144 L1145 S1151 S1152 | E1144-R1148 VanDerWaalsContact O-CG 3.3Å; E1144-R1148 WeakPolarHBondContact O-CG 3.48Å; E1144-R1148 PolarHBondContact O-N 2.72Å; E1144-R1148 IonicContact OE1-CZ 3.74Å; E1144-R1148 VanDerWaalsContact OE1-CZ 3.25Å; E1144-R1148 IonicContact OE1-NE 2.62Å; E1144-R1148 PolarHBondContact OE1-NE 3.34Å; E1144-R1148 IonicContact OE1-NH2 3.81Å; E1144-R1148 PolarHBondContact OE1-NH2 3.12Å; L1145-R1148 WeakPolarHBondContact O-CB 3.17Å; L1145-R1148 PolarHBondContact O-N 2.8Å; L1145-R1148 VanDerWaalsContact O-N 3.15Å; R1148-S1151 PolarHBondContact O-N 3.13Å; R1148-S1152 PolarHBondContact O-N 3.08Å |
| 1149 | H | 61.1 | Low | 60.1 | Low | 142 Ų | 142 | 110 Ų | 110 | 66% | 0.657 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.5 | -38.8 | 176.9 | -69.4 | -58.9 | 0 | 0 | 0 | 112.5 | L1145 E1146 R1147 S1151 S1152 | L1145-H1149 PolarHBondContact O-CD2 3.45Å; L1145-H1149 PolarHBondContact O-N 3.21Å; E1146-H1149 PolarHBondContact O-N 3.21Å; R1147-H1149 PolarHBondContact O-N 2.79Å; H1149-S1151 VanDerWaalsContact C-N 3.32Å; H1149-S1151 PolarHBondContact O-N 2.72Å; H1149-S1152 VanDerWaalsContact O-CB 3.24Å; H1149-S1152 WeakPolarHBondContact O-CB 3.35Å; H1149-S1152 PolarHBondContact O-N 3.43Å |
| 1150 | R | 57.9 | Low | 58.3 | Low | 205 Ų | 205 | 114.9 Ų | 114.9 | 77% | 0.774 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -69.9 | -25.7 | 175.1 | -70.7 | 180 | -174.4 | -146.7 | 4.2 | 113.4 | E1146 R1147 S1152 | E1146-R1150 WeakPolarHBondContact O-CB 3.37Å; E1146-R1150 WeakPolarHBondContact O-CG 3.22Å; E1146-R1150 PolarHBondContact O-N 2.89Å; R1147-R1150 PolarHBondContact O-N 3Å; R1150-S1152 VanDerWaalsContact C-N 3.32Å |
| 1151 | S | 48 | Very low | 56.2 | Low | 82 Ų | 82 | 117 Ų | 117 | 57% | 0.573 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | 5.6 | 175 | -59.4 | 0 | 0 | 0 | 0 | 114.4 | R1147 R1148 H1149 S1153 | R1147-S1151 WeakPolarHBondContact O-CB 3.47Å; R1147-S1151 PolarHBondContact O-N 3.22Å; R1147-S1151 PolarHBondContact O-OG 3.25Å; R1147-S1151 VanDerWaalsContact O-OG 3.08Å; R1148-S1151 PolarHBondContact O-N 3.13Å; H1149-S1151 VanDerWaalsContact C-N 3.32Å; H1149-S1151 PolarHBondContact O-N 2.72Å; S1151-S1153 PolarHBondContact O-N 3.17Å |
| 1152 | S | 47.2 | Very low | 54.1 | Low | 88 Ų | 88 | 118.3 Ų | 118.3 | 62% | 0.615 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | 1.9 | -176.1 | -170 | 0 | 0 | 0 | 0 | 115.2 | R1148 H1149 R1150 | R1148-S1152 PolarHBondContact O-N 3.08Å; H1149-S1152 VanDerWaalsContact O-CB 3.24Å; H1149-S1152 WeakPolarHBondContact O-CB 3.35Å; H1149-S1152 PolarHBondContact O-N 3.43Å; R1150-S1152 VanDerWaalsContact C-N 3.32Å |
| 1153 | S | 45.3 | Very low | 52.2 | Low | 117 Ų | 117 | 119.6 Ų | 119.6 | 82% | 0.818 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | 2.2 | -179.8 | 65.4 | 0 | 0 | 0 | 0 | 114.6 | S1151 | S1151-S1153 PolarHBondContact O-N 3.17Š|
| 1154 | H | 43.3 | Very low | 50.1 | Low | 154 Ų | 154 | 128.4 Ų | 128.4 | 71% | 0.713 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -132.4 | 119.2 | 172.3 | -157.5 | 71 | 0 | 0 | 0 | 109.7 | H1156 | H1154-H1156 PolarHBondContact O-N 2.89Š|
| 1155 | G | 40.5 | Very low | 47.8 | Very low | 55 Ų | 55 | 130 Ų | 130 | 57% | 0.567 | 66% | 0.66 | S | S | * | * | | | trans | -54.6 | 138.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1156 | H | 36.6 | Very low | 46 | Very low | 153 Ų | 153 | 132.4 Ų | 132.4 | 71% | 0.708 | 68% | 0.679 | S | S | * | * | | | trans | -54.9 | 143.1 | 171.9 | -58.3 | -57.6 | 0 | 0 | 0 | 109.6 | H1154 L1158 D1159 | H1154-H1156 PolarHBondContact O-N 2.89Å; H1156-L1158 PolarHBondContact O-N 3.14Å; H1156-D1159 PolarHBondContact O-N 3.15Å |
| 1157 | S | 41.6 | Very low | 43.6 | Very low | 82 Ų | 82 | 130.5 Ų | 130.5 | 57% | 0.573 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | 6.5 | -170.8 | 57.7 | 0 | 0 | 0 | 0 | 116 | | |
| 1158 | L | 45.6 | Very low | 41.8 | Very low | 160 Ų | 160 | 132 Ų | 132 | 84% | 0.838 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -22 | 172.6 | -59.9 | 178.4 | 0 | 0 | 0 | 113 | H1156 R1160 | H1156-L1158 PolarHBondContact O-N 3.14Å; L1158-R1160 PolarHBondContact O-N 2.75Å |
| 1159 | D | 44 | Very low | 40.3 | Very low | 131 Ų | 131 | 130.5 Ų | 130.5 | 70% | 0.701 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -76.3 | -4.7 | 173.4 | -90.6 | -27.5 | 0 | 0 | 0 | 113.2 | H1156 K1161 | H1156-D1159 PolarHBondContact O-N 3.15Å; D1159-K1161 PolarHBondContact O-N 2.84Å |
| 1160 | R | 39.5 | Very low | 38.8 | Very low | 191 Ų | 191 | 129.8 Ų | 129.8 | 72% | 0.721 | 70% | 0.703 | S | S | * | * | | | trans | -71.9 | 73.8 | 161.9 | -72.6 | -165.6 | -75.5 | -131.5 | 2.9 | 109.9 | L1158 S1162 | L1158-R1160 PolarHBondContact O-N 2.75Å; R1160-S1162 PolarHBondContact O-N 2.94Å; R1160-S1162 VanDerWaalsContact O-N 3.15Å |
| 1161 | K | 36.1 | Very low | 37.4 | Very low | 178 Ų | 178 | 124.5 Ų | 124.5 | 77% | 0.774 | 70% | 0.697 | S | S | * | * | | | trans | -42.9 | 119.5 | 155.7 | -66.1 | 170.4 | 177.1 | 175.9 | 0 | 107.4 | D1159 V1163 | D1159-K1161 PolarHBondContact O-N 2.84Å; K1161-V1163 PolarHBondContact O-N 2.75Å |
| 1162 | S | 36.4 | Very low | 36.5 | Very low | 79 Ų | 79 | 127.9 Ų | 127.9 | 55% | 0.552 | 70% | 0.704 | S | S | * | * | | | trans | -61.2 | 107.9 | 175.3 | -176.9 | 0 | 0 | 0 | 0 | 108.5 | R1160 Y1164 S1165 | R1160-S1162 PolarHBondContact O-N 2.94Å; R1160-S1162 VanDerWaalsContact O-N 3.15Å; S1162-Y1164 PolarHBondContact O-N 2.75Å; S1162-Y1164 PolarHBondContact OG-N 3.19Å; S1162-Y1164 PolarHBondContact OG-O 2.82Å; S1162-S1165 PolarHBondContact O-N 3.03Å |
| 1163 | V | 38 | Very low | 36.1 | Very low | 122 Ų | 122 | 131.2 Ų | 131.2 | 74% | 0.739 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -66.6 | -20.3 | 173.5 | -170 | 0 | 0 | 0 | 0 | 109.9 | K1161 S1165 T1166 | K1161-V1163 PolarHBondContact O-N 2.75Å; V1163-S1165 PolarHBondContact O-N 3.34Å; V1163-T1166 PolarHBondContact O-OG1 3.48Å |
| 1164 | Y | 32.7 | Very low | 35.5 | Very low | 220 Ų | 220 | 130.7 Ų | 130.7 | 86% | 0.863 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | 61.7 | 164.8 | -54.6 | -75.7 | 0 | 0 | 0 | 111.2 | S1162 | S1162-Y1164 PolarHBondContact O-N 2.75Å; S1162-Y1164 PolarHBondContact OG-N 3.19Å; S1162-Y1164 PolarHBondContact OG-O 2.82Å |
| 1165 | S | 31.1 | Very low | 34.8 | Very low | 97 Ų | 97 | 133.6 Ų | 133.6 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151.2 | 20.3 | 161.4 | -163.4 | 0 | 0 | 0 | 0 | 113 | S1162 V1163 G1167 | S1162-S1165 PolarHBondContact O-N 3.03Å; V1163-S1165 PolarHBondContact O-N 3.34Å; S1165-G1167 PolarHBondContact O-N 3.15Å |
| 1166 | T | 30.7 | Very low | 34.1 | Very low | 145 Ų | 145 | 133.4 Ų | 133.4 | 89% | 0.89 | 72% | 0.719 | S | S | * | * | | | trans | -75.2 | 52.1 | 154.8 | 29.2 | 0 | 0 | 0 | 0 | 110.5 | V1163 | V1163-T1166 PolarHBondContact O-OG1 3.48Š|
| 1167 | G | 26.2 | Very low | 33.8 | Very low | 45 Ų | 45 | 134.3 Ų | 134.3 | 46% | 0.464 | 73% | 0.728 | S | S | . | * | | | trans | -116.5 | 111.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | S1165 T1169 | S1165-G1167 PolarHBondContact O-N 3.15Å; G1167-T1169 PolarHBondContact O-N 3.05Å |
| 1168 | M | 30.1 | Very low | 33.3 | Very low | 170 Ų | 170 | 134.5 Ų | 134.5 | 84% | 0.837 | 73% | 0.729 | S | S | * | * | | | trans | -71.4 | 65.3 | 168.8 | -68.9 | 174.9 | 61.5 | 0 | 0 | 109.5 | E1170 | M1168-E1170 PolarHBondContact O-N 3.42Š|
| 1169 | T | 34.3 | Very low | 32.7 | Very low | 125 Ų | 125 | 134.4 Ų | 134.4 | 77% | 0.767 | 73% | 0.73 | S | S | * | * | | | trans | -79.1 | 77.7 | 159.1 | 58 | 0 | 0 | 0 | 0 | 106.7 | G1167 S1171 | G1167-T1169 PolarHBondContact O-N 3.05Å; T1169-S1171 PolarHBondContact O-N 3.32Å |
| 1170 | E | 29.4 | Very low | 31.9 | Very low | 126 Ų | 126 | 138 Ų | 138 | 59% | 0.589 | 74% | 0.735 | S | S | * | * | | | trans | -56.4 | 91 | 149.3 | -70.3 | -178.1 | -158.5 | 0 | 0 | 105.7 | M1168 H1172 | M1168-E1170 PolarHBondContact O-N 3.42Å; E1170-H1172 PolarHBondContact O-CD2 2.96Å; E1170-H1172 VanDerWaalsContact O-CD2 3.23Å; E1170-H1172 PolarHBondContact O-N 3.12Å |
| 1171 | S | 28.7 | Very low | 31.7 | Very low | 95 Ų | 95 | 136.9 Ų | 136.9 | 66% | 0.664 | 74% | 0.737 | S | S | * | * | | | trans | -69.3 | 90.5 | 175.6 | 57.9 | 0 | 0 | 0 | 0 | 106.3 | T1169 L1173 | T1169-S1171 PolarHBondContact O-N 3.32Å; S1171-L1173 PolarHBondContact O-N 3.42Å |
| 1172 | H | 29.4 | Very low | 31.5 | Very low | 153 Ų | 153 | 138 Ų | 138 | 71% | 0.708 | 75% | 0.745 | S | S | * | * | | | trans | -63 | 66 | 163 | -59.5 | -79.3 | 0 | 0 | 0 | 108.8 | E1170 S1174 | E1170-H1172 PolarHBondContact O-CD2 2.96Å; E1170-H1172 VanDerWaalsContact O-CD2 3.23Å; E1170-H1172 PolarHBondContact O-N 3.12Å; H1172-S1174 PolarHBondContact O-N 3.48Å |
| 1173 | L | 38.6 | Very low | 31.1 | Very low | 158 Ų | 158 | 137.6 Ų | 137.6 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | | | trans | -68.6 | 96.9 | 152.4 | -69.6 | -176.6 | 0 | 0 | 0 | 104.7 | S1171 | S1171-L1173 PolarHBondContact O-N 3.42Š|
| 1174 | S | 32.1 | Very low | 30.8 | Very low | 106 Ų | 106 | 142.1 Ų | 142.1 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | | | trans | -41.1 | 136.5 | -171 | -56 | 0 | 0 | 0 | 0 | 111.9 | H1172 G1176 | H1172-S1174 PolarHBondContact O-N 3.48Å; S1174-G1176 PolarHBondContact O-N 2.84Å |
| 1175 | K | 29.5 | Very low | 31 | Very low | 215 Ų | 215 | 140.4 Ų | 140.4 | 94% | 0.935 | 76% | 0.759 | S | S | * | * | | | trans | -71.4 | 59.3 | 170 | -156.6 | 170.5 | -175.7 | 178.7 | 0 | 109.3 | L1177 | K1175-L1177 PolarHBondContact O-N 2.74Š|
| 1176 | G | 25.4 | Very low | 31.1 | Very low | 51 Ų | 51 | 138.8 Ų | 138.8 | 53% | 0.526 | 76% | 0.758 | S | S | . | * | | | trans | -81.3 | 100.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | S1174 S1178 | S1174-G1176 PolarHBondContact O-N 2.84Å; G1176-S1178 PolarHBondContact O-N 3.16Å; G1176-S1178 PolarHBondContact O-OG 3.37Å |
| 1177 | L | 30.1 | Very low | 31.7 | Very low | 172 Ų | 172 | 135.5 Ų | 135.5 | 90% | 0.901 | 73% | 0.734 | S | S | * | * | | | trans | -51.7 | 108.8 | 163.3 | -76.8 | 149.8 | 0 | 0 | 0 | 108.9 | K1175 | K1175-L1177 PolarHBondContact O-N 2.74Š|
| 1178 | S | 32.4 | Very low | 32.2 | Very low | 85 Ų | 85 | 135.7 Ų | 135.7 | 59% | 0.594 | 74% | 0.736 | S | S | * | * | | | trans | -149 | 77.3 | 175.2 | 47.8 | 0 | 0 | 0 | 0 | 110.1 | G1176 Y1180 | G1176-S1178 PolarHBondContact O-N 3.16Å; G1176-S1178 PolarHBondContact O-OG 3.37Å; S1178-Y1180 PolarHBondContact O-N 2.74Å |
| 1179 | D | 31.7 | Very low | 32.9 | Very low | 159 Ų | 159 | 133.4 Ų | 133.4 | 85% | 0.85 | 72% | 0.719 | S | S | * | * | | | trans | -68.3 | 42.1 | 165.7 | -71.3 | -44.9 | 0 | 0 | 0 | 111.7 | | |
| 1180 | Y | 28.5 | Very low | 33.4 | Very low | 205 Ų | 205 | 130.4 Ų | 130.4 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | | | trans | -145.9 | 30.4 | -166.4 | -118.8 | -85.7 | 0 | 0 | 0 | 115.3 | S1178 | S1178-Y1180 PolarHBondContact O-N 2.74Š|
| 1181 | H | 34.7 | Very low | 34.7 | Very low | 168 Ų | 168 | 131 Ų | 131 | 78% | 0.778 | 70% | 0.701 | S | S | * | * | | | trans | -129.3 | 60.7 | 164.4 | -77.8 | -56.1 | 0 | 0 | 0 | 112.9 | G1183 | H1181-G1183 PolarHBondContact O-N 2.73Å; H1181-G1183 VanDerWaalsContact O-N 3.13Å |
| 1182 | Q | 31.5 | Very low | 36.1 | Very low | 202 Ų | 202 | 128.9 Ų | 128.9 | 94% | 0.944 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | 108.8 | 156.6 | -167.2 | 78.4 | 4.4 | 0 | 0 | 108.6 | | |
| 1183 | G | 28.9 | Very low | 37.6 | Very low | 71 Ų | 71 | 130.1 Ų | 130.1 | 73% | 0.732 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 126.9 | 3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 119 | H1181 | H1181-G1183 PolarHBondContact O-N 2.73Å; H1181-G1183 VanDerWaalsContact O-N 3.13Å |
| 1184 | Y | 30.5 | Very low | 39 | Very low | 217 Ų | 217 | 132.3 Ų | 132.3 | 85% | 0.851 | 69% | 0.691 | S | S | * | * | | | trans | -102.8 | 105.6 | 169.9 | -130.9 | -99.2 | 0 | 0 | 0 | 111.8 | G1186 | Y1184-G1186 PolarHBondContact O-N 2.92Š|
| 1185 | E | 36.7 | Very low | 40.4 | Very low | 184 Ų | 184 | 129.9 Ų | 129.9 | 86% | 0.86 | 68% | 0.683 | S | S | * | * | | | trans | -71.4 | 57 | 172.8 | -63.4 | -171 | 148.2 | 0 | 0 | 111.7 | I1187 | E1185-I1187 VanDerWaalsContact C-N 3.28Å; E1185-I1187 PolarHBondContact O-N 3.39Å |
| 1186 | G | 34.7 | Very low | 42 | Very low | 63 Ų | 63 | 127.7 Ų | 127.7 | 65% | 0.649 | 67% | 0.669 | S | S | * | * | | | trans | -69.4 | 84.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y1184 G1188 | Y1184-G1186 PolarHBondContact O-N 2.92Å; G1186-G1188 PolarHBondContact O-N 3.2Å |
| 1187 | I | 42.4 | Very low | 43.7 | Very low | 76 Ų | 76 | 128.7 Ų | 128.7 | 39% | 0.39 | 66% | 0.662 | S | S | . | * | | | trans | -66.8 | 82.5 | 170.3 | -55.2 | 177.8 | 0 | 0 | 0 | 108.2 | E1185 Y1189 | E1185-I1187 VanDerWaalsContact C-N 3.28Å; E1185-I1187 PolarHBondContact O-N 3.39Å; I1187-Y1189 HydrophobicContact CG2-CE1 4.42Å; I1187-Y1189 HydrophobicContact CG2-CE2 4.37Å; I1187-Y1189 WeakPolarHBondContact O-CD2 3.47Å; I1187-Y1189 VanDerWaalsContact O-CE2 3.24Å; I1187-Y1189 WeakPolarHBondContact O-CE2 3.47Å; I1187-Y1189 PolarHBondContact O-N 3.4Å |
| 1188 | G | 36.1 | Very low | 45.3 | Very low | 49 Ų | 49 | 124.9 Ų | 124.9 | 51% | 0.505 | 64% | 0.642 | S | S | . | * | | | trans | -64.5 | 117 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | G1186 S1190 G1200 | G1186-G1188 PolarHBondContact O-N 3.2Å; G1188-S1190 PolarHBondContact O-N 3.41Å; G1188-G1200 WeakPolarHBondContact O-CA 3.41Å |
| 1189 | Y | 45.2 | Very low | 45.9 | Very low | 121 Ų | 121 | 127.5 Ų | 127.5 | 48% | 0.475 | 64% | 0.644 | S | S | . | * | | | trans | -84.9 | 91 | 176.3 | -64.5 | -87.7 | 0 | 0 | 0 | 109.4 | I1187 Y1191 L1197 G1200 | I1187-Y1189 HydrophobicContact CG2-CE1 4.42Å; I1187-Y1189 HydrophobicContact CG2-CE2 4.37Å; I1187-Y1189 WeakPolarHBondContact O-CD2 3.47Å; I1187-Y1189 VanDerWaalsContact O-CE2 3.24Å; I1187-Y1189 WeakPolarHBondContact O-CE2 3.47Å; I1187-Y1189 PolarHBondContact O-N 3.4Å; Y1189-Y1191 VanDerWaalsContact O-CD2 3.27Å; Y1189-Y1191 WeakPolarHBondContact O-CD2 3.37Å; Y1189-Y1191 WeakPolarHBondContact O-CE2 3.26Å; Y1189-L1197 HydrophobicContact CD1-CD1 3.83Å; Y1189-L1197 HydrophobicContact CD1-CD2 4.32Å; Y1189-L1197 HydrophobicContact CG-CD1 4.32Å; Y1189-G1200 VanDerWaalsContact CD1-O 3.26Å; Y1189-G1200 WeakPolarHBondContact CD1-O 3.12Å; Y1189-G1200 WeakPolarHBondContact CE1-O 3.26Å |
| 1190 | S | 45.3 | Very low | 46.6 | Very low | 63 Ų | 63 | 121.1 Ų | 121.1 | 44% | 0.441 | 62% | 0.616 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.4 | 124.9 | 177.8 | -56.1 | 0 | 0 | 0 | 0 | 110 | G1188 L1197 I1198 H1199 | G1188-S1190 PolarHBondContact O-N 3.41Å; S1190-L1197 CarbonylContact O-C 3.54Å; S1190-I1198 PolarHBondContact O-N 3.31Å; S1190-H1199 PolarHBondContact N-O 2.91Å |
| 1191 | Y | 55.6 | Low | 47.4 | Very low | 138 Ų | 138 | 112.9 Ų | 112.9 | 54% | 0.541 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.8 | 147.7 | 176.4 | -65.8 | -94.6 | 0 | 0 | 0 | 111.5 | Y1189 G1195 R1196 L1197 | Y1189-Y1191 VanDerWaalsContact O-CD2 3.27Å; Y1189-Y1191 WeakPolarHBondContact O-CD2 3.37Å; Y1189-Y1191 WeakPolarHBondContact O-CE2 3.26Å; Y1191-G1195 WeakPolarHBondContact CD1-O 3.35Å; Y1191-R1196 CarbonylContact C-O 3.49Å; Y1191-R1196 VanDerWaalsContact CA-O 3.32Å; Y1191-R1196 WeakPolarHBondContact CA-O 3.27Å; Y1191-L1197 HydrophobicContact CD1-CB 4.19Å; Y1191-L1197 HydrophobicContact CD1-CD1 4.36Å; Y1191-L1197 HydrophobicContact CD2-CD1 4.47Å; Y1191-L1197 HydrophobicContact CE1-CB 4.01Å; Y1191-L1197 HydrophobicContact CE1-CD1 4.01Å; Y1191-L1197 HydrophobicContact CE2-CD1 4.12Å |
| 1192 | D | 58 | Low | 48.1 | Very low | 51 Ų | 51 | 106.2 Ų | 106.2 | 27% | 0.273 | 57% | 0.567 | S | S | . | * | | | trans | -81.4 | 171.7 | 172.5 | 78.4 | -0.1 | 0 | 0 | 0 | 111.9 | R1194 G1195 R1196 I1198 | D1192-R1194 PolarHBondContact O-N 3.28Å; D1192-R1194 VanDerWaalsContact OD1-C 3.22Å; D1192-R1194 WeakPolarHBondContact OD1-CA 3.16Å; D1192-R1194 VanDerWaalsContact OD1-CB 3.26Å; D1192-R1194 WeakPolarHBondContact OD1-CB 3.4Å; D1192-R1194 PolarHBondContact OD1-N 3.43Å; D1192-G1195 PolarHBondContact O-N 3.32Å; D1192-G1195 PolarHBondContact OD1-N 3.47Å; D1192-R1196 PolarHBondContact N-O 2.98Å; D1192-R1196 WeakPolarHBondContact OD1-CB 3.4Å; D1192-R1196 PolarHBondContact OD1-N 2.92Å; D1192-I1198 HydrophobicContact CB-CD1 3.94Å; D1192-I1198 HydrophobicContact CB-CG1 3.84Å |
| 1193 | N | 61 | Low | 48.9 | Very low | 178 Ų | 178 | 100.5 Ų | 100.5 | 95% | 0.952 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -1.4 | 177.8 | -53.9 | 2.2 | 0 | 0 | 0 | 113.5 | | |
| 1194 | R | 69.8 | Low | 50 | Low | 204 Ų | 204 | 103.3 Ų | 103.3 | 77% | 0.77 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | 7.3 | 175.1 | -51.4 | 179.1 | 176.7 | -136 | -1.5 | 111.9 | D1192 R1196 | D1192-R1194 PolarHBondContact O-N 3.28Å; D1192-R1194 VanDerWaalsContact OD1-C 3.22Å; D1192-R1194 WeakPolarHBondContact OD1-CA 3.16Å; D1192-R1194 VanDerWaalsContact OD1-CB 3.26Å; D1192-R1194 WeakPolarHBondContact OD1-CB 3.4Å; D1192-R1194 PolarHBondContact OD1-N 3.43Å; R1194-R1196 VanDerWaalsContact C-N 3.31Å; R1194-R1196 HydrophobicContact CB-CG 4.4Å; R1194-R1196 PolarHBondContact O-N 3.04Å |
| 1195 | G | 59.7 | Low | 51.2 | Low | 56 Ų | 56 | 97.2 Ų | 97.2 | 58% | 0.577 | 53% | 0.533 | S | S | * | . | S | Bend | trans | 73.4 | 16.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y1191 D1192 | Y1191-G1195 WeakPolarHBondContact CD1-O 3.35Å; D1192-G1195 PolarHBondContact O-N 3.32Å; D1192-G1195 PolarHBondContact OD1-N 3.47Å |
| 1196 | R | 64.6 | Low | 52.2 | Low | 168 Ų | 168 | 94.1 Ų | 94.1 | 63% | 0.634 | 52% | 0.518 | S | S | * | . | | | trans | -91.5 | 132.2 | 176.6 | -58.8 | 178.7 | 170.1 | -166.9 | -4.5 | 110.1 | Y1191 D1192 R1194 I1198 | Y1191-R1196 CarbonylContact C-O 3.49Å; Y1191-R1196 VanDerWaalsContact CA-O 3.32Å; Y1191-R1196 WeakPolarHBondContact CA-O 3.27Å; D1192-R1196 PolarHBondContact N-O 2.98Å; D1192-R1196 WeakPolarHBondContact OD1-CB 3.4Å; D1192-R1196 PolarHBondContact OD1-N 2.92Å; R1194-R1196 VanDerWaalsContact C-N 3.31Å; R1194-R1196 HydrophobicContact CB-CG 4.4Å; R1194-R1196 PolarHBondContact O-N 3.04Å; R1196-I1198 PolarHBondContact O-N 2.79Å |
| 1197 | L | 59.6 | Low | 53.3 | Low | 73 Ų | 73 | 96.9 Ų | 96.9 | 38% | 0.382 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 113.4 | 175.4 | -173 | 65.7 | 0 | 0 | 0 | 110.3 | Y1189 S1190 Y1191 H1199 G1200 | Y1189-L1197 HydrophobicContact CD1-CD1 3.83Å; Y1189-L1197 HydrophobicContact CD1-CD2 4.32Å; Y1189-L1197 HydrophobicContact CG-CD1 4.32Å; S1190-L1197 CarbonylContact O-C 3.54Å; Y1191-L1197 HydrophobicContact CD1-CB 4.19Å; Y1191-L1197 HydrophobicContact CD1-CD1 4.36Å; Y1191-L1197 HydrophobicContact CD2-CD1 4.47Å; Y1191-L1197 HydrophobicContact CE1-CB 4.01Å; Y1191-L1197 HydrophobicContact CE1-CD1 4.01Å; Y1191-L1197 HydrophobicContact CE2-CD1 4.12Å; L1197-H1199 WeakPolarHBondContact CD1-O 3.32Å; L1197-G1200 WeakPolarHBondContact CD2-O 3.33Å |
| 1198 | I | 63.6 | Low | 54.1 | Low | 92 Ų | 92 | 96.7 Ų | 96.7 | 47% | 0.472 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | -53.8 | 178.7 | -46.1 | 175.6 | 0 | 0 | 0 | 109.4 | S1190 D1192 R1196 | S1190-I1198 PolarHBondContact O-N 3.31Å; D1192-I1198 HydrophobicContact CB-CD1 3.94Å; D1192-I1198 HydrophobicContact CB-CG1 3.84Å; R1196-I1198 PolarHBondContact O-N 2.79Å |
| 1199 | H | 45.9 | Very low | 55.2 | Low | 140 Ų | 140 | 96.6 Ų | 96.6 | 65% | 0.648 | 51% | 0.509 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 162.6 | -178.2 | -66.2 | -58.2 | 0 | 0 | 0 | 110.5 | S1190 L1197 | S1190-H1199 PolarHBondContact N-O 2.91Å; L1197-H1199 WeakPolarHBondContact CD1-O 3.32Å |
| 1200 | G | 45.4 | Very low | 55.7 | Low | 25 Ų | 25 | 93 Ų | 93 | 26% | 0.258 | 50% | 0.501 | S | S | . | . | | | trans | 93.4 | 107.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G1188 Y1189 L1197 | G1188-G1200 WeakPolarHBondContact O-CA 3.41Å; Y1189-G1200 VanDerWaalsContact CD1-O 3.26Å; Y1189-G1200 WeakPolarHBondContact CD1-O 3.12Å; Y1189-G1200 WeakPolarHBondContact CE1-O 3.26Å; L1197-G1200 WeakPolarHBondContact CD2-O 3.33Å |
| 1201 | G | 45.4 | Very low | 56.2 | Low | 31 Ų | 31 | 98 Ų | 98 | 32% | 0.32 | 51% | 0.511 | S | S | . | . | | | trans | -173.8 | 131.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | C1203 R1207 | G1201-C1203 PolarHBondContact O-N 2.82Å; G1201-R1207 VanDerWaalsContact CA-NH2 3.34Å |
| 1202 | A | 49.6 | Very low | 56.4 | Low | 28 Ų | 28 | 98.6 Ų | 98.6 | 23% | 0.231 | 52% | 0.516 | C | S | . | . | | | trans | -39.9 | 136.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R1207 | A1202-R1207 HydrophobicContact CB-CG 4.25Å; A1202-R1207 WeakPolarHBondContact O-CD 3.19Å; A1202-R1207 WeakPolarHBondContact O-CG 3.4Å; A1202-R1207 PolarHBondContact O-NE 2.97Å; A1202-R1207 VanDerWaalsContact O-NE 3.12Å |
| 1203 | C | 48.5 | Very low | 56.5 | Low | 82 Ų | 82 | 105 Ų | 105 | 55% | 0.554 | 54% | 0.537 | S | S | * | . | | | trans | -59.9 | 150.3 | -166.2 | -161.6 | 0 | 0 | 0 | 0 | 111.1 | G1201 P1205 E1206 R1207 | G1201-C1203 PolarHBondContact O-N 2.82Å; C1203-P1205 VanDerWaalsContact C-N 3.27Å; C1203-P1205 VanDerWaalsContact O-N 3.13Å; C1203-P1205 VanDerWaalsContact SG-CD 3.53Å; C1203-E1206 PolarHBondContact N-OE2 2.93Å; C1203-E1206 PolarHBondContact O-N 3.1Å; C1203-R1207 PolarHBondContact O-N 3.01Å; C1203-R1207 VanDerWaalsContact O-N 3.11Å |
| 1204 | L | 53.7 | Low | 56.3 | Low | 130 Ų | 130 | 101.1 Ų | 101.1 | 68% | 0.681 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -52.2 | -36.4 | -175.5 | -68.6 | 177.5 | 0 | 0 | 0 | 114.1 | S1208 | L1204-S1208 WeakPolarHBondContact O-CB 3.48Å; L1204-S1208 PolarHBondContact O-N 2.74Å; L1204-S1208 PolarHBondContact O-OG 3.25Å |
| 1205 | P | 54.2 | Low | 55.7 | Low | 90 Ų | 90 | 97.9 Ų | 97.9 | 58% | 0.584 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60 | -45.3 | 173.1 | -25.3 | 36.6 | 0 | 0 | 0 | 113.3 | C1203 S1208 A1209 | C1203-P1205 VanDerWaalsContact C-N 3.27Å; C1203-P1205 VanDerWaalsContact O-N 3.13Å; C1203-P1205 VanDerWaalsContact SG-CD 3.53Å; P1205-S1208 CarbonylContact O-C 3.6Å; P1205-S1208 PolarHBondContact O-N 2.87Å; P1205-A1209 VanDerWaalsContact O-CB 3.29Å; P1205-A1209 WeakPolarHBondContact O-CB 3.29Å; P1205-A1209 PolarHBondContact O-N 3.43Å |
| 1206 | E | 58.2 | Low | 55.6 | Low | 118 Ų | 118 | 102.2 Ų | 102.2 | 55% | 0.551 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.8 | -44.1 | 180 | -60.7 | -171.2 | 113.6 | 0 | 0 | 111.9 | C1203 S1208 A1209 S1210 | C1203-E1206 PolarHBondContact N-OE2 2.93Å; C1203-E1206 PolarHBondContact O-N 3.1Å; E1206-S1208 PolarHBondContact O-N 3.18Å; E1206-A1209 PolarHBondContact O-N 2.88Å; E1206-S1210 WeakPolarHBondContact O-CB 3.42Å; E1206-S1210 PolarHBondContact O-N 3.24Å |
| 1207 | R | 58.1 | Low | 55.5 | Low | 122 Ų | 122 | 99.2 Ų | 99.2 | 46% | 0.46 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.2 | -38.3 | 174.4 | -73.9 | 179.9 | 171.3 | -174.3 | -4 | 111.2 | G1201 A1202 C1203 R1211 | G1201-R1207 VanDerWaalsContact CA-NH2 3.34Å; A1202-R1207 HydrophobicContact CB-CG 4.25Å; A1202-R1207 WeakPolarHBondContact O-CD 3.19Å; A1202-R1207 WeakPolarHBondContact O-CG 3.4Å; A1202-R1207 PolarHBondContact O-NE 2.97Å; A1202-R1207 VanDerWaalsContact O-NE 3.12Å; C1203-R1207 PolarHBondContact O-N 3.01Å; C1203-R1207 VanDerWaalsContact O-N 3.11Å; R1207-R1211 VanDerWaalsContact O-CB 3.26Å; R1207-R1211 WeakPolarHBondContact O-CB 3.44Å; R1207-R1211 PolarHBondContact O-N 3.02Å |
| 1208 | S | 58.5 | Low | 54.8 | Low | 71 Ų | 71 | 96.7 Ų | 96.7 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -73 | -43.5 | 178.4 | -59.1 | 0 | 0 | 0 | 0 | 112.3 | L1204 P1205 E1206 R1211 K1212 | L1204-S1208 WeakPolarHBondContact O-CB 3.48Å; L1204-S1208 PolarHBondContact O-N 2.74Å; L1204-S1208 PolarHBondContact O-OG 3.25Å; P1205-S1208 CarbonylContact O-C 3.6Å; P1205-S1208 PolarHBondContact O-N 2.87Å; E1206-S1208 PolarHBondContact O-N 3.18Å; S1208-R1211 CarbonylContact O-C 3.55Å; S1208-R1211 PolarHBondContact O-N 3.31Å; S1208-K1212 WeakPolarHBondContact O-CB 3.42Å; S1208-K1212 PolarHBondContact O-N 2.79Å |
| 1209 | A | 59.8 | Low | 54.1 | Low | 47 Ų | 47 | 94.5 Ų | 94.5 | 39% | 0.388 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.8 | -39.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | P1205 E1206 R1211 K1212 R1213 | P1205-A1209 VanDerWaalsContact O-CB 3.29Å; P1205-A1209 WeakPolarHBondContact O-CB 3.29Å; P1205-A1209 PolarHBondContact O-N 3.43Å; E1206-A1209 PolarHBondContact O-N 2.88Å; A1209-R1211 VanDerWaalsContact C-N 3.34Å; A1209-K1212 PolarHBondContact O-N 3.13Å; A1209-R1213 PolarHBondContact O-N 3Å |
| 1210 | S | 55.5 | Low | 54.2 | Low | 45 Ų | 45 | 91 Ų | 91 | 32% | 0.315 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62 | -41.6 | 171 | -173.8 | 0 | 0 | 0 | 0 | 110.9 | E1206 R1214 | E1206-S1210 WeakPolarHBondContact O-CB 3.42Å; E1206-S1210 PolarHBondContact O-N 3.24Å; S1210-R1214 WeakPolarHBondContact O-CB 3.45Å; S1210-R1214 PolarHBondContact O-N 2.81Å; S1210-R1214 PolarHBondContact O-NH1 2.93Å; S1210-R1214 PolarHBondContact OG-NH2 3.3Å |
| 1211 | R | 55.9 | Low | 54.2 | Low | 168 Ų | 168 | 93 Ų | 93 | 63% | 0.634 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.5 | -40.7 | 173.5 | -169.4 | -179.1 | -63.5 | -125.2 | 2.2 | 112.3 | R1207 S1208 A1209 R1214 L1215 | R1207-R1211 VanDerWaalsContact O-CB 3.26Å; R1207-R1211 WeakPolarHBondContact O-CB 3.44Å; R1207-R1211 PolarHBondContact O-N 3.02Å; S1208-R1211 CarbonylContact O-C 3.55Å; S1208-R1211 PolarHBondContact O-N 3.31Å; A1209-R1211 VanDerWaalsContact C-N 3.34Å; R1211-R1214 PolarHBondContact O-N 3.12Å; R1211-L1215 HydrophobicContact CG-CD1 4.16Å; R1211-L1215 WeakPolarHBondContact O-CB 3.35Å; R1211-L1215 VanDerWaalsContact O-CG 3.3Å; R1211-L1215 WeakPolarHBondContact O-CG 3.39Å; R1211-L1215 PolarHBondContact O-N 3.25Å |
| 1212 | K | 60.4 | Low | 54.3 | Low | 151 Ų | 151 | 96.7 Ų | 96.7 | 66% | 0.657 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.7 | -44.1 | 179.3 | -160.6 | 175.4 | -175.7 | -176.9 | 0 | 111.6 | S1208 A1209 L1215 L1216 | S1208-K1212 WeakPolarHBondContact O-CB 3.42Å; S1208-K1212 PolarHBondContact O-N 2.79Å; A1209-K1212 PolarHBondContact O-N 3.13Å; K1212-L1215 PolarHBondContact O-N 3.21Å; K1212-L1216 WeakPolarHBondContact O-CG 2.89Å; K1212-L1216 PolarHBondContact O-N 2.91Å; K1212-L1216 VanDerWaalsContact O-N 3.09Å |
| 1213 | R | 60.2 | Low | 54.3 | Low | 186 Ų | 186 | 98 Ų | 98 | 70% | 0.702 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.8 | -46.3 | 168.8 | -87 | -172.3 | -78.2 | -174.2 | -5.9 | 111.8 | A1209 L1215 L1216 D1217 | A1209-R1213 PolarHBondContact O-N 3Å; R1213-L1215 VanDerWaalsContact C-N 3.32Å; R1213-L1215 PolarHBondContact O-N 2.66Å; R1213-L1216 PolarHBondContact O-N 2.81Å; R1213-D1217 WeakPolarHBondContact O-CB 3.49Å; R1213-D1217 PolarHBondContact O-N 2.91Å |
| 1214 | R | 55.7 | Low | 54.3 | Low | 97 Ų | 97 | 102.3 Ų | 102.3 | 37% | 0.366 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.5 | -34 | 180 | -170.3 | 178.9 | -63.3 | 97.5 | 10.3 | 113.8 | S1210 R1211 G1218 H1219 | S1210-R1214 WeakPolarHBondContact O-CB 3.45Å; S1210-R1214 PolarHBondContact O-N 2.81Å; S1210-R1214 PolarHBondContact O-NH1 2.93Å; S1210-R1214 PolarHBondContact OG-NH2 3.3Å; R1211-R1214 PolarHBondContact O-N 3.12Å; R1214-G1218 PolarHBondContact O-N 3.32Å; R1214-G1218 VanDerWaalsContact O-N 3.1Å; R1214-H1219 VanDerWaalsContact CD-O 3.23Å; R1214-H1219 WeakPolarHBondContact CD-O 3.4Å; R1214-H1219 WeakPolarHBondContact CG-O 3.41Å; R1214-H1219 PolarHBondContact O-N 3.07Å |
| 1215 | L | 58 | Low | 54.2 | Low | 135 Ų | 135 | 99.1 Ų | 99.1 | 71% | 0.707 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -72.4 | -37.2 | 174.5 | -74.2 | 168.5 | 0 | 0 | 0 | 112.1 | R1211 K1212 R1213 | R1211-L1215 HydrophobicContact CG-CD1 4.16Å; R1211-L1215 WeakPolarHBondContact O-CB 3.35Å; R1211-L1215 VanDerWaalsContact O-CG 3.3Å; R1211-L1215 WeakPolarHBondContact O-CG 3.39Å; R1211-L1215 PolarHBondContact O-N 3.25Å; K1212-L1215 PolarHBondContact O-N 3.21Å; R1213-L1215 VanDerWaalsContact C-N 3.32Å; R1213-L1215 PolarHBondContact O-N 2.66Å |
| 1216 | L | 57.8 | Low | 53.9 | Low | 148 Ų | 148 | 103.2 Ų | 103.2 | 78% | 0.775 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.1 | -38.2 | 172.7 | -72.6 | 164.5 | 0 | 0 | 0 | 112.2 | K1212 R1213 G1218 | K1212-L1216 WeakPolarHBondContact O-CG 2.89Å; K1212-L1216 PolarHBondContact O-N 2.91Å; K1212-L1216 VanDerWaalsContact O-N 3.09Å; R1213-L1216 PolarHBondContact O-N 2.81Å; L1216-G1218 VanDerWaalsContact C-N 3.34Å |
| 1217 | D | 61 | Low | 53.8 | Low | 104 Ų | 104 | 101.6 Ų | 101.6 | 56% | 0.556 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -9.8 | -179.6 | -170.9 | 39.3 | 0 | 0 | 0 | 113.6 | R1213 H1219 | R1213-D1217 WeakPolarHBondContact O-CB 3.49Å; R1213-D1217 PolarHBondContact O-N 2.91Å; D1217-H1219 PolarHBondContact O-CD2 3.38Å; D1217-H1219 VanDerWaalsContact O-CD2 3.31Å; D1217-H1219 PolarHBondContact O-N 3.5Å; D1217-H1219 IonicContact OD1-CD2 2.98Å; D1217-H1219 IonicContact OD2-CD2 3.29Å; D1217-H1219 PolarHBondContact OD2-CD2 3.4Å; D1217-H1219 VanDerWaalsContact OD2-CD2 3.28Å; D1217-H1219 IonicContact OD2-CG 3.25Å |
| 1218 | G | 46.3 | Very low | 53.2 | Low | 21 Ų | 21 | 100 Ų | 100 | 22% | 0.216 | 50% | 0.498 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | 21.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | R1214 L1216 | R1214-G1218 PolarHBondContact O-N 3.32Å; R1214-G1218 VanDerWaalsContact O-N 3.1Å; L1216-G1218 VanDerWaalsContact C-N 3.34Å |
| 1219 | H | 48.4 | Very low | 52.7 | Low | 45 Ų | 45 | 103.2 Ų | 103.2 | 21% | 0.208 | 51% | 0.505 | C | S | . | . | | | trans | -104.8 | 72.1 | -174.9 | -92 | -81.9 | 0 | 0 | 0 | 112.1 | K1090 R1214 D1217 S1221 | K1090-H1219 PolarHBondContact NZ-NE2 2.85Å; R1214-H1219 VanDerWaalsContact CD-O 3.23Å; R1214-H1219 WeakPolarHBondContact CD-O 3.4Å; R1214-H1219 WeakPolarHBondContact CG-O 3.41Å; R1214-H1219 PolarHBondContact O-N 3.07Å; D1217-H1219 PolarHBondContact O-CD2 3.38Å; D1217-H1219 VanDerWaalsContact O-CD2 3.31Å; D1217-H1219 PolarHBondContact O-N 3.5Å; D1217-H1219 IonicContact OD1-CD2 2.98Å; D1217-H1219 IonicContact OD2-CD2 3.29Å; D1217-H1219 PolarHBondContact OD2-CD2 3.4Å; D1217-H1219 VanDerWaalsContact OD2-CD2 3.28Å; D1217-H1219 IonicContact OD2-CG 3.25Å; H1219-S1221 PolarHBondContact O-N 3.19Å; H1219-S1221 VanDerWaalsContact O-N 3.08Å |
| 1220 | E | 47.3 | Very low | 52.1 | Low | 67 Ų | 67 | 107.3 Ų | 107.3 | 31% | 0.313 | 53% | 0.531 | S | S | . | . | | | trans | -72.6 | 102.3 | 178.4 | 49.3 | 166.8 | -114.5 | 0 | 0 | 113.9 | R1091 | R1091-E1220 HydrophobicContact CB-CG 4.12Å; R1091-E1220 IonicContact CZ-OE1 3.21Å; R1091-E1220 IonicContact NE-OE1 2.71Å; R1091-E1220 PolarHBondContact NE-OE1 2.78Å; R1091-E1220 IonicContact NH2-OE1 3.35Å; R1091-E1220 PolarHBondContact NH2-OE1 3.03Å |
| 1221 | S | 46.3 | Very low | 51.5 | Low | 66 Ų | 66 | 107.4 Ų | 107.4 | 46% | 0.462 | 54% | 0.54 | S | S | . | . | | | trans | 85.2 | 112.9 | 169.7 | -35 | 0 | 0 | 0 | 0 | 115.6 | T1089 H1219 | T1089-S1221 PolarHBondContact N-O 3.47Å; H1219-S1221 PolarHBondContact O-N 3.19Å; H1219-S1221 VanDerWaalsContact O-N 3.08Å |
| 1222 | L | 47.1 | Very low | 50.8 | Low | 110 Ų | 110 | 107.8 Ų | 107.8 | 58% | 0.576 | 55% | 0.548 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 106.4 | 156.9 | -63 | -177.3 | 0 | 0 | 0 | 107.4 | I1086 R1224 | I1086-L1222 HydrophobicContact CG2-CB 4.04Å; I1086-L1222 HydrophobicContact CG2-CD1 4.34Å; I1086-L1222 HydrophobicContact CG2-CD2 4.28Å; I1086-L1222 HydrophobicContact CG2-CG 4.45Å; L1222-R1224 PolarHBondContact O-N 3.22Å |
| 1223 | S | 49.5 | Very low | 49.8 | Very low | 55 Ų | 55 | 109.4 Ų | 109.4 | 39% | 0.385 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.1 | 109.3 | 174.6 | -64.4 | 0 | 0 | 0 | 0 | 108.5 | I1087 V1225 | I1087-S1223 PolarHBondContact N-O 2.99Å; I1087-S1223 PolarHBondContact O-N 3.49Å; S1223-V1225 PolarHBondContact O-N 3.27Å |
| 1224 | R | 48.4 | Very low | 48.4 | Very low | 173 Ų | 173 | 109.1 Ų | 109.1 | 65% | 0.653 | 56% | 0.558 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.1 | 108.5 | 172.7 | -163.7 | 170.4 | -169.1 | 177.4 | 1.4 | 108.5 | S1084 I1086 L1222 | S1084-R1224 PolarHBondContact OG-NE 3.39Å; S1084-R1224 VanDerWaalsContact OG-NE 3.12Å; S1084-R1224 PolarHBondContact OG-NH2 3Å; I1086-R1224 HydrophobicContact CG1-CG 4.13Å; L1222-R1224 PolarHBondContact O-N 3.22Å |
| 1225 | V | 52.2 | Low | 47.5 | Very low | 63 Ų | 63 | 109.6 Ų | 109.6 | 38% | 0.382 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.7 | 127.6 | 180 | -179.1 | 0 | 0 | 0 | 0 | 108.4 | L1085 I1087 S1223 | L1085-V1225 PolarHBondContact N-O 3.28Å; L1085-V1225 PolarHBondContact O-N 3.18Å; I1087-V1225 HydrophobicContact CD1-CB 4.35Å; I1087-V1225 HydrophobicContact CD1-CG2 3.72Å; I1087-V1225 HydrophobicContact CG1-CG2 4.16Å; S1223-V1225 PolarHBondContact O-N 3.27Å |
| 1226 | W | 48.2 | Very low | 46.5 | Very low | 175 Ų | 175 | 109.5 Ų | 109.5 | 66% | 0.663 | 58% | 0.579 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.2 | 131.4 | 172.8 | -158.3 | 67.5 | 0 | 0 | 0 | 108.9 | H1083 P1228 | H1083-W1226 HydrophobicContact CB-CZ2 4.46Å; H1083-W1226 WeakPolarHBondContact O-CA 3.49Å; W1226-P1228 HydrophobicContact CE3-CB 4.19Å; W1226-P1228 HydrophobicContact CZ3-CB 3.89Å; W1226-P1228 WeakPolarHBondContact O-CD 3.27Å |
| 1227 | I | 55.9 | Low | 45.6 | Very low | 84 Ų | 84 | 110.9 Ų | 110.9 | 43% | 0.431 | 58% | 0.579 | S | S | . | * | | | trans | -105.1 | 101.3 | 177.5 | -58.7 | -179.5 | 0 | 0 | 0 | 107.3 | H1083 L1085 Q1229 | H1083-I1227 PolarHBondContact O-N 3.4Å; L1085-I1227 HydrophobicContact CB-CD1 3.72Å; L1085-I1227 HydrophobicContact CB-CG1 4.25Å; L1085-I1227 HydrophobicContact CD2-CD1 4.14Å; I1227-Q1229 PolarHBondContact O-N 3.4Å |
| 1228 | P | 44.9 | Very low | 44.3 | Very low | 89 Ų | 89 | 114.9 Ų | 114.9 | 58% | 0.578 | 59% | 0.594 | S | S | * | * | | | trans | -67.1 | 120.2 | 171.5 | 27.3 | -32.3 | 0 | 0 | 0 | 109.1 | W1226 S1230 | W1226-P1228 HydrophobicContact CE3-CB 4.19Å; W1226-P1228 HydrophobicContact CZ3-CB 3.89Å; W1226-P1228 WeakPolarHBondContact O-CD 3.27Å; P1228-S1230 PolarHBondContact O-N 3.23Å |
| 1229 | Q | 47.6 | Very low | 43.8 | Very low | 139 Ų | 139 | 120.8 Ų | 120.8 | 65% | 0.65 | 62% | 0.619 | S | S | * | * | | | trans | -79.6 | 109.6 | 169.3 | -71.1 | -171.1 | -59.4 | 0 | 0 | 109.3 | I1227 G1231 | I1227-Q1229 PolarHBondContact O-N 3.4Å; Q1229-G1231 PolarHBondContact O-N 3.39Å |
| 1230 | S | 47.5 | Very low | 43.2 | Very low | 132 Ų | 132 | 123.3 Ų | 123.3 | 92% | 0.923 | 64% | 0.64 | S | S | * | * | | | trans | -73.7 | 71.8 | 155.9 | 57.6 | 0 | 0 | 0 | 0 | 108.3 | P1228 | P1228-S1230 PolarHBondContact O-N 3.23Š|
| 1231 | G | 42.8 | Very low | 42.6 | Very low | 48 Ų | 48 | 128.3 Ų | 128.3 | 50% | 0.495 | 67% | 0.668 | S | S | . | * | | | trans | -147.1 | 92.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q1229 Q1233 | Q1229-G1231 PolarHBondContact O-N 3.39Å; G1231-Q1233 VanDerWaalsContact C-N 3.27Å; G1231-Q1233 PolarHBondContact O-N 3.39Å |
| 1232 | E | 41 | Very low | 42.2 | Very low | 175 Ų | 175 | 135.8 Ų | 135.8 | 82% | 0.818 | 69% | 0.686 | S | S | * | * | | | trans | -62.6 | 83.5 | 175.9 | -70.2 | 176.1 | 177.6 | 0 | 0 | 110.9 | Y1234 | E1232-Y1234 HydrophobicContact CB-CD2 4.15Å; E1232-Y1234 HydrophobicContact CG-CD2 4.39Å; E1232-Y1234 HydrophobicContact CG-CE2 4.46Å; E1232-Y1234 PolarHBondContact O-N 3.13Å |
| 1233 | Q | 39.4 | Very low | 41.9 | Very low | 185 Ų | 185 | 135.3 Ų | 135.3 | 86% | 0.864 | 69% | 0.688 | S | S | * | * | | | trans | -85.4 | 60.7 | 156.9 | -68 | -161.9 | -32.8 | 0 | 0 | 109.2 | G1231 | G1231-Q1233 VanDerWaalsContact C-N 3.27Å; G1231-Q1233 PolarHBondContact O-N 3.39Å |
| 1234 | Y | 30.7 | Very low | 41.4 | Very low | 180 Ų | 180 | 137.4 Ų | 137.4 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | | | trans | -59.5 | 133.2 | 151.5 | -81.8 | -79.9 | 0 | 0 | 0 | 107 | E1232 V1236 | E1232-Y1234 HydrophobicContact CB-CD2 4.15Å; E1232-Y1234 HydrophobicContact CG-CD2 4.39Å; E1232-Y1234 HydrophobicContact CG-CE2 4.46Å; E1232-Y1234 PolarHBondContact O-N 3.13Å; Y1234-V1236 PolarHBondContact O-N 3.21Å |
| 1235 | P | 38.3 | Very low | 41 | Very low | 108 Ų | 108 | 132.8 Ų | 132.8 | 70% | 0.701 | 70% | 0.703 | S | S | * | * | | | trans | -59.6 | 117.4 | 178.6 | 23.9 | -32.5 | 0 | 0 | 0 | 108.1 | K1237 | P1235-K1237 PolarHBondContact O-N 3.35Š|
| 1236 | V | 35.7 | Very low | 40.4 | Very low | 132 Ų | 132 | 133 Ų | 133 | 80% | 0.8 | 71% | 0.707 | S | S | * | * | | | trans | -66 | 85.2 | -179.6 | -178.7 | 0 | 0 | 0 | 0 | 108.2 | Y1234 Q1238 | Y1234-V1236 PolarHBondContact O-N 3.21Å; V1236-Q1238 PolarHBondContact O-N 2.71Å |
| 1237 | K | 38.9 | Very low | 40.1 | Very low | 177 Ų | 177 | 131.4 Ų | 131.4 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | | | trans | -58.7 | 119.4 | 156.9 | -68.1 | -174.4 | 178.2 | -176.7 | 0 | 105 | P1235 I1239 | P1235-K1237 PolarHBondContact O-N 3.35Å; K1237-I1239 VanDerWaalsContact C-N 3.35Å; K1237-I1239 PolarHBondContact O-N 3.13Å |
| 1238 | Q | 34.3 | Very low | 39.6 | Very low | 188 Ų | 188 | 132.7 Ų | 132.7 | 88% | 0.879 | 72% | 0.723 | S | S | * | * | | | trans | -63 | 97.4 | -179.9 | -61.1 | 174 | 23.3 | 0 | 0 | 107.9 | V1236 | V1236-Q1238 PolarHBondContact O-N 2.71Š|
| 1239 | I | 36 | Very low | 39.7 | Very low | 146 Ų | 146 | 132.1 Ų | 132.1 | 75% | 0.749 | 72% | 0.715 | S | S | * | * | | | trans | -89.1 | 114.7 | 169.8 | -62.8 | 175.3 | 0 | 0 | 0 | 105.1 | K1237 | K1237-I1239 VanDerWaalsContact C-N 3.35Å; K1237-I1239 PolarHBondContact O-N 3.13Å |
| 1240 | P | 35.3 | Very low | 39.8 | Very low | 98 Ų | 98 | 134.1 Ų | 134.1 | 64% | 0.636 | 72% | 0.717 | S | S | * | * | | | trans | -65.1 | 154 | -172.5 | 25.8 | -34.6 | 0 | 0 | 0 | 112 | R1242 | P1240-R1242 PolarHBondContact O-N 3.05Š|
| 1241 | D | 35.3 | Very low | 40.1 | Very low | 171 Ų | 171 | 133.7 Ų | 133.7 | 91% | 0.914 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -66.8 | 57.3 | -169.7 | -57.1 | -65.9 | 0 | 0 | 0 | 115.4 | | |
| 1242 | R | 38.2 | Very low | 40.6 | Very low | 223 Ų | 223 | 137.1 Ų | 137.1 | 84% | 0.842 | 71% | 0.707 | S | S | * | * | | | trans | -134.7 | 79.1 | 178 | -68.2 | -171.5 | 179.5 | -170 | 0.8 | 110.5 | P1240 | P1240-R1242 PolarHBondContact O-N 3.05Š|
| 1243 | T | 39.7 | Very low | 41.1 | Very low | 101 Ų | 101 | 134.8 Ų | 134.8 | 62% | 0.62 | 69% | 0.691 | S | S | * | * | | | trans | 169.8 | 60.1 | 146.3 | 36.7 | 0 | 0 | 0 | 0 | 112.3 | S1245 S1246 | T1243-S1245 PolarHBondContact O-N 3.17Å; T1243-S1245 VanDerWaalsContact O-N 3.09Å; T1243-S1246 PolarHBondContact O-N 3.42Å |
| 1244 | A | 39.1 | Very low | 41.7 | Very low | 99 Ų | 99 | 129.9 Ų | 129.9 | 82% | 0.818 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -56.7 | -17.7 | 159.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1246 | A1244-S1246 VanDerWaalsContact C-N 3.3Å; A1244-S1246 PolarHBondContact O-N 3.02Å |
| 1245 | S | 39.9 | Very low | 42.7 | Very low | 75 Ų | 75 | 123.6 Ų | 123.6 | 52% | 0.524 | 65% | 0.654 | S | S | . | * | G | 310 helix | trans | -68.3 | -13.1 | 171 | 47.6 | 0 | 0 | 0 | 0 | 115.5 | T1243 L1247 T1248 | T1243-S1245 PolarHBondContact O-N 3.17Å; T1243-S1245 VanDerWaalsContact O-N 3.09Å; S1245-L1247 PolarHBondContact O-N 3.31Å; S1245-T1248 PolarHBondContact O-N 3.23Å; S1245-T1248 PolarHBondContact O-OG1 3.48Å |
| 1246 | S | 39.5 | Very low | 43.3 | Very low | 68 Ų | 68 | 125.3 Ų | 125.3 | 48% | 0.476 | 65% | 0.652 | S | S | . | * | G | 310 helix | trans | -77.4 | -3 | 179.7 | -159.3 | 0 | 0 | 0 | 0 | 114 | T1243 A1244 R1253 | T1243-S1246 PolarHBondContact O-N 3.42Å; A1244-S1246 VanDerWaalsContact C-N 3.3Å; A1244-S1246 PolarHBondContact O-N 3.02Å; S1246-R1253 PolarHBondContact O-NH1 3.25Å |
| 1247 | L | 41.8 | Very low | 44 | Very low | 141 Ų | 141 | 123.9 Ų | 123.9 | 74% | 0.738 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -84.3 | -17.3 | 171.3 | -78.5 | 170.2 | 0 | 0 | 0 | 113.4 | S1245 | S1245-L1247 PolarHBondContact O-N 3.31Š|
| 1248 | T | 46.8 | Very low | 44.8 | Very low | 112 Ų | 112 | 119.3 Ų | 119.3 | 69% | 0.687 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -21.4 | -178 | 51.7 | 0 | 0 | 0 | 0 | 114.3 | S1245 R1250 | S1245-T1248 PolarHBondContact O-N 3.23Å; S1245-T1248 PolarHBondContact O-OG1 3.48Å; T1248-R1250 VanDerWaalsContact C-N 3.29Å; T1248-R1250 PolarHBondContact O-N 3.43Å |
| 1249 | N | 46.4 | Very low | 45.7 | Very low | 77 Ų | 77 | 115 Ų | 115 | 41% | 0.412 | 61% | 0.606 | S | S | . | * | | | trans | -84.5 | 68.5 | 173.9 | -92.9 | 0.2 | 0 | 0 | 0 | 112.1 | D1251 E1252 | N1249-D1251 PolarHBondContact O-N 3.21Å; N1249-E1252 HydrophobicContact CB-CB 4.3Å; N1249-E1252 HydrophobicContact CB-CG 4.28Å; N1249-E1252 WeakPolarHBondContact CB-OE2 3.35Å; N1249-E1252 VanDerWaalsContact ND2-CD 3.28Å; N1249-E1252 PolarHBondContact ND2-OE2 3.15Å |
| 1250 | R | 49.4 | Very low | 46.5 | Very low | 181 Ų | 181 | 110.6 Ų | 110.6 | 68% | 0.683 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.3 | -35.9 | 166.6 | -179 | 178 | 168.8 | 112.1 | 4.1 | 111 | T1248 R1253 Q1254 | T1248-R1250 VanDerWaalsContact C-N 3.29Å; T1248-R1250 PolarHBondContact O-N 3.43Å; R1250-R1253 PolarHBondContact O-N 3.5Å; R1250-Q1254 PolarHBondContact O-N 3.02Å |
| 1251 | D | 54.8 | Low | 47.2 | Very low | 123 Ų | 123 | 108.8 Ų | 108.8 | 66% | 0.658 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -71 | -34.8 | -172.4 | -57.1 | -24.2 | 0 | 0 | 0 | 112.8 | N1249 R1253 Q1254 A1255 | N1249-D1251 PolarHBondContact O-N 3.21Å; D1251-R1253 VanDerWaalsContact C-N 3.35Å; D1251-R1253 PolarHBondContact O-N 3.26Å; D1251-Q1254 PolarHBondContact O-N 3Å; D1251-A1255 WeakPolarHBondContact O-CB 3.35Å; D1251-A1255 PolarHBondContact O-N 3.46Å |
| 1252 | E | 53.2 | Low | 47.9 | Very low | 119 Ų | 119 | 105.4 Ų | 105.4 | 56% | 0.556 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.8 | -37.7 | 172 | -75.5 | -173.6 | 127.1 | 0 | 0 | 112.2 | N1249 A1255 Q1256 | N1249-E1252 HydrophobicContact CB-CB 4.3Å; N1249-E1252 HydrophobicContact CB-CG 4.28Å; N1249-E1252 WeakPolarHBondContact CB-OE2 3.35Å; N1249-E1252 VanDerWaalsContact ND2-CD 3.28Å; N1249-E1252 PolarHBondContact ND2-OE2 3.15Å; E1252-A1255 PolarHBondContact O-N 3.22Å; E1252-Q1256 WeakPolarHBondContact O-CG 3.16Å; E1252-Q1256 PolarHBondContact O-N 3.46Å |
| 1253 | R | 50.1 | Low | 48.5 | Very low | 127 Ų | 127 | 97 Ų | 97 | 48% | 0.479 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.7 | -34.1 | 174.6 | -73.3 | -157.9 | -71.8 | -89.7 | 1.2 | 111.9 | S1246 R1250 D1251 Q1256 L1257 | S1246-R1253 PolarHBondContact O-NH1 3.25Å; R1250-R1253 PolarHBondContact O-N 3.5Å; D1251-R1253 VanDerWaalsContact C-N 3.35Å; D1251-R1253 PolarHBondContact O-N 3.26Å; R1253-Q1256 PolarHBondContact O-N 2.91Å; R1253-L1257 WeakPolarHBondContact O-CG 3.04Å; R1253-L1257 PolarHBondContact O-N 3.44Å |
| 1254 | Q | 51.6 | Low | 48.9 | Very low | 81 Ų | 81 | 99.3 Ų | 99.3 | 38% | 0.379 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.9 | -45.2 | 172.4 | -165.1 | 62.3 | 54.3 | 0 | 0 | 111 | R1250 D1251 Q1256 L1257 D1258 | R1250-Q1254 PolarHBondContact O-N 3.02Å; D1251-Q1254 PolarHBondContact O-N 3Å; Q1254-Q1256 VanDerWaalsContact C-N 3.31Å; Q1254-Q1256 PolarHBondContact O-N 3.15Å; Q1254-L1257 PolarHBondContact O-N 3.03Å; Q1254-L1257 VanDerWaalsContact O-N 3.11Å; Q1254-D1258 PolarHBondContact NE2-OD1 3.39Å; Q1254-D1258 WeakPolarHBondContact O-CB 3.29Å; Q1254-D1258 VanDerWaalsContact O-CG 3.29Å; Q1254-D1258 PolarHBondContact O-N 3.29Å |
| 1255 | A | 52.9 | Low | 49.5 | Very low | 49 Ų | 49 | 97.6 Ų | 97.6 | 41% | 0.405 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61 | -36.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | D1251 E1252 N1259 | D1251-A1255 WeakPolarHBondContact O-CB 3.35Å; D1251-A1255 PolarHBondContact O-N 3.46Å; E1252-A1255 PolarHBondContact O-N 3.22Å; A1255-N1259 VanDerWaalsContact O-CB 3.22Å; A1255-N1259 WeakPolarHBondContact O-CB 3.21Å; A1255-N1259 VanDerWaalsContact O-CG 3.22Å; A1255-N1259 PolarHBondContact O-N 2.95Å; A1255-N1259 PolarHBondContact O-ND2 3.28Å; A1255-N1259 VanDerWaalsContact O-ND2 3.15Å |
| 1256 | Q | 50.6 | Low | 49.9 | Very low | 143 Ų | 143 | 99 Ų | 99 | 67% | 0.668 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69.8 | -37.2 | 173 | -74.2 | -172.4 | 7 | 0 | 0 | 112.9 | E1252 R1253 Q1254 S1260 | E1252-Q1256 WeakPolarHBondContact O-CG 3.16Å; E1252-Q1256 PolarHBondContact O-N 3.46Å; R1253-Q1256 PolarHBondContact O-N 2.91Å; Q1254-Q1256 VanDerWaalsContact C-N 3.31Å; Q1254-Q1256 PolarHBondContact O-N 3.15Å; Q1256-S1260 WeakPolarHBondContact O-CB 3.24Å; Q1256-S1260 PolarHBondContact O-N 3.46Å |
| 1257 | L | 51.3 | Low | 50.3 | Low | 103 Ų | 103 | 103.9 Ų | 103.9 | 54% | 0.539 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.1 | -45.1 | 174.6 | -73.3 | 174 | 0 | 0 | 0 | 111.4 | R1253 Q1254 N1259 S1260 A1261 | R1253-L1257 WeakPolarHBondContact O-CG 3.04Å; R1253-L1257 PolarHBondContact O-N 3.44Å; Q1254-L1257 PolarHBondContact O-N 3.03Å; Q1254-L1257 VanDerWaalsContact O-N 3.11Å; L1257-N1259 VanDerWaalsContact C-N 3.35Å; L1257-N1259 PolarHBondContact O-N 3.29Å; L1257-S1260 WeakPolarHBondContact O-CA 3.39Å; L1257-S1260 WeakPolarHBondContact O-CB 3.36Å; L1257-S1260 PolarHBondContact O-N 3.31Å; L1257-S1260 PolarHBondContact O-OG 3.04Å; L1257-A1261 PolarHBondContact O-N 3.47Å |
| 1258 | D | 55.7 | Low | 50.6 | Low | 81 Ų | 81 | 103.8 Ų | 103.8 | 43% | 0.433 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.6 | -38.9 | 178.6 | -65.2 | -4.1 | 0 | 0 | 0 | 110.9 | Q1254 S1260 A1261 M1262 | Q1254-D1258 PolarHBondContact NE2-OD1 3.39Å; Q1254-D1258 WeakPolarHBondContact O-CB 3.29Å; Q1254-D1258 VanDerWaalsContact O-CG 3.29Å; Q1254-D1258 PolarHBondContact O-N 3.29Å; D1258-S1260 PolarHBondContact O-N 3.07Å; D1258-A1261 PolarHBondContact O-N 3.4Å; D1258-M1262 WeakPolarHBondContact O-CB 3.43Å; D1258-M1262 WeakPolarHBondContact O-CG 3.47Å; D1258-M1262 PolarHBondContact O-N 3.38Å |
| 1259 | N | 52.3 | Low | 50.4 | Low | 97 Ų | 97 | 107 Ų | 107 | 52% | 0.519 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.5 | -34.2 | 170.2 | -78 | -29.6 | 0 | 0 | 0 | 112.7 | A1255 L1257 M1262 A1263 | A1255-N1259 VanDerWaalsContact O-CB 3.22Å; A1255-N1259 WeakPolarHBondContact O-CB 3.21Å; A1255-N1259 VanDerWaalsContact O-CG 3.22Å; A1255-N1259 PolarHBondContact O-N 2.95Å; A1255-N1259 PolarHBondContact O-ND2 3.28Å; A1255-N1259 VanDerWaalsContact O-ND2 3.15Å; L1257-N1259 VanDerWaalsContact C-N 3.35Å; L1257-N1259 PolarHBondContact O-N 3.29Å; N1259-M1262 WeakPolarHBondContact OD1-CE 3.46Å; N1259-A1263 WeakPolarHBondContact O-CB 3.42Å; N1259-A1263 PolarHBondContact O-N 3.34Å |
| 1260 | S | 52.8 | Low | 50.2 | Low | 54 Ų | 54 | 108.5 Ų | 108.5 | 38% | 0.378 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69.4 | -40.3 | 174.4 | 79.9 | 0 | 0 | 0 | 0 | 111.9 | Q1256 L1257 D1258 A1263 F1264 | Q1256-S1260 WeakPolarHBondContact O-CB 3.24Å; Q1256-S1260 PolarHBondContact O-N 3.46Å; L1257-S1260 WeakPolarHBondContact O-CA 3.39Å; L1257-S1260 WeakPolarHBondContact O-CB 3.36Å; L1257-S1260 PolarHBondContact O-N 3.31Å; L1257-S1260 PolarHBondContact O-OG 3.04Å; D1258-S1260 PolarHBondContact O-N 3.07Å; S1260-A1263 PolarHBondContact O-N 3.48Å; S1260-F1264 WeakPolarHBondContact O-CD2 3.38Å; S1260-F1264 PolarHBondContact O-N 3.34Å |
| 1261 | A | 49.5 | Very low | 49.7 | Very low | 60 Ų | 60 | 105.7 Ų | 105.7 | 50% | 0.496 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.4 | -43.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1257 D1258 F1264 A1265 | L1257-A1261 PolarHBondContact O-N 3.47Å; D1258-A1261 PolarHBondContact O-N 3.4Å; A1261-F1264 PolarHBondContact O-N 3.15Å; A1261-A1265 WeakPolarHBondContact O-CB 3.47Å; A1261-A1265 PolarHBondContact O-N 3.36Å |
| 1262 | M | 49.9 | Very low | 49.1 | Very low | 99 Ų | 99 | 104.8 Ų | 104.8 | 49% | 0.488 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64 | -39.3 | 170.8 | -76 | -166.7 | -65.2 | 0 | 0 | 112.4 | D1258 N1259 F1264 A1265 L1266 | D1258-M1262 WeakPolarHBondContact O-CB 3.43Å; D1258-M1262 WeakPolarHBondContact O-CG 3.47Å; D1258-M1262 PolarHBondContact O-N 3.38Å; N1259-M1262 WeakPolarHBondContact OD1-CE 3.46Å; M1262-F1264 VanDerWaalsContact C-N 3.28Å; M1262-F1264 PolarHBondContact O-N 3Å; M1262-A1265 PolarHBondContact O-N 3.18Å; M1262-L1266 HydrophobicContact CB-CD1 4.43Å; M1262-L1266 VanDerWaalsContact O-CB 3.25Å; M1262-L1266 WeakPolarHBondContact O-CB 3.23Å; M1262-L1266 VanDerWaalsContact O-CG 3.31Å; M1262-L1266 WeakPolarHBondContact O-CG 3.49Å; M1262-L1266 PolarHBondContact O-N 3.49Å |
| 1263 | A | 52.2 | Low | 48.5 | Very low | 46 Ų | 46 | 108.8 Ų | 108.8 | 38% | 0.38 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.4 | -28.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N1259 S1260 R1267 | N1259-A1263 WeakPolarHBondContact O-CB 3.42Å; N1259-A1263 PolarHBondContact O-N 3.34Å; S1260-A1263 PolarHBondContact O-N 3.48Å; A1263-R1267 WeakPolarHBondContact O-CB 3.12Å; A1263-R1267 WeakPolarHBondContact O-CG 3.5Å; A1263-R1267 PolarHBondContact O-N 2.86Å |
| 1264 | F | 47.7 | Very low | 48 | Very low | 151 Ų | 151 | 110.5 Ų | 110.5 | 66% | 0.662 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -75 | -44.8 | 168.4 | -88 | -75 | 0 | 0 | 0 | 112 | S1260 A1261 M1262 L1266 | S1260-F1264 WeakPolarHBondContact O-CD2 3.38Å; S1260-F1264 PolarHBondContact O-N 3.34Å; A1261-F1264 PolarHBondContact O-N 3.15Å; M1262-F1264 VanDerWaalsContact C-N 3.28Å; M1262-F1264 PolarHBondContact O-N 3Å; F1264-L1266 PolarHBondContact O-N 3.08Å |
| 1265 | A | 50.8 | Low | 47.2 | Very low | 62 Ų | 62 | 121.5 Ų | 121.5 | 51% | 0.512 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -67.4 | -31.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | A1261 M1262 | A1261-A1265 WeakPolarHBondContact O-CB 3.47Å; A1261-A1265 PolarHBondContact O-N 3.36Å; M1262-A1265 PolarHBondContact O-N 3.18Å |
| 1266 | L | 48.8 | Very low | 46.9 | Very low | 104 Ų | 104 | 125.1 Ų | 125.1 | 55% | 0.545 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -89.3 | -19.5 | -179.5 | -67.7 | 173.4 | 0 | 0 | 0 | 113.5 | M1262 F1264 D1268 F1269 | M1262-L1266 HydrophobicContact CB-CD1 4.43Å; M1262-L1266 VanDerWaalsContact O-CB 3.25Å; M1262-L1266 WeakPolarHBondContact O-CB 3.23Å; M1262-L1266 VanDerWaalsContact O-CG 3.31Å; M1262-L1266 WeakPolarHBondContact O-CG 3.49Å; M1262-L1266 PolarHBondContact O-N 3.49Å; F1264-L1266 PolarHBondContact O-N 3.08Å; L1266-D1268 PolarHBondContact O-N 3.37Å; L1266-F1269 PolarHBondContact O-N 2.78Å; L1266-F1269 VanDerWaalsContact O-N 3.1Å |
| 1267 | R | 47.5 | Very low | 46.7 | Very low | 172 Ų | 172 | 124.2 Ų | 124.2 | 65% | 0.649 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -60.2 | -29.9 | 176.5 | -106.5 | -177.6 | 171.8 | 132 | 1 | 112.9 | A1263 F1269 | A1263-R1267 WeakPolarHBondContact O-CB 3.12Å; A1263-R1267 WeakPolarHBondContact O-CG 3.5Å; A1263-R1267 PolarHBondContact O-N 2.86Å; R1267-F1269 VanDerWaalsContact C-N 3.29Å; R1267-F1269 PolarHBondContact O-N 3.39Å |
| 1268 | D | 47.8 | Very low | 46.5 | Very low | 139 Ų | 139 | 125.3 Ų | 125.3 | 74% | 0.743 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -5.1 | -179.9 | -69.2 | -8.1 | 0 | 0 | 0 | 113.5 | L1266 | L1266-D1268 PolarHBondContact O-N 3.37Š|
| 1269 | F | 43.6 | Very low | 45.9 | Very low | 179 Ų | 179 | 127.9 Ų | 127.9 | 79% | 0.785 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.4 | 1.2 | -176.3 | -78.9 | -72.4 | 0 | 0 | 0 | 116 | L1266 R1267 | L1266-F1269 PolarHBondContact O-N 2.78Å; L1266-F1269 VanDerWaalsContact O-N 3.1Å; R1267-F1269 VanDerWaalsContact C-N 3.29Å; R1267-F1269 PolarHBondContact O-N 3.39Å |
| 1270 | T | 41.8 | Very low | 45.5 | Very low | 109 Ų | 109 | 129.9 Ų | 129.9 | 67% | 0.669 | 66% | 0.663 | S | S | * | * | | | trans | -115.8 | 16.9 | -179.8 | 69.4 | 0 | 0 | 0 | 0 | 115.3 | P1272 | T1270-P1272 VanDerWaalsContact O-CD 3.23Å; T1270-P1272 WeakPolarHBondContact O-CD 3.32Å |
| 1271 | V | 39 | Very low | 45 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 73% | 0.733 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -78 | 109.5 | 161.5 | -175.8 | 0 | 0 | 0 | 0 | 107.1 | | |
| 1272 | P | 41.7 | Very low | 44.7 | Very low | 105 Ų | 105 | 140.3 Ų | 140.3 | 68% | 0.682 | 70% | 0.696 | S | S | * | * | | | trans | -66.3 | 147.1 | -176.9 | -16 | 31.7 | 0 | 0 | 0 | 109.7 | T1270 I1274 | T1270-P1272 VanDerWaalsContact O-CD 3.23Å; T1270-P1272 WeakPolarHBondContact O-CD 3.32Å; P1272-I1274 PolarHBondContact O-N 3.22Å |
| 1273 | K | 40.7 | Very low | 44.3 | Very low | 202 Ų | 202 | 143.5 Ų | 143.5 | 88% | 0.878 | 71% | 0.712 | S | S | * | * | | | trans | -46.9 | 106.1 | 169.8 | -66.8 | 170.2 | 178.4 | 175.3 | 0 | 109.8 | R1275 | K1273-R1275 PolarHBondContact O-N 3.18Š|
| 1274 | I | 40.3 | Very low | 43.7 | Very low | 163 Ų | 163 | 151.6 Ų | 151.6 | 84% | 0.836 | 74% | 0.739 | S | S | * | * | | | trans | -62.1 | 125.4 | 159.6 | -62.3 | 176 | 0 | 0 | 0 | 105.3 | P1272 | P1272-I1274 PolarHBondContact O-N 3.22Š|
| 1275 | R | 34.2 | Very low | 43.3 | Very low | 312 Ų | 312 | 151.6 Ų | 151.6 | 100% | 1.177 | 75% | 0.746 | S | S | * | * | | | trans | -76.7 | 0 | 179.1 | -75.6 | 178.5 | 170.6 | 165.9 | -4 | 111 | K1273 | K1273-R1275 PolarHBondContact O-N 3.18Š|