| 1 | M | 41.8 | Very low | 30.2 | Very low | 234 Ų | 234 | 156.2 Ų | 156.2 | 100% | 1.153 | 85% | 0.85 | S | S | * | * | | | | 0 | 140.8 | 0 | -71.8 | -57.9 | -175 | 0 | 0 | 108.1 | | |
| 2 | P | 41 | Very low | 30 | Very low | 109 Ų | 109 | 149.6 Ų | 149.6 | 71% | 0.708 | 85% | 0.845 | S | S | * | * | | | cis | -115 | 172.2 | 10.1 | 40.8 | -31.3 | 0 | 0 | 0 | 115.2 | | |
| 3 | L | 28.2 | Very low | 29.7 | Very low | 153 Ų | 153 | 147.8 Ų | 147.8 | 80% | 0.801 | 85% | 0.849 | S | S | * | * | | | trans | 47.1 | 113.8 | 146.7 | -66.8 | 162.7 | 0 | 0 | 0 | 121 | | |
| 4 | F | 26.5 | Very low | 29.5 | Very low | 212 Ų | 212 | 149 Ų | 149 | 93% | 0.93 | 85% | 0.846 | S | S | * | * | | | trans | -93.2 | 143.1 | 157.4 | -99.9 | -96.3 | 0 | 0 | 0 | 110.8 | | |
| 5 | I | 31.4 | Very low | 29.6 | Very low | 137 Ų | 137 | 155.5 Ų | 155.5 | 70% | 0.703 | 85% | 0.851 | S | S | * | * | | | trans | -138.1 | 142.7 | 167.5 | -68.9 | -176.4 | 0 | 0 | 0 | 109.6 | | |
| 6 | Q | 28.7 | Very low | 29.5 | Very low | 169 Ų | 169 | 154.4 Ų | 154.4 | 79% | 0.79 | 84% | 0.844 | S | S | * | * | | | trans | 64.7 | 119.1 | 168.1 | -79.5 | 172.2 | -81.8 | 0 | 0 | 121.2 | | |
| 7 | C | 28.9 | Very low | 29.4 | Very low | 112 Ų | 112 | 157.6 Ų | 157.6 | 76% | 0.757 | 84% | 0.841 | S | S | * | * | | | | 38.1 | 120.7 | 123.7 | -54.5 | 0 | 0 | 0 | 0 | 120.5 | | |
| 8 | S | 26.6 | Very low | 29.3 | Very low | 125 Ų | 125 | 157.1 Ų | 157.1 | 87% | 0.874 | 84% | 0.835 | S | S | * | * | | | trans | -153.6 | 156.8 | 139.1 | -86.9 | 0 | 0 | 0 | 0 | 112 | | |
| 9 | C | 27 | Very low | 29.3 | Very low | 125 Ų | 125 | 156 Ų | 156 | 85% | 0.845 | 83% | 0.829 | S | S | * | * | | | trans | -62.3 | 159.7 | -176.4 | -52.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 10 | W | 26.8 | Very low | 29.2 | Very low | 266 Ų | 266 | 154.6 Ų | 154.6 | 100% | 1.008 | 83% | 0.831 | S | S | * | * | | | trans | -115.4 | 125.7 | 159 | -116.3 | 36.9 | 0 | 0 | 0 | 110.3 | | |
| 11 | G | 25.7 | Very low | 29.3 | Very low | 76 Ų | 76 | 155 Ų | 155 | 78% | 0.784 | 83% | 0.827 | S | S | * | * | | | trans | -150.3 | 149.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 12 | G | 27.4 | Very low | 28.7 | Very low | 77 Ų | 77 | 152.5 Ų | 152.5 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | | | trans | 87.7 | 149 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 13 | S | 25.7 | Very low | 28.2 | Very low | 127 Ų | 127 | 157.3 Ų | 157.3 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | | | cis | -142.2 | 162.7 | 19.3 | -167.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 14 | M | 27.6 | Very low | 28.2 | Very low | 164 Ų | 164 | 158 Ų | 158 | 81% | 0.808 | 82% | 0.821 | S | S | * | * | | | trans | -68.9 | 159.4 | 179.4 | -65.2 | 176 | 166.7 | 0 | 0 | 113.4 | | |
| 15 | R | 31.3 | Very low | 28.4 | Very low | 247 Ų | 247 | 155.4 Ų | 155.4 | 93% | 0.932 | 81% | 0.814 | S | S | * | * | | | trans | -152.2 | 132.9 | 141.5 | -127.8 | 169.9 | -70.6 | -161 | 1.9 | 111.6 | | |
| 16 | N | 27.6 | Very low | 28.3 | Very low | 137 Ų | 137 | 153.8 Ų | 153.8 | 73% | 0.733 | 82% | 0.821 | S | S | * | * | | | trans | -75.4 | 146.5 | -177 | -59.8 | -25.9 | 0 | 0 | 0 | 111.9 | | |
| 17 | R | 27.8 | Very low | 28.3 | Very low | 210 Ų | 210 | 151.8 Ų | 151.8 | 79% | 0.792 | 82% | 0.82 | S | S | * | * | | | | -178.4 | 134 | 109.7 | -102.9 | 177.4 | 165.9 | -162.5 | -4.5 | 115.9 | | |
| 18 | M | 27.2 | Very low | 28.4 | Very low | 147 Ų | 147 | 152.5 Ų | 152.5 | 72% | 0.724 | 83% | 0.826 | S | S | * | * | | | trans | 76.6 | 125.4 | 137.7 | -72.2 | 158.2 | 167.6 | 0 | 0 | 120.9 | | |
| 19 | D | 29.3 | Very low | 28.6 | Very low | 137 Ų | 137 | 150.7 Ų | 150.7 | 73% | 0.733 | 82% | 0.819 | S | S | * | * | | | trans | -54.6 | 153.2 | 167.7 | -63.1 | -115.6 | 0 | 0 | 0 | 114.7 | | |
| 20 | C | 28.1 | Very low | 28.9 | Very low | 127 Ų | 127 | 151.3 Ų | 151.3 | 86% | 0.858 | 82% | 0.819 | S | S | * | * | | | trans | -138.1 | 93 | 148.3 | -141.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 21 | Q | 29.8 | Very low | 29.2 | Very low | 163 Ų | 163 | 143.7 Ų | 143.7 | 76% | 0.762 | 81% | 0.813 | S | S | * | * | | | trans | -69.2 | 135 | 172.3 | -63 | 178.4 | 5.5 | 0 | 0 | 109.5 | | |
| 22 | H | 29.2 | Very low | 29.6 | Very low | 183 Ų | 183 | 150.3 Ų | 150.3 | 85% | 0.847 | 82% | 0.82 | S | S | * | * | | | trans | -124.9 | 126 | 164.9 | -117.7 | -93.9 | 0 | 0 | 0 | 111.3 | | |
| 23 | R | 31.1 | Very low | 29.8 | Very low | 209 Ų | 209 | 151 Ų | 151 | 79% | 0.789 | 82% | 0.818 | S | S | * | * | | | trans | -79.4 | 142.4 | -175.7 | -75.2 | 172.3 | 161.8 | 170.5 | -7.9 | 111.4 | | |
| 24 | N | 28.8 | Very low | 30 | Very low | 167 Ų | 167 | 150.8 Ų | 150.8 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | | | trans | -65.4 | 135.8 | 152.7 | -73.7 | -36.7 | 0 | 0 | 0 | 109.4 | | |
| 25 | M | 29.9 | Very low | 30.1 | Very low | 159 Ų | 159 | 147.2 Ų | 147.2 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | | | trans | -134 | 116.8 | 162.4 | -86.6 | -171.2 | 158.9 | 0 | 0 | 109.3 | | |
| 26 | A | 29 | Very low | 30.2 | Very low | 103 Ų | 103 | 145.4 Ų | 145.4 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | | | trans | -83.7 | 139.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 27 | V | 30.3 | Very low | 30.5 | Very low | 126 Ų | 126 | 146.8 Ų | 146.8 | 76% | 0.764 | 80% | 0.803 | S | S | * | * | | | trans | -129.9 | 108.4 | 174.9 | 179.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 28 | S | 29.7 | Very low | 30.6 | Very low | 127 Ų | 127 | 143.9 Ų | 143.9 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | | | trans | -94.4 | 120.7 | 167.5 | -63.7 | 0 | 0 | 0 | 0 | 109 | | |
| 29 | A | 32.2 | Very low | 30.9 | Very low | 88 Ų | 88 | 141.8 Ų | 141.8 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | | | trans | -129.5 | 97 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 30 | T | 32.7 | Very low | 31.1 | Very low | 137 Ų | 137 | 142.2 Ų | 142.2 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | | | trans | -18.1 | 127.7 | 165.5 | 52.7 | 0 | 0 | 0 | 0 | 117.3 | | |
| 31 | A | 32.1 | Very low | 31.5 | Very low | 107 Ų | 107 | 141.1 Ų | 141.1 | 88% | 0.884 | 81% | 0.811 | S | S | * | * | | | trans | -66.8 | 150.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 32 | K | 34.4 | Very low | 31.6 | Very low | 215 Ų | 215 | 136.7 Ų | 136.7 | 94% | 0.935 | 81% | 0.808 | S | S | * | * | | | trans | -142.1 | 135.4 | 169.3 | -149.2 | 168.7 | -172.1 | 174.4 | 0 | 109.5 | | |
| 33 | A | 31.8 | Very low | 32.3 | Very low | 90 Ų | 90 | 132.2 Ų | 132.2 | 74% | 0.744 | 81% | 0.812 | S | S | * | * | | | trans | -101.6 | 178.7 | -163.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 34 | S | 30.8 | Very low | 32.6 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | | | trans | 96.2 | 139.5 | 178.7 | -45.4 | 0 | 0 | 0 | 0 | 114 | | |
| 35 | S | 28.2 | Very low | 33.1 | Very low | 89 Ų | 89 | 130.2 Ų | 130.2 | 62% | 0.622 | 81% | 0.812 | S | S | * | * | | | cis | -166.8 | 142.7 | -2.2 | 130 | 0 | 0 | 0 | 0 | 113.3 | | |
| 36 | R | 33.8 | Very low | 33 | Very low | 210 Ų | 210 | 128.6 Ų | 128.6 | 79% | 0.792 | 82% | 0.815 | S | S | * | * | | | trans | 71.6 | 123.4 | 149.9 | -71.5 | 175.2 | -179.5 | -175.1 | 0.2 | 121.8 | | |
| 37 | H | 33.9 | Very low | 33.1 | Very low | 166 Ų | 166 | 129 Ų | 129 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | | | trans | 54.3 | 149.9 | 139 | -48.8 | -56 | 0 | 0 | 0 | 120 | | |
| 38 | N | 30.4 | Very low | 33.1 | Very low | 148 Ų | 148 | 132 Ų | 132 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | | | cis | -147.2 | 172.5 | 16.2 | -147.8 | 8.5 | 0 | 0 | 0 | 113.3 | | |
| 39 | S | 33.3 | Very low | 33.3 | Very low | 103 Ų | 103 | 133.9 Ų | 133.9 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | | | trans | -68.5 | 154.1 | -175 | -45 | 0 | 0 | 0 | 0 | 115.8 | | |
| 40 | T | 33.4 | Very low | 33.7 | Very low | 147 Ų | 147 | 134.9 Ų | 134.9 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | | | | -171 | 158.4 | 125.5 | -74.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 41 | A | 36 | Very low | 34 | Very low | 104 Ų | 104 | 134 Ų | 134 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | | | trans | -72.2 | 154.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 42 | G | 31.9 | Very low | 34.5 | Very low | 69 Ų | 69 | 134.5 Ų | 134.5 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | | | trans | -176.6 | 95.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V44 | G42-V44 PolarHBondContact O-N 3.43Š|
| 43 | G | 44.6 | Very low | 35 | Very low | 90 Ų | 90 | 130.4 Ų | 130.4 | 93% | 0.928 | 78% | 0.783 | S | S | * | * | | | trans | -79.3 | 114.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 44 | V | 36.9 | Very low | 35.5 | Very low | 135 Ų | 135 | 131.5 Ų | 131.5 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -123.3 | 128.9 | 173.4 | -178.7 | 0 | 0 | 0 | 0 | 108.9 | G42 C46 | G42-V44 PolarHBondContact O-N 3.43Å; V44-C46 PolarHBondContact O-N 3.21Å; V44-C46 VanDerWaalsContact O-N 3.15Å |
| 45 | K | 39.7 | Very low | 37.4 | Very low | 198 Ų | 198 | 132.3 Ų | 132.3 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | | | trans | -64.6 | 112.2 | 167.5 | -82.2 | -176.9 | 172.6 | -178.8 | 0 | 108.4 | C47 | K45-C47 PolarHBondContact O-N 3.34Š|
| 46 | C | 27.7 | Very low | 39.7 | Very low | 125 Ų | 125 | 131.7 Ų | 131.7 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | | | trans | -70.8 | 117.6 | 161.6 | -160.4 | 0 | 0 | 0 | 0 | 107.6 | V44 | V44-C46 PolarHBondContact O-N 3.21Å; V44-C46 VanDerWaalsContact O-N 3.15Å |
| 47 | C | 31.9 | Very low | 41.8 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 76% | 0.757 | 74% | 0.741 | S | S | * | * | | | trans | -70.3 | 133.3 | 164.9 | -67.5 | 0 | 0 | 0 | 0 | 107.9 | K45 E49 | K45-C47 PolarHBondContact O-N 3.34Å; C47-E49 PolarHBondContact O-N 3.35Å |
| 48 | E | 30.6 | Very low | 44.1 | Very low | 190 Ų | 190 | 120.6 Ų | 120.6 | 89% | 0.888 | 72% | 0.716 | S | S | * | * | | | trans | -67.2 | 108.8 | 171.1 | -69 | -161.8 | 129.9 | 0 | 0 | 109.6 | P50 | E48-P50 WeakPolarHBondContact O-CD 3.46Š|
| 49 | E | 33.5 | Very low | 46.5 | Very low | 166 Ų | 166 | 118.2 Ų | 118.2 | 78% | 0.776 | 70% | 0.698 | S | S | * | * | | | trans | -58.5 | 118.2 | 162.9 | -101.2 | -77.4 | 98.1 | 0 | 0 | 108.7 | C47 V51 | C47-E49 PolarHBondContact O-N 3.35Å; E49-V51 PolarHBondContact O-N 3.36Å |
| 50 | P | 39.4 | Very low | 48.8 | Very low | 109 Ų | 109 | 113.4 Ų | 113.4 | 71% | 0.708 | 67% | 0.665 | S | S | * | * | | | trans | -72.5 | 97.2 | -179.3 | 29.1 | -33.1 | 0 | 0 | 0 | 109.6 | E48 | E48-P50 WeakPolarHBondContact O-CD 3.46Š|
| 51 | V | 39 | Very low | 51.1 | Low | 119 Ų | 119 | 109.8 Ų | 109.8 | 72% | 0.721 | 64% | 0.642 | S | S | * | * | | | trans | -32.2 | 123.2 | 179.3 | 178.4 | 0 | 0 | 0 | 0 | 111.6 | E49 Q53 | E49-V51 PolarHBondContact O-N 3.36Å; V51-Q53 PolarHBondContact O-N 3.05Å |
| 52 | P | 43.2 | Very low | 52.9 | Low | 117 Ų | 117 | 108.6 Ų | 108.6 | 76% | 0.76 | 62% | 0.62 | S | S | * | * | | | trans | -58.8 | 110.1 | -173.4 | 22.3 | -33.4 | 0 | 0 | 0 | 110.3 | C54 | P52-C54 PolarHBondContact O-N 3.22Š|
| 53 | Q | 46 | Very low | 55 | Low | 129 Ų | 129 | 111.5 Ų | 111.5 | 60% | 0.603 | 62% | 0.618 | S | S | * | * | | | trans | -62.1 | 112.6 | -179 | -67 | 174.5 | -10.5 | 0 | 0 | 108.8 | V51 R55 | V51-Q53 PolarHBondContact O-N 3.05Å; Q53-R55 PolarHBondContact O-N 3.07Å |
| 54 | C | 42.3 | Very low | 56.6 | Low | 113 Ų | 113 | 111.7 Ų | 111.7 | 76% | 0.764 | 60% | 0.595 | S | S | * | * | | | trans | -65.8 | 98.5 | 177.6 | -164.7 | 0 | 0 | 0 | 0 | 109.2 | P52 E56 | P52-C54 PolarHBondContact O-N 3.22Å; C54-E56 PolarHBondContact O-N 3.01Å |
| 55 | R | 68.8 | Low | 58.4 | Low | 140 Ų | 140 | 105.3 Ų | 105.3 | 53% | 0.528 | 56% | 0.556 | S | S | . | * | | | trans | -84.6 | 108.7 | -179.6 | -75.8 | 167.8 | 176.1 | -174.2 | 2.9 | 108.6 | Q53 I57 Q117 L119 | Q53-R55 PolarHBondContact O-N 3.07Å; R55-I57 PolarHBondContact O-N 3.27Å; R55-Q117 HydrophobicContact CG-CB 4.49Å; R55-L119 HydrophobicContact CB-CD1 4.03Å; R55-L119 HydrophobicContact CG-CD1 4.29Å |
| 56 | E | 77.6 | Confident | 59.8 | Low | 76 Ų | 76 | 99.2 Ų | 99.2 | 36% | 0.355 | 54% | 0.536 | S | S | . | . | | | trans | -74.5 | 103.7 | -178.7 | -171.7 | -170.6 | 150.4 | 0 | 0 | 109.4 | C54 I58 S116 K118 L119 | C54-E56 PolarHBondContact O-N 3.01Å; E56-I58 HydrophobicContact CG-CG1 4.17Å; E56-I58 PolarHBondContact O-N 3.25Å; E56-S116 PolarHBondContact OE2-OG 3.49Å; E56-K118 HydrophobicContact CB-CG 4.36Å; E56-K118 WeakPolarHBondContact O-CA 3.33Å; E56-K118 IonicContact OE1-NZ 2.66Å; E56-K118 PolarHBondContact OE1-NZ 3.19Å; E56-K118 IonicContact OE2-NZ 2.73Å; E56-K118 PolarHBondContact OE2-NZ 3.24Å; E56-L119 PolarHBondContact O-N 3.49Å |
| 57 | I | 78.6 | Confident | 62.1 | Low | 97 Ų | 97 | 99.3 Ų | 99.3 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 108.4 | 176.7 | -58.7 | 179.9 | 0 | 0 | 0 | 109 | R55 L119 C121 | R55-I57 PolarHBondContact O-N 3.27Å; I57-L119 CarbonylContact C-O 3.59Å; I57-L119 WeakPolarHBondContact CA-O 3.24Å; I57-L119 HydrophobicContact CG1-CB 4.42Å; I57-C121 VanDerWaalsContact CG2-SG 3.56Å |
| 58 | I | 80.8 | Confident | 63.4 | Low | 46 Ų | 46 | 102.1 Ų | 102.1 | 24% | 0.236 | 52% | 0.524 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 123.5 | 176.5 | -56.1 | -177.4 | 0 | 0 | 0 | 108.4 | E56 P60 K118 L119 Y120 C121 | E56-I58 HydrophobicContact CG-CG1 4.17Å; E56-I58 PolarHBondContact O-N 3.25Å; I58-P60 WeakPolarHBondContact O-CD 3.25Å; I58-K118 HydrophobicContact CD1-CB 3.94Å; I58-K118 HydrophobicContact CD1-CD 3.74Å; I58-K118 HydrophobicContact CD1-CG 3.83Å; I58-L119 PolarHBondContact N-O 3.12Å; I58-Y120 HydrophobicContact CB-CD1 4.06Å; I58-Y120 HydrophobicContact CB-CE1 4.19Å; I58-Y120 HydrophobicContact CD1-CE1 4Å; I58-Y120 HydrophobicContact CG2-CD1 4.2Å; I58-Y120 HydrophobicContact CG2-CE1 4.23Å; I58-Y120 WeakPolarHBondContact O-CA 3.45Å; I58-C121 PolarHBondContact O-N 3.48Å |
| 59 | K | 80.6 | Confident | 64.8 | Low | 98 Ų | 98 | 97.7 Ų | 97.7 | 43% | 0.426 | 51% | 0.51 | S | S | . | . | | | trans | -92 | 90.1 | 161.3 | -78.4 | -170.4 | 171.3 | -171.5 | 0 | 108.1 | C121 E125 | K59-C121 HydrophobicContact CG-CB 4.18Å; K59-E125 IonicContact NZ-OE1 2.62Å; K59-E125 PolarHBondContact NZ-OE1 3Å; K59-E125 IonicContact NZ-OE2 3.44Å; K59-E125 PolarHBondContact NZ-OE2 3.13Å |
| 60 | P | 81.8 | Confident | 66 | Low | 2 Ų | 2 | 98.8 Ų | 98.8 | 1% | 0.013 | 51% | 0.507 | C | S | . | . | | | trans | -61.5 | 139.6 | 175.1 | 27.2 | -35.7 | 0 | 0 | 0 | 110.2 | I58 L65 Y120 C121 P123 F138 V141 | I58-P60 WeakPolarHBondContact O-CD 3.25Å; P60-L65 HydrophobicContact CB-CD2 4.09Å; P60-L65 HydrophobicContact CB-CG 4.33Å; P60-L65 HydrophobicContact CG-CD1 4.31Å; P60-L65 HydrophobicContact CG-CD2 3.94Å; P60-L65 HydrophobicContact CG-CG 4.32Å; P60-Y120 HydrophobicContact CG-CD1 4.36Å; P60-C121 WeakPolarHBondContact CD-O 3Å; P60-P123 WeakPolarHBondContact O-CB 3.49Å; P60-P123 WeakPolarHBondContact O-CG 3.46Å; P60-F138 HydrophobicContact CB-CD2 4.06Å; P60-F138 HydrophobicContact CB-CE2 3.68Å; P60-F138 HydrophobicContact CG-CD2 4.36Å; P60-F138 HydrophobicContact CG-CE2 4.33Å; P60-V141 HydrophobicContact CG-CG1 3.96Å |
| 61 | T | 82.4 | Confident | 67 | Low | 71 Ų | 71 | 98.1 Ų | 98.1 | 44% | 0.436 | 50% | 0.501 | S | S | . | . | | | trans | -67 | 154.7 | -177.8 | 63 | 0 | 0 | 0 | 0 | 111.7 | I63 E64 L65 | T61-I63 PolarHBondContact O-N 3.2Å; T61-E64 WeakPolarHBondContact CB-OE2 3.33Å; T61-E64 WeakPolarHBondContact CG2-OE2 3.29Å; T61-E64 PolarHBondContact N-OE2 3.08Å; T61-E64 PolarHBondContact O-N 3.22Å; T61-E64 VanDerWaalsContact O-N 3.1Å; T61-E64 VanDerWaalsContact OG1-CG 3.3Å; T61-E64 WeakPolarHBondContact OG1-CG 3.48Å; T61-E64 PolarHBondContact OG1-N 3.03Å; T61-E64 PolarHBondContact OG1-OE2 3.39Å; T61-L65 WeakPolarHBondContact O-CG 3.24Å; T61-L65 PolarHBondContact O-N 2.92Å; T61-L65 VanDerWaalsContact O-N 3.13Å |
| 62 | I | 74.4 | Confident | 68.4 | Low | 78 Ų | 78 | 97.8 Ų | 97.8 | 40% | 0.4 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -52 | -39.7 | 171.7 | -72.3 | 175.1 | 0 | 0 | 0 | 110.8 | L65 T66 P123 Y145 | I62-L65 PolarHBondContact O-N 3.04Å; I62-T66 HydrophobicContact CG2-CG2 4.08Å; I62-T66 WeakPolarHBondContact O-CG2 3.37Å; I62-T66 PolarHBondContact O-N 3.05Å; I62-T66 PolarHBondContact O-OG1 3.21Å; I62-P123 HydrophobicContact CG1-CB 4.48Å; I62-P123 HydrophobicContact CG1-CG 3.95Å; I62-Y145 HydrophobicContact CG1-CE2 4.01Å; I62-Y145 WeakPolarHBondContact CG2-OH 2.97Å |
| 63 | I | 75.1 | Confident | 70.2 | Confident | 130 Ų | 130 | 94.4 Ų | 94.4 | 67% | 0.667 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.4 | -43 | 179.7 | -59.6 | 174.1 | 0 | 0 | 0 | 111.3 | T61 L65 T66 K67 | T61-I63 PolarHBondContact O-N 3.2Å; I63-L65 VanDerWaalsContact C-N 3.32Å; I63-L65 PolarHBondContact O-N 3.1Å; I63-T66 PolarHBondContact O-N 2.77Å; I63-T66 PolarHBondContact O-OG1 3.5Å; I63-K67 WeakPolarHBondContact O-CA 3.47Å; I63-K67 WeakPolarHBondContact O-CB 3.42Å; I63-K67 PolarHBondContact O-N 3.3Å |
| 64 | E | 79.4 | Confident | 72 | Confident | 95 Ų | 95 | 93.1 Ų | 93.1 | 44% | 0.444 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.5 | -34.4 | 176.5 | -70.2 | 161.7 | 118.9 | 0 | 0 | 112.5 | T61 F138 | T61-E64 WeakPolarHBondContact CB-OE2 3.33Å; T61-E64 WeakPolarHBondContact CG2-OE2 3.29Å; T61-E64 PolarHBondContact N-OE2 3.08Å; T61-E64 PolarHBondContact O-N 3.22Å; T61-E64 VanDerWaalsContact O-N 3.1Å; T61-E64 VanDerWaalsContact OG1-CG 3.3Å; T61-E64 WeakPolarHBondContact OG1-CG 3.48Å; T61-E64 PolarHBondContact OG1-N 3.03Å; T61-E64 PolarHBondContact OG1-OE2 3.39Å; E64-F138 HydrophobicContact CB-CE2 4.32Å; E64-F138 HydrophobicContact CB-CZ 4.22Å |
| 65 | L | 74.6 | Confident | 74 | Confident | 0 Ų | 0 | 88.2 Ų | 88.2 | 0% | 0 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -75.5 | -37.5 | 177.6 | -60.2 | -179.9 | 0 | 0 | 0 | 112.4 | P60 T61 I62 I63 P123 F138 V141 K142 Y145 | P60-L65 HydrophobicContact CB-CD2 4.09Å; P60-L65 HydrophobicContact CB-CG 4.33Å; P60-L65 HydrophobicContact CG-CD1 4.31Å; P60-L65 HydrophobicContact CG-CD2 3.94Å; P60-L65 HydrophobicContact CG-CG 4.32Å; T61-L65 WeakPolarHBondContact O-CG 3.24Å; T61-L65 PolarHBondContact O-N 2.92Å; T61-L65 VanDerWaalsContact O-N 3.13Å; I62-L65 PolarHBondContact O-N 3.04Å; I63-L65 VanDerWaalsContact C-N 3.32Å; I63-L65 PolarHBondContact O-N 3.1Å; L65-P123 HydrophobicContact CD1-CG 3.71Å; L65-F138 HydrophobicContact CD2-CD2 4.39Å; L65-F138 HydrophobicContact CD2-CE2 3.77Å; L65-F138 HydrophobicContact CD2-CZ 3.87Å; L65-V141 HydrophobicContact CD1-CG1 3.63Å; L65-V141 HydrophobicContact CD2-CB 4.4Å; L65-V141 HydrophobicContact CD2-CG1 3.71Å; L65-V141 HydrophobicContact CG-CG1 4.34Å; L65-K142 HydrophobicContact CD2-CB 4.14Å; L65-K142 WeakPolarHBondContact O-CE 3.3Å; L65-K142 WeakPolarHBondContact O-CG 3.35Å; L65-K142 PolarHBondContact O-NZ 3.44Å; L65-Y145 HydrophobicContact CB-CD1 4.11Å; L65-Y145 HydrophobicContact CB-CG 4.1Å; L65-Y145 HydrophobicContact CD1-CD2 3.78Å; L65-Y145 HydrophobicContact CD1-CG 3.86Å |
| 66 | T | 68.9 | Low | 74.8 | Confident | 70 Ų | 70 | 87.1 Ų | 87.1 | 43% | 0.429 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -82.6 | -23.2 | 176.5 | 59.4 | 0 | 0 | 0 | 0 | 113.5 | I62 I63 E68 Y145 | I62-T66 HydrophobicContact CG2-CG2 4.08Å; I62-T66 WeakPolarHBondContact O-CG2 3.37Å; I62-T66 PolarHBondContact O-N 3.05Å; I62-T66 PolarHBondContact O-OG1 3.21Å; I63-T66 PolarHBondContact O-N 2.77Å; I63-T66 PolarHBondContact O-OG1 3.5Å; T66-E68 PolarHBondContact O-N 2.89Å; T66-Y145 HydrophobicContact CG2-CE1 3.66Å |
| 67 | K | 75.1 | Confident | 75 | Confident | 128 Ų | 128 | 85.2 Ų | 85.2 | 56% | 0.557 | 44% | 0.436 | S | S | * | . | | | trans | -47 | 114.9 | 179.8 | -175 | 170.3 | -173.1 | 174.1 | 0 | 110.4 | I63 K142 | I63-K67 WeakPolarHBondContact O-CA 3.47Å; I63-K67 WeakPolarHBondContact O-CB 3.42Å; I63-K67 PolarHBondContact O-N 3.3Å; K67-K142 PolarHBondContact O-NZ 3.21Å |
| 68 | E | 60 | Low | 74.7 | Confident | 171 Ų | 171 | 89.7 Ų | 89.7 | 80% | 0.799 | 46% | 0.455 | S | S | * | . | | | trans | -59.6 | 141.8 | 179.7 | -67 | 176.8 | 146.9 | 0 | 0 | 109.3 | T66 R70 | T66-E68 PolarHBondContact O-N 2.89Å; E68-R70 PolarHBondContact O-N 3.16Å |
| 69 | V | 60.2 | Low | 74.5 | Confident | 96 Ų | 96 | 91.8 Ų | 91.8 | 58% | 0.582 | 49% | 0.488 | S | S | * | . | | | trans | -66.1 | 108.5 | 168.8 | 177.7 | 0 | 0 | 0 | 0 | 105.1 | T71 | V69-T71 VanDerWaalsContact C-N 3.33Å; V69-T71 PolarHBondContact O-N 3.07Å |
| 70 | R | 57.1 | Low | 74.6 | Confident | 189 Ų | 189 | 88 Ų | 88 | 71% | 0.713 | 47% | 0.474 | S | S | * | . | | | trans | -56.6 | 100.5 | 175.7 | -77.7 | -177.5 | 172.1 | 161 | -5 | 108.5 | E68 I73 | E68-R70 PolarHBondContact O-N 3.16Å; R70-I73 VanDerWaalsContact O-CG1 3.27Å; R70-I73 WeakPolarHBondContact O-CG1 3.27Å |
| 71 | T | 61.8 | Low | 74.6 | Confident | 96 Ų | 96 | 90.6 Ų | 90.6 | 59% | 0.589 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -58.9 | 148.6 | 153.9 | 47.6 | 0 | 0 | 0 | 0 | 107.2 | V69 P85 | V69-T71 VanDerWaalsContact C-N 3.33Å; V69-T71 PolarHBondContact O-N 3.07Å; T71-P85 WeakPolarHBondContact CA-O 3.26Å |
| 72 | N | 68.3 | Low | 74.6 | Confident | 112 Ų | 112 | 92.7 Ų | 92.7 | 60% | 0.599 | 50% | 0.504 | S | S | * | . | | | trans | 67.5 | 60.2 | -178.4 | -50.1 | -31.7 | 0 | 0 | 0 | 113.8 | I83 L84 | N72-I83 HydrophobicContact CB-CG2 3.42Å; N72-I83 VanDerWaalsContact CB-CG2 3.42Å; N72-L84 CarbonylContact C-O 3.48Å; N72-L84 WeakPolarHBondContact CA-O 3.49Å; N72-L84 PolarHBondContact N-O 2.42Å |
| 73 | I | 81.5 | Confident | 75 | Confident | 45 Ų | 45 | 93.9 Ų | 93.9 | 23% | 0.231 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 122.5 | 165 | -42.6 | -177.9 | 0 | 0 | 0 | 108.4 | R70 L84 T87 L90 | R70-I73 VanDerWaalsContact O-CG1 3.27Å; R70-I73 WeakPolarHBondContact O-CG1 3.27Å; I73-L84 PolarHBondContact N-O 2.83Å; I73-L84 PolarHBondContact O-N 2.93Å; I73-T87 WeakPolarHBondContact CD1-OG1 3.44Å; I73-L90 HydrophobicContact CB-CD2 4.4Å; I73-L90 HydrophobicContact CG2-CD2 3.71Å |
| 74 | L | 82.1 | Confident | 75.4 | Confident | 102 Ų | 102 | 89.2 Ų | 89.2 | 53% | 0.534 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 144.9 | 173.1 | -78.3 | 158.8 | 0 | 0 | 0 | 111.4 | T76 I83 | L74-T76 PolarHBondContact O-N 2.87Å; L74-I83 HydrophobicContact CD2-CD1 4.41Å; L74-I83 HydrophobicContact CD2-CG1 3.49Å; L74-I83 VanDerWaalsContact CD2-CG1 3.49Å; L74-I83 HydrophobicContact CG-CG1 4.2Å |
| 75 | C | 86 | Confident | 75.4 | Confident | 11 Ų | 11 | 88.1 Ų | 88.1 | 7% | 0.074 | 49% | 0.487 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 129.2 | 166.1 | -172.2 | 0 | 0 | 0 | 0 | 110.7 | V77 C80 K82 L90 H93 H98 | C75-V77 PolarHBondContact O-N 3.23Å; C75-C80 HydrophobicContact CB-CB 4.22Å; C75-K82 WeakPolarHBondContact CB-O 3.29Å; C75-K82 PolarHBondContact N-O 3.36Å; C75-L90 HydrophobicContact CB-CD1 4.24Å; C75-H93 PolarHBondContact SG-CD2 3.34Å; C75-H93 PolarHBondContact SG-NE2 3.06Å; C75-H98 PolarHBondContact SG-NE2 3.35Å |
| 76 | T | 83.8 | Confident | 75.7 | Confident | 116 Ų | 116 | 91 Ų | 91 | 71% | 0.712 | 50% | 0.503 | S | S | * | . | | | trans | -80.6 | 5.6 | -177.6 | 51.9 | 0 | 0 | 0 | 0 | 114.1 | L74 | L74-T76 PolarHBondContact O-N 2.87Š|
| 77 | V | 83.4 | Confident | 76.2 | Confident | 37 Ų | 37 | 91 Ų | 91 | 22% | 0.224 | 50% | 0.502 | C | S | . | . | S | Bend | trans | -93.9 | 125 | 179.2 | -174.5 | 0 | 0 | 0 | 0 | 109.5 | C75 C80 L94 H98 I100 | C75-V77 PolarHBondContact O-N 3.23Å; V77-C80 HydrophobicContact CB-CB 4.26Å; V77-C80 VanDerWaalsContact O-CB 3.25Å; V77-C80 WeakPolarHBondContact O-CB 3.48Å; V77-C80 PolarHBondContact O-N 2.32Å; V77-L94 HydrophobicContact CG2-CD2 3.68Å; V77-H98 HydrophobicContact CG2-CB 4.21Å; V77-I100 HydrophobicContact CG2-CD1 3.41Å; V77-I100 VanDerWaalsContact CG2-CD1 3.41Å |
| 78 | E | 71.4 | Confident | 76.6 | Confident | 190 Ų | 190 | 89.3 Ų | 89.3 | 89% | 0.888 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 141.6 | 177.4 | -62.2 | -174.3 | 168.4 | 0 | 0 | 111.3 | C80 | E78-C80 PolarHBondContact O-N 3.2Å; E78-C80 VanDerWaalsContact O-N 3.16Å |
| 79 | G | 75.8 | Confident | 77.7 | Confident | 91 Ų | 91 | 82.4 Ų | 82.4 | 94% | 0.938 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | -5.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 80 | C | 84.4 | Confident | 79 | Confident | 18 Ų | 18 | 78.5 Ų | 78.5 | 12% | 0.122 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -46.4 | -178.9 | -168.8 | 0 | 0 | 0 | 0 | 114.7 | C75 V77 E78 K82 H93 H98 | C75-C80 HydrophobicContact CB-CB 4.22Å; V77-C80 HydrophobicContact CB-CB 4.26Å; V77-C80 VanDerWaalsContact O-CB 3.25Å; V77-C80 WeakPolarHBondContact O-CB 3.48Å; V77-C80 PolarHBondContact O-N 2.32Å; E78-C80 PolarHBondContact O-N 3.2Å; E78-C80 VanDerWaalsContact O-N 3.16Å; C80-K82 WeakPolarHBondContact O-CG 3.34Å; C80-K82 PolarHBondContact O-N 3.45Å; C80-H93 VanDerWaalsContact SG-CE1 3.5Å; C80-H93 PolarHBondContact SG-NE2 3.07Å; C80-H98 WeakPolarHBondContact CB-CE1 3.39Å; C80-H98 WeakPolarHBondContact CB-NE2 3.46Å; C80-H98 PolarHBondContact SG-CE1 3.31Å; C80-H98 PolarHBondContact SG-NE2 2.95Å |
| 81 | G | 80.4 | Confident | 80.2 | Confident | 56 Ų | 56 | 72.6 Ų | 72.6 | 58% | 0.577 | 44% | 0.436 | S | S | * | . | | | trans | 62.3 | -5.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | I83 | G81-I83 PolarHBondContact O-N 3.2Š|
| 82 | K | 83 | Confident | 81.4 | Confident | 115 Ų | 115 | 73.1 Ų | 73.1 | 50% | 0.5 | 43% | 0.432 | S | S | . | . | | | trans | -70.3 | 118.4 | -170.3 | -65.6 | -175.1 | -167.3 | -176.9 | 0 | 112.2 | C75 C80 | C75-K82 WeakPolarHBondContact CB-O 3.29Å; C75-K82 PolarHBondContact N-O 3.36Å; C80-K82 WeakPolarHBondContact O-CG 3.34Å; C80-K82 PolarHBondContact O-N 3.45Å |
| 83 | I | 82.9 | Confident | 82.2 | Confident | 103 Ų | 103 | 68.5 Ų | 68.5 | 53% | 0.528 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 132.9 | 170.3 | -62.7 | 171.1 | 0 | 0 | 0 | 109 | N72 L74 G81 | N72-I83 HydrophobicContact CB-CG2 3.42Å; N72-I83 VanDerWaalsContact CB-CG2 3.42Å; L74-I83 HydrophobicContact CD2-CD1 4.41Å; L74-I83 HydrophobicContact CD2-CG1 3.49Å; L74-I83 VanDerWaalsContact CD2-CG1 3.49Å; L74-I83 HydrophobicContact CG-CG1 4.2Å; G81-I83 PolarHBondContact O-N 3.2Å |
| 84 | L | 83.7 | Confident | 82.5 | Confident | 32 Ų | 32 | 66.8 Ų | 66.8 | 17% | 0.168 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 141.8 | -177.3 | -69.3 | 166.5 | 0 | 0 | 0 | 112.4 | N72 I73 N86 A89 L90 H93 | N72-L84 CarbonylContact C-O 3.48Å; N72-L84 WeakPolarHBondContact CA-O 3.49Å; N72-L84 PolarHBondContact N-O 2.42Å; I73-L84 PolarHBondContact N-O 2.83Å; I73-L84 PolarHBondContact O-N 2.93Å; L84-N86 VanDerWaalsContact C-N 3.3Å; L84-N86 PolarHBondContact O-N 3.43Å; L84-A89 HydrophobicContact CB-CB 4.4Å; L84-L90 HydrophobicContact CD1-CB 4.34Å; L84-L90 HydrophobicContact CD1-CD1 4.16Å; L84-H93 HydrophobicContact CD1-CB 3.39Å; L84-H93 VanDerWaalsContact CD1-CD2 3.42Å; L84-H93 WeakPolarHBondContact CD1-CD2 3.33Å |
| 85 | P | 79.5 | Confident | 82.7 | Confident | 72 Ų | 72 | 65.7 Ų | 65.7 | 47% | 0.468 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -75 | -12.3 | -166.1 | 29.3 | -36.9 | 0 | 0 | 0 | 114.7 | T71 A89 | T71-P85 WeakPolarHBondContact CA-O 3.26Å; P85-A89 HydrophobicContact CG-CB 4.45Å |
| 86 | N | 79.6 | Confident | 82.6 | Confident | 62 Ų | 62 | 72.5 Ų | 72.5 | 33% | 0.332 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -162.8 | 165.3 | 176.5 | 57.9 | 51.1 | 0 | 0 | 0 | 112.3 | L84 P88 A89 L90 | L84-N86 VanDerWaalsContact C-N 3.3Å; L84-N86 PolarHBondContact O-N 3.43Å; N86-P88 WeakPolarHBondContact OD1-CD 3.32Å; N86-A89 PolarHBondContact O-N 2.79Å; N86-A89 VanDerWaalsContact OD1-CB 3.26Å; N86-A89 WeakPolarHBondContact OD1-CB 3.38Å; N86-A89 PolarHBondContact OD1-N 3.08Å; N86-L90 PolarHBondContact O-N 3.3Å |
| 87 | T | 81 | Confident | 82.4 | Confident | 68 Ų | 68 | 70 Ų | 70 | 42% | 0.417 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60 | -40.3 | 179.5 | -33.5 | 0 | 0 | 0 | 0 | 113.9 | I73 A89 L90 N91 | I73-T87 WeakPolarHBondContact CD1-OG1 3.44Å; T87-A89 VanDerWaalsContact C-N 3.32Å; T87-A89 PolarHBondContact O-N 2.99Å; T87-L90 WeakPolarHBondContact O-CB 3.47Å; T87-L90 PolarHBondContact O-N 3.06Å; T87-N91 VanDerWaalsContact O-CG 3.31Å; T87-N91 PolarHBondContact O-N 3.05Å; T87-N91 PolarHBondContact O-OD1 3.24Å |
| 88 | P | 82.4 | Confident | 82.4 | Confident | 93 Ų | 93 | 71.3 Ų | 71.3 | 60% | 0.604 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -58.9 | -38.5 | 173.2 | -27.9 | 36.5 | 0 | 0 | 0 | 114 | N86 N91 M92 | N86-P88 WeakPolarHBondContact OD1-CD 3.32Å; P88-N91 PolarHBondContact O-N 2.92Å; P88-M92 VanDerWaalsContact O-CB 3.27Å; P88-M92 WeakPolarHBondContact O-CB 3.27Å; P88-M92 PolarHBondContact O-N 2.9Å |
| 89 | A | 84.3 | Confident | 82.8 | Confident | 27 Ų | 27 | 72.4 Ų | 72.4 | 22% | 0.223 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -68.8 | -37.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L84 P85 N86 T87 M92 H93 | L84-A89 HydrophobicContact CB-CB 4.4Å; P85-A89 HydrophobicContact CG-CB 4.45Å; N86-A89 PolarHBondContact O-N 2.79Å; N86-A89 VanDerWaalsContact OD1-CB 3.26Å; N86-A89 WeakPolarHBondContact OD1-CB 3.38Å; N86-A89 PolarHBondContact OD1-N 3.08Å; T87-A89 VanDerWaalsContact C-N 3.32Å; T87-A89 PolarHBondContact O-N 2.99Å; A89-M92 PolarHBondContact O-N 3.09Å; A89-H93 VanDerWaalsContact O-CB 3.29Å; A89-H93 WeakPolarHBondContact O-CB 3.46Å; A89-H93 PolarHBondContact O-N 3.25Å |
| 90 | L | 85.5 | Confident | 82.7 | Confident | 14 Ų | 14 | 71 Ų | 71 | 7% | 0.073 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.5 | -51.4 | 170.5 | 176.3 | 59 | 0 | 0 | 0 | 111.5 | I73 C75 L84 N86 T87 M92 H93 L94 | I73-L90 HydrophobicContact CB-CD2 4.4Å; I73-L90 HydrophobicContact CG2-CD2 3.71Å; C75-L90 HydrophobicContact CB-CD1 4.24Å; L84-L90 HydrophobicContact CD1-CB 4.34Å; L84-L90 HydrophobicContact CD1-CD1 4.16Å; N86-L90 PolarHBondContact O-N 3.3Å; T87-L90 WeakPolarHBondContact O-CB 3.47Å; T87-L90 PolarHBondContact O-N 3.06Å; L90-M92 VanDerWaalsContact C-N 3.32Å; L90-M92 PolarHBondContact O-N 3.19Å; L90-H93 CarbonylContact O-C 3.58Å; L90-H93 WeakPolarHBondContact O-CA 3.18Å; L90-H93 WeakPolarHBondContact O-CB 3.35Å; L90-H93 PolarHBondContact O-N 3.48Å; L90-L94 HydrophobicContact CD1-CD1 4.06Å; L90-L94 HydrophobicContact CD1-CD2 4.38Å; L90-L94 HydrophobicContact CD1-CG 3.95Å; L90-L94 HydrophobicContact CG-CD1 3.96Å; L90-L94 HydrophobicContact CG-CG 4.33Å; L90-L94 WeakPolarHBondContact O-CG 3.44Å; L90-L94 PolarHBondContact O-N 3.48Å |
| 91 | N | 84.1 | Confident | 81.6 | Confident | 65 Ų | 65 | 79 Ų | 79 | 35% | 0.348 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.6 | -42 | 178.8 | -64.3 | 3 | 0 | 0 | 0 | 111.5 | T87 P88 H93 L94 V95 | T87-N91 VanDerWaalsContact O-CG 3.31Å; T87-N91 PolarHBondContact O-N 3.05Å; T87-N91 PolarHBondContact O-OD1 3.24Å; P88-N91 PolarHBondContact O-N 2.92Å; N91-H93 VanDerWaalsContact C-N 3.29Å; N91-H93 PolarHBondContact O-N 3.27Å; N91-L94 PolarHBondContact O-N 2.83Å; N91-V95 WeakPolarHBondContact O-CG2 3.4Å; N91-V95 PolarHBondContact O-N 3.03Å; N91-V95 VanDerWaalsContact O-N 3.08Å |
| 92 | M | 85.7 | Confident | 80.5 | Confident | 106 Ų | 106 | 80.7 Ų | 80.7 | 52% | 0.522 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.6 | -38.5 | 173.7 | -176 | 71.6 | 64.1 | 0 | 0 | 112 | P88 A89 L90 K96 | P88-M92 VanDerWaalsContact O-CB 3.27Å; P88-M92 WeakPolarHBondContact O-CB 3.27Å; P88-M92 PolarHBondContact O-N 2.9Å; A89-M92 PolarHBondContact O-N 3.09Å; L90-M92 VanDerWaalsContact C-N 3.32Å; L90-M92 PolarHBondContact O-N 3.19Å; M92-K96 HydrophobicContact CG-CD 4.13Å; M92-K96 VanDerWaalsContact O-CB 3.24Å; M92-K96 WeakPolarHBondContact O-CB 3.47Å; M92-K96 VanDerWaalsContact O-CG 3.3Å; M92-K96 WeakPolarHBondContact O-CG 3.37Å; M92-K96 PolarHBondContact O-N 2.91Å; M92-K96 HydrophobicContact SD-CD 3.98Å; M92-K96 WeakPolarHBondContact SD-CE 3.48Å |
| 93 | H | 86.3 | Confident | 79 | Confident | 16 Ų | 16 | 78.7 Ų | 78.7 | 7% | 0.074 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -74.8 | -42.6 | 178.5 | 167.4 | 55.9 | 0 | 0 | 0 | 113.1 | C75 C80 L84 A89 L90 N91 V95 K96 S97 H98 | C75-H93 PolarHBondContact SG-CD2 3.34Å; C75-H93 PolarHBondContact SG-NE2 3.06Å; C80-H93 VanDerWaalsContact SG-CE1 3.5Å; C80-H93 PolarHBondContact SG-NE2 3.07Å; L84-H93 HydrophobicContact CD1-CB 3.39Å; L84-H93 VanDerWaalsContact CD1-CD2 3.42Å; L84-H93 WeakPolarHBondContact CD1-CD2 3.33Å; A89-H93 VanDerWaalsContact O-CB 3.29Å; A89-H93 WeakPolarHBondContact O-CB 3.46Å; A89-H93 PolarHBondContact O-N 3.25Å; L90-H93 CarbonylContact O-C 3.58Å; L90-H93 WeakPolarHBondContact O-CA 3.18Å; L90-H93 WeakPolarHBondContact O-CB 3.35Å; L90-H93 PolarHBondContact O-N 3.48Å; N91-H93 VanDerWaalsContact C-N 3.29Å; N91-H93 PolarHBondContact O-N 3.27Å; H93-V95 VanDerWaalsContact C-N 3.31Å; H93-V95 PolarHBondContact O-N 3.48Å; H93-K96 PolarHBondContact O-N 2.86Å; H93-S97 WeakPolarHBondContact CE1-CB 3.49Å; H93-S97 PolarHBondContact CE1-OG 3.36Å; H93-S97 VanDerWaalsContact ND1-CB 3.29Å; H93-S97 WeakPolarHBondContact ND1-CB 3.3Å; H93-S97 PolarHBondContact ND1-OG 3.4Å; H93-S97 WeakPolarHBondContact O-CB 3.41Å; H93-S97 PolarHBondContact O-N 2.89Å; H93-H98 AromaticContact CD2-NE2 3.56Å; H93-H98 AromaticContact CE1-CD2 3.85Å; H93-H98 AromaticContact CE1-NE2 2.83Å; H93-H98 PolarHBondContact CE1-NE2 2.94Å; H93-H98 AromaticContact ND1-NE2 3.99Å; H93-H98 AromaticContact NE2-CD2 3.66Å; H93-H98 AromaticContact NE2-NE2 2.42Å; H93-H98 PolarHBondContact NE2-NE2 3.08Å |
| 94 | L | 87.2 | Confident | 77.5 | Confident | 9 Ų | 9 | 79.2 Ų | 79.2 | 5% | 0.047 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -56.4 | -46.9 | 173.6 | -69.7 | 169.5 | 0 | 0 | 0 | 110.6 | V77 L90 N91 H98 R99 I100 | V77-L94 HydrophobicContact CG2-CD2 3.68Å; L90-L94 HydrophobicContact CD1-CD1 4.06Å; L90-L94 HydrophobicContact CD1-CD2 4.38Å; L90-L94 HydrophobicContact CD1-CG 3.95Å; L90-L94 HydrophobicContact CG-CD1 3.96Å; L90-L94 HydrophobicContact CG-CG 4.33Å; L90-L94 WeakPolarHBondContact O-CG 3.44Å; L90-L94 PolarHBondContact O-N 3.48Å; N91-L94 PolarHBondContact O-N 2.83Å; L94-H98 CarbonylContact O-C 3.54Å; L94-H98 WeakPolarHBondContact O-CB 3.46Å; L94-H98 PolarHBondContact O-N 3.46Å; L94-R99 PolarHBondContact O-N 3.18Å; L94-R99 VanDerWaalsContact O-N 3.08Å; L94-I100 HydrophobicContact CB-CB 4.4Å; L94-I100 HydrophobicContact CD2-CD1 4.24Å; L94-I100 PolarHBondContact O-N 3.47Å |
| 95 | V | 85.4 | Confident | 75.5 | Confident | 79 Ų | 79 | 81.4 Ų | 81.4 | 48% | 0.479 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.2 | -40.7 | 177.5 | 173.6 | 0 | 0 | 0 | 0 | 112.7 | N91 H93 R99 | N91-V95 WeakPolarHBondContact O-CG2 3.4Å; N91-V95 PolarHBondContact O-N 3.03Å; N91-V95 VanDerWaalsContact O-N 3.08Å; H93-V95 VanDerWaalsContact C-N 3.31Å; H93-V95 PolarHBondContact O-N 3.48Å; V95-R99 WeakPolarHBondContact O-CA 3.38Å |
| 96 | K | 84.3 | Confident | 73.6 | Confident | 154 Ų | 154 | 83.3 Ų | 83.3 | 67% | 0.67 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -84.2 | -42.7 | -175.5 | -75.9 | -176.8 | 173.4 | 177.5 | 0 | 115 | M92 H93 | M92-K96 HydrophobicContact CG-CD 4.13Å; M92-K96 VanDerWaalsContact O-CB 3.24Å; M92-K96 WeakPolarHBondContact O-CB 3.47Å; M92-K96 VanDerWaalsContact O-CG 3.3Å; M92-K96 WeakPolarHBondContact O-CG 3.37Å; M92-K96 PolarHBondContact O-N 2.91Å; M92-K96 HydrophobicContact SD-CD 3.98Å; M92-K96 WeakPolarHBondContact SD-CE 3.48Å; H93-K96 PolarHBondContact O-N 2.86Å |
| 97 | S | 80.6 | Confident | 72.1 | Confident | 64 Ų | 64 | 86.3 Ų | 86.3 | 45% | 0.448 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -93.5 | -36.2 | -173.3 | -59.5 | 0 | 0 | 0 | 0 | 112.8 | H93 | H93-S97 WeakPolarHBondContact CE1-CB 3.49Å; H93-S97 PolarHBondContact CE1-OG 3.36Å; H93-S97 VanDerWaalsContact ND1-CB 3.29Å; H93-S97 WeakPolarHBondContact ND1-CB 3.3Å; H93-S97 PolarHBondContact ND1-OG 3.4Å; H93-S97 WeakPolarHBondContact O-CB 3.41Å; H93-S97 PolarHBondContact O-N 2.89Å |
| 98 | H | 82.1 | Confident | 70.5 | Confident | 64 Ų | 64 | 89.2 Ų | 89.2 | 30% | 0.296 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -105.5 | -7.2 | -177.2 | -58 | -60.3 | 0 | 0 | 0 | 113.3 | C75 V77 C80 H93 L94 I100 | C75-H98 PolarHBondContact SG-NE2 3.35Å; V77-H98 HydrophobicContact CG2-CB 4.21Å; C80-H98 WeakPolarHBondContact CB-CE1 3.39Å; C80-H98 WeakPolarHBondContact CB-NE2 3.46Å; C80-H98 PolarHBondContact SG-CE1 3.31Å; C80-H98 PolarHBondContact SG-NE2 2.95Å; H93-H98 AromaticContact CD2-NE2 3.56Å; H93-H98 AromaticContact CE1-CD2 3.85Å; H93-H98 AromaticContact CE1-NE2 2.83Å; H93-H98 PolarHBondContact CE1-NE2 2.94Å; H93-H98 AromaticContact ND1-NE2 3.99Å; H93-H98 AromaticContact NE2-CD2 3.66Å; H93-H98 AromaticContact NE2-NE2 2.42Å; H93-H98 PolarHBondContact NE2-NE2 3.08Å; L94-H98 CarbonylContact O-C 3.54Å; L94-H98 WeakPolarHBondContact O-CB 3.46Å; L94-H98 PolarHBondContact O-N 3.46Å; H98-I100 HydrophobicContact CB-CB 4.46Å; H98-I100 HydrophobicContact CB-CD1 3.77Å; H98-I100 HydrophobicContact CB-CG1 3.78Å; H98-I100 PolarHBondContact O-N 2.72Å |
| 99 | R | 80.5 | Confident | 68.6 | Low | 213 Ų | 213 | 89.8 Ų | 89.8 | 80% | 0.804 | 49% | 0.487 | S | S | * | . | | | trans | 54.3 | 19.8 | -172.6 | -58.6 | -177 | 176.9 | -170.4 | 0.1 | 113.5 | L94 V95 K101 | L94-R99 PolarHBondContact O-N 3.18Å; L94-R99 VanDerWaalsContact O-N 3.08Å; V95-R99 WeakPolarHBondContact O-CA 3.38Å; R99-K101 PolarHBondContact O-N 2.88Å |
| 100 | I | 74.4 | Confident | 66.9 | Low | 60 Ų | 60 | 95.6 Ų | 95.6 | 31% | 0.308 | 50% | 0.503 | S | S | . | . | | | trans | -69.9 | 98.2 | 176.3 | -66.3 | 173.1 | 0 | 0 | 0 | 107.2 | V77 L94 H98 D102 | V77-I100 HydrophobicContact CG2-CD1 3.41Å; V77-I100 VanDerWaalsContact CG2-CD1 3.41Å; L94-I100 HydrophobicContact CB-CB 4.4Å; L94-I100 HydrophobicContact CD2-CD1 4.24Å; L94-I100 PolarHBondContact O-N 3.47Å; H98-I100 HydrophobicContact CB-CB 4.46Å; H98-I100 HydrophobicContact CB-CD1 3.77Å; H98-I100 HydrophobicContact CB-CG1 3.78Å; H98-I100 PolarHBondContact O-N 2.72Å; I100-D102 PolarHBondContact O-N 3.43Å |
| 101 | K | 61.7 | Low | 65.3 | Low | 188 Ų | 188 | 104.1 Ų | 104.1 | 82% | 0.817 | 54% | 0.54 | S | S | * | . | | | trans | -83.3 | 73.5 | 168 | -66.2 | -179.1 | -176.9 | 176.6 | 0 | 108.3 | R99 G103 | R99-K101 PolarHBondContact O-N 2.88Å; K101-G103 PolarHBondContact O-N 2.83Å |
| 102 | D | 56.8 | Low | 63.3 | Low | 91 Ų | 91 | 108.3 Ų | 108.3 | 49% | 0.487 | 56% | 0.558 | S | S | . | * | | | trans | -50.9 | 139 | 159.3 | -71 | -47.4 | 0 | 0 | 0 | 108.4 | I100 I104 | I100-D102 PolarHBondContact O-N 3.43Å; D102-I104 HydrophobicContact CB-CD1 4.28Å; D102-I104 HydrophobicContact CB-CG1 4.15Å; D102-I104 PolarHBondContact O-N 3.28Å |
| 103 | G | 50.7 | Low | 61.6 | Low | 72 Ų | 72 | 110.9 Ų | 110.9 | 74% | 0.742 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -68.3 | 28.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | K101 V105 | K101-G103 PolarHBondContact O-N 2.83Å; G103-V105 VanDerWaalsContact C-N 3.3Å; G103-V105 PolarHBondContact O-N 3.23Å |
| 104 | I | 51 | Low | 59.8 | Low | 114 Ų | 114 | 120.3 Ų | 120.3 | 59% | 0.585 | 61% | 0.611 | S | S | * | * | | | trans | -80.6 | 78.9 | -176.2 | -52.4 | -179.2 | 0 | 0 | 0 | 109.2 | D102 | D102-I104 HydrophobicContact CB-CD1 4.28Å; D102-I104 HydrophobicContact CB-CG1 4.15Å; D102-I104 PolarHBondContact O-N 3.28Å |
| 105 | V | 42.8 | Very low | 58.1 | Low | 79 Ų | 79 | 122.5 Ų | 122.5 | 48% | 0.479 | 64% | 0.635 | S | S | . | * | | | trans | -41.7 | 136.2 | 170.7 | -178 | 0 | 0 | 0 | 0 | 111.7 | G103 | G103-V105 VanDerWaalsContact C-N 3.3Å; G103-V105 PolarHBondContact O-N 3.23Å |
| 106 | N | 38.3 | Very low | 56.8 | Low | 112 Ų | 112 | 121.8 Ų | 121.8 | 60% | 0.599 | 63% | 0.634 | S | S | * | * | | | trans | -41.3 | 131.2 | 179.1 | -69.9 | -59.8 | 0 | 0 | 0 | 113.3 | T108 V109 | N106-T108 PolarHBondContact O-N 2.84Å; N106-V109 PolarHBondContact O-N 3.04Å; N106-V109 VanDerWaalsContact O-N 3.13Å |
| 107 | P | 49.3 | Very low | 56.1 | Low | 124 Ų | 124 | 119.7 Ų | 119.7 | 81% | 0.805 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -22 | -179.6 | -27.5 | 35.4 | 0 | 0 | 0 | 115.3 | | |
| 108 | T | 46.3 | Very low | 56 | Low | 129 Ų | 129 | 120.8 Ų | 120.8 | 79% | 0.791 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -14.2 | -178.7 | 47.4 | 0 | 0 | 0 | 0 | 114.4 | N106 | N106-T108 PolarHBondContact O-N 2.84Š|
| 109 | V | 43.8 | Very low | 56.2 | Low | 105 Ų | 105 | 119 Ų | 119 | 64% | 0.636 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -125.1 | 59.2 | -173.3 | -163.4 | 0 | 0 | 0 | 0 | 111 | N106 | N106-V109 PolarHBondContact O-N 3.04Å; N106-V109 VanDerWaalsContact O-N 3.13Å |
| 110 | R | 47.8 | Very low | 56.3 | Low | 149 Ų | 149 | 111 Ų | 111 | 56% | 0.562 | 59% | 0.586 | S | S | * | * | | | trans | -136.8 | 40.6 | 172.4 | -69.1 | -169.3 | 177.1 | -166.3 | -2.5 | 112.5 | | |
| 111 | K | 51.9 | Low | 56.9 | Low | 193 Ų | 193 | 108.1 Ų | 108.1 | 84% | 0.839 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -74.5 | -32.6 | 176.8 | 177.9 | 177.8 | 179.4 | -176.5 | 0 | 112 | | |
| 112 | E | 42.2 | Very low | 58.1 | Low | 154 Ų | 154 | 99.2 Ų | 99.2 | 72% | 0.72 | 53% | 0.533 | S | S | * | . | | | trans | -120.4 | 88.5 | 171.1 | 36.3 | -74.3 | 109.9 | 0 | 0 | 112.6 | | |
| 113 | M | 49.8 | Very low | 59.4 | Low | 159 Ų | 159 | 96.2 Ų | 96.2 | 78% | 0.783 | 52% | 0.518 | S | S | * | . | | | trans | -132 | 116.7 | 155.5 | -171.9 | 64 | 73.6 | 0 | 0 | 108.3 | G115 | M113-G115 PolarHBondContact O-N 3.19Š|
| 114 | K | 49.8 | Very low | 60.8 | Low | 215 Ų | 215 | 95.1 Ų | 95.1 | 94% | 0.935 | 50% | 0.495 | S | S | * | . | | | trans | -79.5 | 45 | -167.6 | -162.1 | 175.4 | 177.2 | 177.2 | 0 | 113.4 | | |
| 115 | G | 50.8 | Low | 62.1 | Low | 54 Ų | 54 | 95.9 Ų | 95.9 | 56% | 0.557 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -87 | 164.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | M113 Q117 | M113-G115 PolarHBondContact O-N 3.19Å; G115-Q117 PolarHBondContact O-N 2.88Å |
| 116 | S | 58.1 | Low | 63.7 | Low | 64 Ų | 64 | 96.2 Ų | 96.2 | 45% | 0.448 | 52% | 0.515 | S | S | . | . | | | trans | -58.6 | 124.7 | 176.1 | 48.7 | 0 | 0 | 0 | 0 | 110.7 | E56 K118 | E56-S116 PolarHBondContact OE2-OG 3.49Å; S116-K118 PolarHBondContact O-N 3.39Å |
| 117 | Q | 69.7 | Low | 65.9 | Low | 111 Ų | 111 | 91.5 Ų | 91.5 | 52% | 0.519 | 49% | 0.491 | S | S | . | . | | | trans | -69.6 | 96.8 | 170.1 | -75 | -174.4 | -12.6 | 0 | 0 | 108.2 | R55 G115 L119 | R55-Q117 HydrophobicContact CG-CB 4.49Å; G115-Q117 PolarHBondContact O-N 2.88Å; Q117-L119 PolarHBondContact O-N 2.95Å |
| 118 | K | 79.1 | Confident | 67.1 | Low | 86 Ų | 86 | 91 Ų | 91 | 37% | 0.374 | 49% | 0.487 | S | S | . | . | | | trans | -65.4 | 113.9 | 174.7 | -70 | 176.4 | -177.7 | -70.1 | 0 | 109.1 | E56 I58 S116 Y120 | E56-K118 HydrophobicContact CB-CG 4.36Å; E56-K118 WeakPolarHBondContact O-CA 3.33Å; E56-K118 IonicContact OE1-NZ 2.66Å; E56-K118 PolarHBondContact OE1-NZ 3.19Å; E56-K118 IonicContact OE2-NZ 2.73Å; E56-K118 PolarHBondContact OE2-NZ 3.24Å; I58-K118 HydrophobicContact CD1-CB 3.94Å; I58-K118 HydrophobicContact CD1-CD 3.74Å; I58-K118 HydrophobicContact CD1-CG 3.83Å; S116-K118 PolarHBondContact O-N 3.39Å; K118-Y120 HydrophobicContact CB-CE2 3.96Å; K118-Y120 WeakPolarHBondContact O-CD2 3.31Å; K118-Y120 VanDerWaalsContact O-CE2 3.31Å; K118-Y120 WeakPolarHBondContact O-CE2 3.36Å |
| 119 | L | 85.1 | Confident | 68.5 | Low | 28 Ų | 28 | 86.7 Ų | 86.7 | 15% | 0.147 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 128.1 | -179.6 | -73.5 | -175 | 0 | 0 | 0 | 109.1 | R55 E56 I57 I58 Q117 P134 | R55-L119 HydrophobicContact CB-CD1 4.03Å; R55-L119 HydrophobicContact CG-CD1 4.29Å; E56-L119 PolarHBondContact O-N 3.49Å; I57-L119 CarbonylContact C-O 3.59Å; I57-L119 WeakPolarHBondContact CA-O 3.24Å; I57-L119 HydrophobicContact CG1-CB 4.42Å; I58-L119 PolarHBondContact N-O 3.12Å; Q117-L119 PolarHBondContact O-N 2.95Å; L119-P134 HydrophobicContact CB-CB 3.92Å; L119-P134 HydrophobicContact CB-CG 4.19Å; L119-P134 HydrophobicContact CD1-CG 3.93Å; L119-P134 HydrophobicContact CG-CG 4.5Å |
| 120 | Y | 83.5 | Confident | 69.9 | Low | 44 Ų | 44 | 82.1 Ų | 82.1 | 17% | 0.173 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 129.3 | -172.5 | -59.9 | -92.3 | 0 | 0 | 0 | 110.7 | I58 P60 K118 P134 F135 F138 V141 | I58-Y120 HydrophobicContact CB-CD1 4.06Å; I58-Y120 HydrophobicContact CB-CE1 4.19Å; I58-Y120 HydrophobicContact CD1-CE1 4Å; I58-Y120 HydrophobicContact CG2-CD1 4.2Å; I58-Y120 HydrophobicContact CG2-CE1 4.23Å; I58-Y120 WeakPolarHBondContact O-CA 3.45Å; P60-Y120 HydrophobicContact CG-CD1 4.36Å; K118-Y120 HydrophobicContact CB-CE2 3.96Å; K118-Y120 WeakPolarHBondContact O-CD2 3.31Å; K118-Y120 VanDerWaalsContact O-CE2 3.31Å; K118-Y120 WeakPolarHBondContact O-CE2 3.36Å; Y120-P134 WeakPolarHBondContact O-CA 3.46Å; Y120-F135 PolarHBondContact N-O 3.44Å; Y120-F135 PolarHBondContact O-N 3.18Å; Y120-F138 HydrophobicContact CD1-CB 4.03Å; Y120-F138 AromaticContact CD1-CD2 3.96Å; Y120-F138 HydrophobicContact CD1-CD2 3.96Å; Y120-F138 HydrophobicContact CD2-CB 4.37Å; Y120-F138 HydrophobicContact CE1-CB 3.87Å; Y120-F138 AromaticContact CE1-CD2 3.98Å; Y120-F138 HydrophobicContact CE1-CD2 3.98Å; Y120-F138 HydrophobicContact CE1-CG 4.42Å; Y120-F138 HydrophobicContact CE2-CB 4.23Å; Y120-F138 HydrophobicContact CG-CB 4.27Å; Y120-V141 VanDerWaalsContact CB-CG2 3.48Å; Y120-V141 VanDerWaalsContact O-CG2 3.31Å; Y120-V141 WeakPolarHBondContact O-CG2 3.32Å |
| 121 | C | 87 | Confident | 70.9 | Confident | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 42% | 0.424 | C | S | . | . | | | trans | -104 | 157.7 | 176.2 | -69.9 | 0 | 0 | 0 | 0 | 112.2 | I57 I58 K59 P60 V141 | I57-C121 VanDerWaalsContact CG2-SG 3.56Å; I58-C121 PolarHBondContact O-N 3.48Å; K59-C121 HydrophobicContact CG-CB 4.18Å; P60-C121 WeakPolarHBondContact CD-O 3Å; C121-V141 WeakPolarHBondContact O-CG1 3.39Å |
| 122 | C | 86.4 | Confident | 71.8 | Confident | 1 Ų | 1 | 76.6 Ų | 76.6 | 1% | 0.007 | 43% | 0.425 | C | S | . | . | | | trans | -65.6 | 133.5 | 162.1 | -167.8 | 0 | 0 | 0 | 0 | 109.6 | I124 C127 R129 H149 | C122-I124 PolarHBondContact O-N 3.27Å; C122-C127 HydrophobicContact CB-CB 4.19Å; C122-R129 WeakPolarHBondContact CB-O 2.8Å; C122-R129 PolarHBondContact N-O 3.42Å; C122-H149 PolarHBondContact SG-CD2 3.24Å; C122-H149 PolarHBondContact SG-NE2 3.41Å |
| 123 | P | 83.2 | Confident | 73.6 | Confident | 28 Ų | 28 | 75.7 Ų | 75.7 | 18% | 0.182 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -78.3 | 2.4 | 176.6 | 31.7 | -37 | 0 | 0 | 0 | 114.2 | P60 I62 L65 Y145 | P60-P123 WeakPolarHBondContact O-CB 3.49Å; P60-P123 WeakPolarHBondContact O-CG 3.46Å; I62-P123 HydrophobicContact CG1-CB 4.48Å; I62-P123 HydrophobicContact CG1-CG 3.95Å; L65-P123 HydrophobicContact CD1-CG 3.71Å; P123-Y145 HydrophobicContact CG-CD2 4.44Å; P123-Y145 HydrophobicContact CG-CE2 4.49Å |
| 124 | I | 81.3 | Confident | 75.2 | Confident | 49 Ų | 49 | 69.9 Ų | 69.9 | 25% | 0.251 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -96.4 | 117 | 178.6 | -74.9 | 164.5 | 0 | 0 | 0 | 109.7 | C122 C127 Y145 H149 | C122-I124 PolarHBondContact O-N 3.27Å; I124-C127 WeakPolarHBondContact O-CB 3.49Å; I124-C127 PolarHBondContact O-N 2.8Å; I124-Y145 HydrophobicContact CD1-CD2 4.26Å; I124-Y145 HydrophobicContact CD1-CE2 3.61Å; I124-Y145 HydrophobicContact CG1-CE2 4.44Å; I124-H149 HydrophobicContact CD1-CB 3.45Å; I124-H149 VanDerWaalsContact CD1-CB 3.45Å; I124-H149 VanDerWaalsContact CD1-CG 3.46Å |
| 125 | E | 77.9 | Confident | 76.9 | Confident | 130 Ų | 130 | 60.7 Ų | 60.7 | 61% | 0.607 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 144.1 | 176.2 | -52.7 | -53.5 | 149.3 | 0 | 0 | 110.6 | K59 C127 | K59-E125 IonicContact NZ-OE1 2.62Å; K59-E125 PolarHBondContact NZ-OE1 3Å; K59-E125 IonicContact NZ-OE2 3.44Å; K59-E125 PolarHBondContact NZ-OE2 3.13Å; E125-C127 VanDerWaalsContact C-N 3.26Å; E125-C127 PolarHBondContact O-N 3.02Å |
| 126 | G | 76.3 | Confident | 78.5 | Confident | 85 Ų | 85 | 62 Ų | 62 | 88% | 0.876 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.1 | -5.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 127 | C | 83.9 | Confident | 79.7 | Confident | 14 Ų | 14 | 64 Ų | 64 | 10% | 0.095 | 35% | 0.352 | C | S | . | . | | | trans | -70.7 | 136.2 | 174.2 | 178.4 | 0 | 0 | 0 | 0 | 112.1 | C122 I124 E125 R129 G130 H144 H149 | C122-C127 HydrophobicContact CB-CB 4.19Å; I124-C127 WeakPolarHBondContact O-CB 3.49Å; I124-C127 PolarHBondContact O-N 2.8Å; E125-C127 VanDerWaalsContact C-N 3.26Å; E125-C127 PolarHBondContact O-N 3.02Å; C127-R129 PolarHBondContact O-N 3.02Å; C127-R129 PolarHBondContact SG-N 3.12Å; C127-G130 PolarHBondContact O-N 2.76Å; C127-H144 VanDerWaalsContact SG-CE1 3.53Å; C127-H144 PolarHBondContact SG-NE2 2.78Å; C127-H149 PolarHBondContact SG-NE2 2.87Å |
| 128 | P | 75.4 | Confident | 80.3 | Confident | 113 Ų | 113 | 62.1 Ų | 62.1 | 73% | 0.734 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | 2.7 | 174 | 28.4 | -37 | 0 | 0 | 0 | 114.7 | | |
| 129 | R | 75.4 | Confident | 80.4 | Confident | 39 Ų | 39 | 60.9 Ų | 60.9 | 15% | 0.147 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.8 | 29.3 | 171.6 | -70.5 | -67.1 | -160.4 | 148.8 | 6.4 | 112.6 | C122 C127 R133 F135 | C122-R129 WeakPolarHBondContact CB-O 2.8Å; C122-R129 PolarHBondContact N-O 3.42Å; C127-R129 PolarHBondContact O-N 3.02Å; C127-R129 PolarHBondContact SG-N 3.12Å; R129-R133 VanDerWaalsContact CD-O 3.31Å; R129-R133 WeakPolarHBondContact CD-O 2.96Å; R129-R133 PolarHBondContact NH1-O 2.74Å; R129-F135 HydrophobicContact CB-CE2 3.67Å; R129-F135 HydrophobicContact CB-CZ 3.94Å; R129-F135 HydrophobicContact CG-CE2 3.91Å; R129-F135 HydrophobicContact CG-CZ 3.65Å |
| 130 | G | 72.8 | Confident | 80.5 | Confident | 8 Ų | 8 | 62.5 Ų | 62.5 | 8% | 0.082 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -72.9 | -153.3 | 168 | 0 | 0 | 0 | 0 | 0 | 113.4 | C127 N132 R133 | C127-G130 PolarHBondContact O-N 2.76Å; G130-N132 PolarHBondContact O-N 3.19Å; G130-N132 VanDerWaalsContact O-N 3.12Å; G130-R133 PolarHBondContact O-N 2.97Å; G130-R133 VanDerWaalsContact O-N 3.15Å |
| 131 | P | 70.4 | Confident | 80.6 | Confident | 65 Ų | 65 | 60.4 Ų | 60.4 | 42% | 0.422 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -27.2 | -170.8 | 24 | -34.1 | 0 | 0 | 0 | 114.6 | R133 P134 | P131-R133 VanDerWaalsContact C-N 3.34Å; P131-R133 PolarHBondContact O-N 3.37Å; P131-P134 WeakPolarHBondContact O-CD 3.49Å |
| 132 | N | 69.9 | Low | 80.5 | Confident | 161 Ų | 161 | 62.3 Ų | 62.3 | 86% | 0.861 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -13.1 | -176.5 | -58.4 | -5.4 | 0 | 0 | 0 | 113.3 | G130 | G130-N132 PolarHBondContact O-N 3.19Å; G130-N132 VanDerWaalsContact O-N 3.12Å |
| 133 | R | 80.8 | Confident | 80.4 | Confident | 136 Ų | 136 | 68.2 Ų | 68.2 | 51% | 0.513 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -146.3 | 61.3 | -179.6 | -159.4 | -178.4 | 179.3 | -164.4 | 3.2 | 113.3 | R129 G130 P131 | R129-R133 VanDerWaalsContact CD-O 3.31Å; R129-R133 WeakPolarHBondContact CD-O 2.96Å; R129-R133 PolarHBondContact NH1-O 2.74Å; G130-R133 PolarHBondContact O-N 2.97Å; G130-R133 VanDerWaalsContact O-N 3.15Å; P131-R133 VanDerWaalsContact C-N 3.34Å; P131-R133 PolarHBondContact O-N 3.37Å |
| 134 | P | 83.3 | Confident | 80.5 | Confident | 36 Ų | 36 | 68.3 Ų | 68.3 | 23% | 0.234 | 38% | 0.378 | C | S | . | . | | | trans | -61.1 | 167.7 | 179 | 26.5 | -35.5 | 0 | 0 | 0 | 113.4 | L119 Y120 P131 | L119-P134 HydrophobicContact CB-CB 3.92Å; L119-P134 HydrophobicContact CB-CG 4.19Å; L119-P134 HydrophobicContact CD1-CG 3.93Å; L119-P134 HydrophobicContact CG-CG 4.5Å; Y120-P134 WeakPolarHBondContact O-CA 3.46Å; P131-P134 WeakPolarHBondContact O-CD 3.49Å |
| 135 | F | 84.1 | Confident | 80.7 | Confident | 22 Ų | 22 | 66.7 Ų | 66.7 | 10% | 0.096 | 37% | 0.369 | C | S | . | . | B | Isolated β-bridge | trans | -105 | 152.2 | 170 | -55.8 | -101.2 | 0 | 0 | 0 | 110.6 | Y120 R129 Q137 L140 V141 H144 | Y120-F135 PolarHBondContact N-O 3.44Å; Y120-F135 PolarHBondContact O-N 3.18Å; R129-F135 HydrophobicContact CB-CE2 3.67Å; R129-F135 HydrophobicContact CB-CZ 3.94Å; R129-F135 HydrophobicContact CG-CE2 3.91Å; R129-F135 HydrophobicContact CG-CZ 3.65Å; F135-Q137 VanDerWaalsContact C-N 3.27Å; F135-Q137 PolarHBondContact O-N 2.8Å; F135-L140 HydrophobicContact CB-CB 3.94Å; F135-L140 HydrophobicContact CB-CD1 4.38Å; F135-L140 HydrophobicContact CD1-CB 3.53Å; F135-L140 HydrophobicContact CD1-CD1 4.31Å; F135-L140 HydrophobicContact CE1-CB 4.21Å; F135-L140 HydrophobicContact CG-CB 3.95Å; F135-V141 HydrophobicContact CB-CG2 4.13Å; F135-V141 HydrophobicContact CD2-CB 4.44Å; F135-V141 HydrophobicContact CD2-CG2 3.31Å; F135-V141 HydrophobicContact CE2-CG2 3.88Å; F135-V141 HydrophobicContact CG-CG2 4.01Å; F135-H144 HydrophobicContact CE1-CB 4.34Å; F135-H144 HydrophobicContact CE2-CB 4.18Å; F135-H144 HydrophobicContact CZ-CB 3.61Å; F135-H144 AromaticContact CZ-CG 3.67Å |
| 136 | S | 84.7 | Confident | 80.8 | Confident | 83 Ų | 83 | 64 Ų | 64 | 58% | 0.58 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -77.7 | -6.3 | 176.8 | 50.7 | 0 | 0 | 0 | 0 | 114.6 | | |
| 137 | Q | 83.6 | Confident | 80.9 | Confident | 106 Ų | 106 | 65.3 Ų | 65.3 | 50% | 0.495 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -145.9 | 142 | -176.4 | -56.9 | -176.7 | 3.1 | 0 | 0 | 111.8 | F135 S139 L140 V141 | F135-Q137 VanDerWaalsContact C-N 3.27Å; F135-Q137 PolarHBondContact O-N 2.8Å; Q137-S139 VanDerWaalsContact C-N 3.28Å; Q137-S139 VanDerWaalsContact CB-OG 3.24Å; Q137-S139 WeakPolarHBondContact CB-OG 3.26Å; Q137-S139 PolarHBondContact O-N 2.83Å; Q137-S139 PolarHBondContact OE1-OG 3.02Å; Q137-L140 HydrophobicContact CB-CD1 4.21Å; Q137-L140 HydrophobicContact CB-CG 4.24Å; Q137-L140 PolarHBondContact O-N 3.4Å; Q137-V141 PolarHBondContact O-N 2.81Å |
| 138 | F | 81.9 | Confident | 80.7 | Confident | 70 Ų | 70 | 69.9 Ų | 69.9 | 31% | 0.307 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.8 | -35.8 | 175.1 | 178.5 | -91.7 | 0 | 0 | 0 | 113 | P60 E64 L65 Y120 L140 V141 K142 | P60-F138 HydrophobicContact CB-CD2 4.06Å; P60-F138 HydrophobicContact CB-CE2 3.68Å; P60-F138 HydrophobicContact CG-CD2 4.36Å; P60-F138 HydrophobicContact CG-CE2 4.33Å; E64-F138 HydrophobicContact CB-CE2 4.32Å; E64-F138 HydrophobicContact CB-CZ 4.22Å; L65-F138 HydrophobicContact CD2-CD2 4.39Å; L65-F138 HydrophobicContact CD2-CE2 3.77Å; L65-F138 HydrophobicContact CD2-CZ 3.87Å; Y120-F138 HydrophobicContact CD1-CB 4.03Å; Y120-F138 AromaticContact CD1-CD2 3.96Å; Y120-F138 HydrophobicContact CD1-CD2 3.96Å; Y120-F138 HydrophobicContact CD2-CB 4.37Å; Y120-F138 HydrophobicContact CE1-CB 3.87Å; Y120-F138 AromaticContact CE1-CD2 3.98Å; Y120-F138 HydrophobicContact CE1-CD2 3.98Å; Y120-F138 HydrophobicContact CE1-CG 4.42Å; Y120-F138 HydrophobicContact CE2-CB 4.23Å; Y120-F138 HydrophobicContact CG-CB 4.27Å; F138-L140 VanDerWaalsContact C-N 3.27Å; F138-L140 PolarHBondContact O-N 3.01Å; F138-V141 PolarHBondContact O-N 2.69Å; F138-K142 HydrophobicContact CE1-CD 4.22Å; F138-K142 PolarHBondContact O-N 2.73Å |
| 139 | S | 82.6 | Confident | 80.9 | Confident | 60 Ų | 60 | 67 Ų | 67 | 42% | 0.42 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -51.8 | -44.2 | 173.8 | 46.5 | 0 | 0 | 0 | 0 | 112.5 | Q137 K142 Q143 | Q137-S139 VanDerWaalsContact C-N 3.28Å; Q137-S139 VanDerWaalsContact CB-OG 3.24Å; Q137-S139 WeakPolarHBondContact CB-OG 3.26Å; Q137-S139 PolarHBondContact O-N 2.83Å; Q137-S139 PolarHBondContact OE1-OG 3.02Å; S139-K142 PolarHBondContact O-N 3.1Å; S139-Q143 WeakPolarHBondContact O-CB 3.41Å; S139-Q143 PolarHBondContact O-N 3.46Å |
| 140 | L | 85.6 | Confident | 81.1 | Confident | 62 Ų | 62 | 66 Ų | 66 | 33% | 0.325 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -71.9 | -37.7 | -178.3 | -61 | 172.7 | 0 | 0 | 0 | 112 | F135 Q137 F138 H144 | F135-L140 HydrophobicContact CB-CB 3.94Å; F135-L140 HydrophobicContact CB-CD1 4.38Å; F135-L140 HydrophobicContact CD1-CB 3.53Å; F135-L140 HydrophobicContact CD1-CD1 4.31Å; F135-L140 HydrophobicContact CE1-CB 4.21Å; F135-L140 HydrophobicContact CG-CB 3.95Å; Q137-L140 HydrophobicContact CB-CD1 4.21Å; Q137-L140 HydrophobicContact CB-CG 4.24Å; Q137-L140 PolarHBondContact O-N 3.4Å; F138-L140 VanDerWaalsContact C-N 3.27Å; F138-L140 PolarHBondContact O-N 3.01Å; L140-H144 WeakPolarHBondContact O-CB 3.42Å; L140-H144 PolarHBondContact O-N 3.13Å |
| 141 | V | 86.1 | Confident | 81.3 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 170.3 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | P60 L65 Y120 C121 F135 Q137 F138 H144 Y145 | P60-V141 HydrophobicContact CG-CG1 3.96Å; L65-V141 HydrophobicContact CD1-CG1 3.63Å; L65-V141 HydrophobicContact CD2-CB 4.4Å; L65-V141 HydrophobicContact CD2-CG1 3.71Å; L65-V141 HydrophobicContact CG-CG1 4.34Å; Y120-V141 VanDerWaalsContact CB-CG2 3.48Å; Y120-V141 VanDerWaalsContact O-CG2 3.31Å; Y120-V141 WeakPolarHBondContact O-CG2 3.32Å; C121-V141 WeakPolarHBondContact O-CG1 3.39Å; F135-V141 HydrophobicContact CB-CG2 4.13Å; F135-V141 HydrophobicContact CD2-CB 4.44Å; F135-V141 HydrophobicContact CD2-CG2 3.31Å; F135-V141 HydrophobicContact CE2-CG2 3.88Å; F135-V141 HydrophobicContact CG-CG2 4.01Å; Q137-V141 PolarHBondContact O-N 2.81Å; F138-V141 PolarHBondContact O-N 2.69Å; V141-H144 PolarHBondContact O-N 2.69Å; V141-Y145 VanDerWaalsContact O-CB 3.23Å; V141-Y145 WeakPolarHBondContact O-CB 3.46Å; V141-Y145 PolarHBondContact O-N 3.49Å |
| 142 | K | 84.6 | Confident | 81.8 | Confident | 40 Ų | 40 | 74 Ų | 74 | 17% | 0.174 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 178.2 | -171 | 173 | 179 | 98.7 | 0 | 111.6 | L65 K67 F138 S139 Y145 M146 | L65-K142 HydrophobicContact CD2-CB 4.14Å; L65-K142 WeakPolarHBondContact O-CE 3.3Å; L65-K142 WeakPolarHBondContact O-CG 3.35Å; L65-K142 PolarHBondContact O-NZ 3.44Å; K67-K142 PolarHBondContact O-NZ 3.21Å; F138-K142 HydrophobicContact CE1-CD 4.22Å; F138-K142 PolarHBondContact O-N 2.73Å; S139-K142 PolarHBondContact O-N 3.1Å; K142-Y145 PolarHBondContact O-N 3.19Å; K142-M146 HydrophobicContact CG-SD 4.39Å; K142-M146 WeakPolarHBondContact O-CB 3.44Å; K142-M146 WeakPolarHBondContact O-CG 3.35Å; K142-M146 PolarHBondContact O-N 3.26Å |
| 143 | Q | 84.1 | Confident | 82.3 | Confident | 126 Ų | 126 | 73.3 Ų | 73.3 | 59% | 0.589 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62.7 | -45.9 | 175.1 | -173.3 | -174.3 | 7 | 0 | 0 | 112.1 | S139 M146 K147 | S139-Q143 WeakPolarHBondContact O-CB 3.41Å; S139-Q143 PolarHBondContact O-N 3.46Å; Q143-M146 PolarHBondContact O-N 3.37Å; Q143-K147 WeakPolarHBondContact O-CB 3.39Å; Q143-K147 PolarHBondContact O-N 3.23Å |
| 144 | H | 85.7 | Confident | 82.4 | Confident | 29 Ų | 29 | 69.8 Ų | 69.8 | 13% | 0.134 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.9 | -47.4 | 176.2 | 162.7 | 68.6 | 0 | 0 | 0 | 111.7 | C127 F135 L140 V141 K147 M148 H149 | C127-H144 VanDerWaalsContact SG-CE1 3.53Å; C127-H144 PolarHBondContact SG-NE2 2.78Å; F135-H144 HydrophobicContact CE1-CB 4.34Å; F135-H144 HydrophobicContact CE2-CB 4.18Å; F135-H144 HydrophobicContact CZ-CB 3.61Å; F135-H144 AromaticContact CZ-CG 3.67Å; L140-H144 WeakPolarHBondContact O-CB 3.42Å; L140-H144 PolarHBondContact O-N 3.13Å; V141-H144 PolarHBondContact O-N 2.69Å; H144-K147 PolarHBondContact O-N 3.32Å; H144-M148 WeakPolarHBondContact O-CB 3.32Å; H144-M148 WeakPolarHBondContact O-CG 3.36Å; H144-M148 PolarHBondContact O-N 2.73Å; H144-H149 AromaticContact CE1-NE2 3.9Å; H144-H149 AromaticContact NE2-CD2 3.69Å; H144-H149 AromaticContact NE2-NE2 3.52Å |
| 145 | Y | 84.8 | Confident | 82.7 | Confident | 16 Ų | 16 | 75.2 Ų | 75.2 | 6% | 0.063 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.7 | -48.2 | 176.3 | -175.8 | -83.8 | 0 | 0 | 0 | 110.9 | I62 L65 T66 P123 I124 V141 K142 K147 M148 H149 A150 | I62-Y145 HydrophobicContact CG1-CE2 4.01Å; I62-Y145 WeakPolarHBondContact CG2-OH 2.97Å; L65-Y145 HydrophobicContact CB-CD1 4.11Å; L65-Y145 HydrophobicContact CB-CG 4.1Å; L65-Y145 HydrophobicContact CD1-CD2 3.78Å; L65-Y145 HydrophobicContact CD1-CG 3.86Å; T66-Y145 HydrophobicContact CG2-CE1 3.66Å; P123-Y145 HydrophobicContact CG-CD2 4.44Å; P123-Y145 HydrophobicContact CG-CE2 4.49Å; I124-Y145 HydrophobicContact CD1-CD2 4.26Å; I124-Y145 HydrophobicContact CD1-CE2 3.61Å; I124-Y145 HydrophobicContact CG1-CE2 4.44Å; V141-Y145 VanDerWaalsContact O-CB 3.23Å; V141-Y145 WeakPolarHBondContact O-CB 3.46Å; V141-Y145 PolarHBondContact O-N 3.49Å; K142-Y145 PolarHBondContact O-N 3.19Å; Y145-K147 VanDerWaalsContact C-N 3.31Å; Y145-K147 PolarHBondContact O-N 3.01Å; Y145-M148 PolarHBondContact O-N 2.93Å; Y145-H149 HydrophobicContact CD2-CB 3.85Å; Y145-H149 HydrophobicContact CE2-CB 3.86Å; Y145-H149 HydrophobicContact CG-CB 4.27Å; Y145-H149 CarbonylContact O-C 3.52Å; Y145-H149 WeakPolarHBondContact O-CA 3.45Å; Y145-H149 WeakPolarHBondContact O-CB 3.23Å; Y145-H149 PolarHBondContact O-N 3.2Å; Y145-A150 HydrophobicContact CD1-CB 4.28Å; Y145-A150 HydrophobicContact CE1-CB 4.05Å; Y145-A150 PolarHBondContact O-N 3.47Å |
| 146 | M | 80.3 | Confident | 83 | Confident | 73 Ų | 73 | 74.2 Ų | 74.2 | 36% | 0.36 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.1 | -26 | 179.7 | -69 | -167.7 | 79 | 0 | 0 | 114.2 | K142 Q143 S164 | K142-M146 HydrophobicContact CG-SD 4.39Å; K142-M146 WeakPolarHBondContact O-CB 3.44Å; K142-M146 WeakPolarHBondContact O-CG 3.35Å; K142-M146 PolarHBondContact O-N 3.26Å; Q143-M146 PolarHBondContact O-N 3.37Å; M146-S164 WeakPolarHBondContact O-CB 3.49Å; M146-S164 PolarHBondContact O-OG 3.25Å |
| 147 | K | 80 | Confident | 83.2 | Confident | 113 Ų | 113 | 75.2 Ų | 75.2 | 49% | 0.491 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -81.7 | -42.6 | 173.8 | -173.8 | 179.7 | 177.1 | -177.4 | 0 | 113.1 | Q143 H144 Y145 W769 | Q143-K147 WeakPolarHBondContact O-CB 3.39Å; Q143-K147 PolarHBondContact O-N 3.23Å; H144-K147 PolarHBondContact O-N 3.32Å; Y145-K147 VanDerWaalsContact C-N 3.31Å; Y145-K147 PolarHBondContact O-N 3.01Å; K147-W769 PolarHBondContact NZ-O 2.66Å |
| 148 | M | 78.8 | Confident | 83.4 | Confident | 109 Ų | 109 | 75.9 Ų | 75.9 | 54% | 0.537 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -100.4 | -29.3 | -167.5 | -59.1 | -55.2 | -64.6 | 0 | 0 | 114.5 | H144 Y145 | H144-M148 WeakPolarHBondContact O-CB 3.32Å; H144-M148 WeakPolarHBondContact O-CG 3.36Å; H144-M148 PolarHBondContact O-N 2.73Å; Y145-M148 PolarHBondContact O-N 2.93Å |
| 149 | H | 80.7 | Confident | 83.5 | Confident | 54 Ų | 54 | 74.7 Ų | 74.7 | 25% | 0.25 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.6 | -24.8 | -161.1 | -65.5 | -56.6 | 0 | 0 | 0 | 115.6 | C122 I124 C127 H144 Y145 | C122-H149 PolarHBondContact SG-CD2 3.24Å; C122-H149 PolarHBondContact SG-NE2 3.41Å; I124-H149 HydrophobicContact CD1-CB 3.45Å; I124-H149 VanDerWaalsContact CD1-CB 3.45Å; I124-H149 VanDerWaalsContact CD1-CG 3.46Å; C127-H149 PolarHBondContact SG-NE2 2.87Å; H144-H149 AromaticContact CE1-NE2 3.9Å; H144-H149 AromaticContact NE2-CD2 3.69Å; H144-H149 AromaticContact NE2-NE2 3.52Å; Y145-H149 HydrophobicContact CD2-CB 3.85Å; Y145-H149 HydrophobicContact CE2-CB 3.86Å; Y145-H149 HydrophobicContact CG-CB 4.27Å; Y145-H149 CarbonylContact O-C 3.52Å; Y145-H149 WeakPolarHBondContact O-CA 3.45Å; Y145-H149 WeakPolarHBondContact O-CB 3.23Å; Y145-H149 PolarHBondContact O-N 3.2Å |
| 150 | A | 78.4 | Confident | 83.7 | Confident | 16 Ų | 16 | 78.1 Ų | 78.1 | 13% | 0.132 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -60.7 | 145.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y145 K152 | Y145-A150 HydrophobicContact CD1-CB 4.28Å; Y145-A150 HydrophobicContact CE1-CB 4.05Å; Y145-A150 PolarHBondContact O-N 3.47Å; A150-K152 PolarHBondContact O-N 3.42Å |
| 151 | E | 77 | Confident | 83.6 | Confident | 139 Ų | 139 | 79 Ų | 79 | 65% | 0.65 | 39% | 0.386 | S | S | * | . | | | trans | -58 | 121.3 | -176.8 | -171.1 | -177.4 | -168.2 | 0 | 0 | 111.1 | K153 | E151-K153 HydrophobicContact CB-CG 4.36Å; E151-K153 HydrophobicContact CG-CG 3.94Å; E151-K153 PolarHBondContact O-N 3.03Å; E151-K153 WeakPolarHBondContact OE2-CE 3.19Å; E151-K153 IonicContact OE2-NZ 3.64Å |
| 152 | K | 80.8 | Confident | 83.6 | Confident | 104 Ų | 104 | 79.7 Ų | 79.7 | 45% | 0.452 | 39% | 0.393 | S | S | . | . | | | trans | -83.7 | 65.1 | -174.9 | -76.2 | 175.5 | 165.6 | -173.3 | 0 | 111.5 | A150 H154 G162 Y163 | A150-K152 PolarHBondContact O-N 3.42Å; K152-H154 VanDerWaalsContact C-N 3.33Å; K152-H154 PolarHBondContact O-N 2.78Å; K152-G162 WeakPolarHBondContact CD-O 3.43Å; K152-G162 WeakPolarHBondContact CE-O 3.25Å; K152-G162 WeakPolarHBondContact CG-O 3.39Å; K152-Y163 CarbonylContact C-O 3.33Å; K152-Y163 WeakPolarHBondContact CA-O 3.46Å |
| 153 | K | 81 | Confident | 83.7 | Confident | 146 Ų | 146 | 80.2 Ų | 80.2 | 64% | 0.635 | 39% | 0.394 | S | S | * | . | | | trans | -60.7 | -37.6 | -175.7 | -65 | -176.1 | 177.2 | -176.7 | 0 | 113.2 | E151 Y163 | E151-K153 HydrophobicContact CB-CG 4.36Å; E151-K153 HydrophobicContact CG-CG 3.94Å; E151-K153 PolarHBondContact O-N 3.03Å; E151-K153 WeakPolarHBondContact OE2-CE 3.19Å; E151-K153 IonicContact OE2-NZ 3.64Å; K153-Y163 PolarHBondContact N-O 2.7Å |
| 154 | H | 83.1 | Confident | 83.6 | Confident | 62 Ų | 62 | 75.7 Ų | 75.7 | 29% | 0.287 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 104.7 | -172.9 | -60 | -86 | 0 | 0 | 0 | 110.7 | K152 G162 Y163 E166 L169 | K152-H154 VanDerWaalsContact C-N 3.33Å; K152-H154 PolarHBondContact O-N 2.78Å; H154-G162 CarbonylContact O-C 3.54Å; H154-G162 WeakPolarHBondContact O-CA 3.31Å; H154-Y163 PolarHBondContact N-O 3.26Å; H154-Y163 PolarHBondContact O-N 3.13Å; H154-E166 PolarHBondContact CD2-N 3.12Å; H154-L169 HydrophobicContact CB-CB 3.87Å; H154-L169 HydrophobicContact CB-CD2 3.73Å; H154-L169 HydrophobicContact CB-CG 4.35Å |
| 155 | K | 89.4 | Confident | 83.5 | Confident | 150 Ų | 150 | 76.4 Ų | 76.4 | 65% | 0.652 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 137.8 | -178.4 | -64.6 | 176.6 | -175.8 | 172.8 | 0 | 112 | N161 | K155-N161 WeakPolarHBondContact CA-O 3.43Å |
| 156 | C | 90.8 | Very high | 83.5 | Confident | 0 Ų | 0 | 81.9 Ų | 81.9 | 0% | 0 | 41% | 0.409 | C | S | . | . | | | trans | -82.2 | 121.5 | 176.9 | -178.4 | 0 | 0 | 0 | 0 | 111.7 | K158 C159 N160 N161 Y163 L169 H172 | C156-K158 PolarHBondContact O-N 3.26Å; C156-C159 VanDerWaalsContact CB-SG 3.56Å; C156-C159 PolarHBondContact O-N 3.16Å; C156-C159 VanDerWaalsContact SG-SG 3.61Å; C156-N160 VanDerWaalsContact O-CA 3.23Å; C156-N160 WeakPolarHBondContact O-CA 3.48Å; C156-N160 PolarHBondContact O-N 2.79Å; C156-N161 PolarHBondContact N-O 3.18Å; C156-Y163 HydrophobicContact CB-CE2 4.13Å; C156-L169 HydrophobicContact CB-CD1 3.61Å; C156-H172 VanDerWaalsContact SG-CD2 3.55Å |
| 157 | S | 89.2 | Confident | 83.8 | Confident | 105 Ų | 105 | 87 Ų | 87 | 73% | 0.734 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -26.9 | 179.7 | 52.5 | 0 | 0 | 0 | 0 | 114.4 | | |
| 158 | K | 85.8 | Confident | 84.1 | Confident | 120 Ų | 120 | 83.7 Ų | 83.7 | 52% | 0.522 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -26.4 | -178.1 | -66.5 | 174.3 | 175.5 | 177.1 | 0 | 114.2 | C156 I173 C176 | C156-K158 PolarHBondContact O-N 3.26Å; K158-I173 PolarHBondContact NZ-O 3.12Å; K158-C176 HydrophobicContact CB-CB 4.48Å; K158-C176 VanDerWaalsContact CB-SG 3.54Å; K158-C176 HydrophobicContact CD-CB 3.86Å; K158-C176 VanDerWaalsContact CD-O 3.25Å; K158-C176 WeakPolarHBondContact CD-O 3.05Å; K158-C176 PolarHBondContact NZ-O 2.94Å |
| 159 | C | 85.4 | Confident | 84.5 | Confident | 44 Ų | 44 | 79.6 Ų | 79.6 | 30% | 0.297 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -142.8 | -0.4 | -169.3 | 68.6 | 0 | 0 | 0 | 0 | 114.8 | C156 N161 H172 | C156-C159 VanDerWaalsContact CB-SG 3.56Å; C156-C159 PolarHBondContact O-N 3.16Å; C156-C159 VanDerWaalsContact SG-SG 3.61Å; C159-N161 PolarHBondContact O-N 2.7Å; C159-N161 PolarHBondContact SG-ND2 3.42Å; C159-N161 VanDerWaalsContact SG-ND2 3.44Å; C159-H172 PolarHBondContact SG-NE2 2.85Å |
| 160 | N | 85.9 | Confident | 84.9 | Confident | 132 Ų | 132 | 82.4 Ų | 82.4 | 71% | 0.706 | 40% | 0.404 | S | S | * | . | | | trans | 57.7 | 3.6 | -175.2 | -64.5 | -54.1 | 0 | 0 | 0 | 116.8 | C156 G162 | C156-N160 VanDerWaalsContact O-CA 3.23Å; C156-N160 WeakPolarHBondContact O-CA 3.48Å; C156-N160 PolarHBondContact O-N 2.79Å; N160-G162 PolarHBondContact O-N 2.68Å |
| 161 | N | 84.4 | Confident | 85.4 | Confident | 81 Ų | 81 | 88.5 Ų | 88.5 | 43% | 0.433 | 42% | 0.423 | S | S | . | . | | | trans | -60.8 | 136.3 | 172.4 | -74.7 | -42.1 | 0 | 0 | 0 | 111 | K155 C156 C159 Y163 | K155-N161 WeakPolarHBondContact CA-O 3.43Å; C156-N161 PolarHBondContact N-O 3.18Å; C159-N161 PolarHBondContact O-N 2.7Å; C159-N161 PolarHBondContact SG-ND2 3.42Å; C159-N161 VanDerWaalsContact SG-ND2 3.44Å; N161-Y163 HydrophobicContact CB-CE2 3.72Å; N161-Y163 WeakPolarHBondContact CB-OH 3.29Å; N161-Y163 WeakPolarHBondContact O-CD2 3.39Å; N161-Y163 VanDerWaalsContact O-CE2 3.29Å; N161-Y163 WeakPolarHBondContact O-CE2 3.49Å |
| 162 | G | 86.5 | Confident | 85.9 | Confident | 15 Ų | 15 | 83.9 Ų | 83.9 | 16% | 0.155 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 142.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | K152 H154 N160 | K152-G162 WeakPolarHBondContact CD-O 3.43Å; K152-G162 WeakPolarHBondContact CE-O 3.25Å; K152-G162 WeakPolarHBondContact CG-O 3.39Å; H154-G162 CarbonylContact O-C 3.54Å; H154-G162 WeakPolarHBondContact O-CA 3.31Å; N160-G162 PolarHBondContact O-N 2.68Å |
| 163 | Y | 86 | Confident | 86.3 | Confident | 50 Ų | 50 | 82 Ų | 82 | 20% | 0.196 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 147.3 | -177.4 | -60.9 | -87.1 | 0 | 0 | 0 | 110 | K152 K153 H154 C156 N161 D168 L169 H172 | K152-Y163 CarbonylContact C-O 3.33Å; K152-Y163 WeakPolarHBondContact CA-O 3.46Å; K153-Y163 PolarHBondContact N-O 2.7Å; H154-Y163 PolarHBondContact N-O 3.26Å; H154-Y163 PolarHBondContact O-N 3.13Å; C156-Y163 HydrophobicContact CB-CE2 4.13Å; N161-Y163 HydrophobicContact CB-CE2 3.72Å; N161-Y163 WeakPolarHBondContact CB-OH 3.29Å; N161-Y163 WeakPolarHBondContact O-CD2 3.39Å; N161-Y163 VanDerWaalsContact O-CE2 3.29Å; N161-Y163 WeakPolarHBondContact O-CE2 3.49Å; Y163-D168 HydrophobicContact CD1-CB 4.08Å; Y163-D168 HydrophobicContact CG-CB 4.5Å; Y163-L169 HydrophobicContact CD2-CB 4.26Å; Y163-L169 HydrophobicContact CD2-CD1 3.85Å; Y163-L169 HydrophobicContact CE2-CD1 4.31Å; Y163-L169 HydrophobicContact CG-CB 4.36Å; Y163-H172 HydrophobicContact CE1-CB 4.04Å; Y163-H172 HydrophobicContact CE2-CB 4.15Å; Y163-H172 AromaticContact CE2-CD2 3.49Å; Y163-H172 VanDerWaalsContact CE2-CD2 3.49Å; Y163-H172 WeakPolarHBondContact CE2-CD2 3.41Å; Y163-H172 AromaticContact CE2-CG 3.86Å; Y163-H172 AromaticContact CZ-CD2 3.49Å; Y163-H172 VanDerWaalsContact CZ-CD2 3.49Å; Y163-H172 AromaticContact CZ-CG 3.45Å; Y163-H172 VanDerWaalsContact CZ-CG 3.45Å; Y163-H172 PolarHBondContact OH-CD2 3.49Å; Y163-H172 PolarHBondContact OH-CE1 3.42Å; Y163-H172 PolarHBondContact OH-ND1 3.04Å; Y163-H172 PolarHBondContact OH-NE2 2.78Å |
| 164 | S | 82.7 | Confident | 86.6 | Confident | 32 Ų | 32 | 80.5 Ų | 80.5 | 22% | 0.224 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -86.9 | -12.7 | -178 | 45.5 | 0 | 0 | 0 | 0 | 113.6 | M146 | M146-S164 WeakPolarHBondContact O-CB 3.49Å; M146-S164 PolarHBondContact O-OG 3.25Å |
| 165 | T | 82.3 | Confident | 86.6 | Confident | 43 Ų | 43 | 81.1 Ų | 81.1 | 26% | 0.264 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -131.8 | 151.1 | 171.4 | 81.4 | 0 | 0 | 0 | 0 | 110.9 | W167 D168 L169 | T165-W167 VanDerWaalsContact C-N 3.3Å; T165-D168 PolarHBondContact O-N 2.9Å; T165-D168 WeakPolarHBondContact OG1-CB 3.48Å; T165-D168 VanDerWaalsContact OG1-CG 3.26Å; T165-D168 PolarHBondContact OG1-N 3.35Å; T165-D168 PolarHBondContact OG1-OD2 3.29Å; T165-L169 PolarHBondContact O-N 3.44Å; T165-L169 VanDerWaalsContact O-N 3.16Å |
| 166 | E | 85.5 | Confident | 86.5 | Confident | 131 Ų | 131 | 74.7 Ų | 74.7 | 61% | 0.612 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -64.4 | -36 | 173.4 | -163.2 | -165 | 146.4 | 0 | 0 | 111.9 | H154 D168 L169 K170 | H154-E166 PolarHBondContact CD2-N 3.12Å; E166-D168 VanDerWaalsContact C-N 3.34Å; E166-D168 PolarHBondContact O-N 2.98Å; E166-L169 CarbonylContact O-C 3.58Å; E166-L169 WeakPolarHBondContact O-CB 3.41Å; E166-L169 PolarHBondContact O-N 3.36Å; E166-K170 WeakPolarHBondContact O-CB 3.49Å; E166-K170 PolarHBondContact O-N 2.88Å |
| 167 | W | 85.8 | Confident | 86.2 | Confident | 182 Ų | 182 | 78.2 Ų | 78.2 | 69% | 0.689 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -61.5 | -41.4 | 177.1 | 177.6 | -100.7 | 0 | 0 | 0 | 112.2 | T165 K170 R171 | T165-W167 VanDerWaalsContact C-N 3.3Å; W167-K170 PolarHBondContact O-N 2.91Å; W167-R171 WeakPolarHBondContact O-CB 3.46Å; W167-R171 PolarHBondContact O-N 3.35Å |
| 168 | D | 86 | Confident | 86 | Confident | 43 Ų | 43 | 77.8 Ų | 77.8 | 23% | 0.23 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67 | -38.4 | 174.2 | -71.8 | -55.1 | 0 | 0 | 0 | 112.1 | Y163 T165 E166 R171 H172 | Y163-D168 HydrophobicContact CD1-CB 4.08Å; Y163-D168 HydrophobicContact CG-CB 4.5Å; T165-D168 PolarHBondContact O-N 2.9Å; T165-D168 WeakPolarHBondContact OG1-CB 3.48Å; T165-D168 VanDerWaalsContact OG1-CG 3.26Å; T165-D168 PolarHBondContact OG1-N 3.35Å; T165-D168 PolarHBondContact OG1-OD2 3.29Å; E166-D168 VanDerWaalsContact C-N 3.34Å; E166-D168 PolarHBondContact O-N 2.98Å; D168-R171 IonicContact OD1-CZ 3.64Å; D168-R171 IonicContact OD1-NE 3.81Å; D168-R171 IonicContact OD1-NH2 2.68Å; D168-R171 PolarHBondContact OD1-NH2 2.9Å; D168-H172 VanDerWaalsContact O-CB 3.26Å; D168-H172 WeakPolarHBondContact O-CB 3.42Å; D168-H172 PolarHBondContact O-N 3.35Å |
| 169 | L | 88.4 | Confident | 86 | Confident | 22 Ų | 22 | 76.6 Ų | 76.6 | 12% | 0.115 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.7 | -47.2 | 171.7 | 173.7 | 62.5 | 0 | 0 | 0 | 111.2 | H154 C156 Y163 T165 E166 H172 I173 | H154-L169 HydrophobicContact CB-CB 3.87Å; H154-L169 HydrophobicContact CB-CD2 3.73Å; H154-L169 HydrophobicContact CB-CG 4.35Å; C156-L169 HydrophobicContact CB-CD1 3.61Å; Y163-L169 HydrophobicContact CD2-CB 4.26Å; Y163-L169 HydrophobicContact CD2-CD1 3.85Å; Y163-L169 HydrophobicContact CE2-CD1 4.31Å; Y163-L169 HydrophobicContact CG-CB 4.36Å; T165-L169 PolarHBondContact O-N 3.44Å; T165-L169 VanDerWaalsContact O-N 3.16Å; E166-L169 CarbonylContact O-C 3.58Å; E166-L169 WeakPolarHBondContact O-CB 3.41Å; E166-L169 PolarHBondContact O-N 3.36Å; L169-H172 CarbonylContact O-C 3.55Å; L169-H172 WeakPolarHBondContact O-CA 3.13Å; L169-H172 WeakPolarHBondContact O-CB 3.5Å; L169-H172 PolarHBondContact O-N 2.79Å; L169-H172 VanDerWaalsContact O-N 3.12Å; L169-I173 HydrophobicContact CD1-CD1 3.75Å; L169-I173 HydrophobicContact CD1-CG1 3.84Å; L169-I173 HydrophobicContact CD2-CD1 4.16Å; L169-I173 HydrophobicContact CG-CD1 3.68Å; L169-I173 HydrophobicContact CG-CG1 4.21Å; L169-I173 WeakPolarHBondContact O-CG1 3.35Å; L169-I173 PolarHBondContact O-N 2.87Å |
| 170 | K | 88.7 | Confident | 86.1 | Confident | 113 Ų | 113 | 75 Ų | 75 | 49% | 0.491 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.7 | -51.8 | -178.8 | -177.7 | 169.9 | -177.2 | 167.5 | 0 | 111.5 | E166 W167 H172 I173 E174 | E166-K170 WeakPolarHBondContact O-CB 3.49Å; E166-K170 PolarHBondContact O-N 2.88Å; W167-K170 PolarHBondContact O-N 2.91Å; K170-H172 PolarHBondContact O-N 3.2Å; K170-I173 PolarHBondContact O-N 3.38Å; K170-I173 VanDerWaalsContact O-N 3.12Å; K170-E174 WeakPolarHBondContact O-CG 3.45Å; K170-E174 PolarHBondContact O-N 3.17Å; K170-E174 VanDerWaalsContact O-N 3.13Å |
| 171 | R | 88.6 | Confident | 86.2 | Confident | 144 Ų | 144 | 73.9 Ų | 73.9 | 54% | 0.543 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -55.9 | -36 | 172.9 | 177.9 | 170.4 | 62.7 | 144.9 | -4.6 | 112.1 | W167 D168 | W167-R171 WeakPolarHBondContact O-CB 3.46Å; W167-R171 PolarHBondContact O-N 3.35Å; D168-R171 IonicContact OD1-CZ 3.64Å; D168-R171 IonicContact OD1-NE 3.81Å; D168-R171 IonicContact OD1-NH2 2.68Å; D168-R171 PolarHBondContact OD1-NH2 2.9Å |
| 172 | H | 88 | Confident | 86.5 | Confident | 43 Ų | 43 | 70.4 Ų | 70.4 | 20% | 0.199 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -72 | -44.6 | 174.5 | 179 | 62.4 | 0 | 0 | 0 | 112.9 | C156 C159 Y163 D168 L169 K170 E174 D175 C176 | C156-H172 VanDerWaalsContact SG-CD2 3.55Å; C159-H172 PolarHBondContact SG-NE2 2.85Å; Y163-H172 HydrophobicContact CE1-CB 4.04Å; Y163-H172 HydrophobicContact CE2-CB 4.15Å; Y163-H172 AromaticContact CE2-CD2 3.49Å; Y163-H172 VanDerWaalsContact CE2-CD2 3.49Å; Y163-H172 WeakPolarHBondContact CE2-CD2 3.41Å; Y163-H172 AromaticContact CE2-CG 3.86Å; Y163-H172 AromaticContact CZ-CD2 3.49Å; Y163-H172 VanDerWaalsContact CZ-CD2 3.49Å; Y163-H172 AromaticContact CZ-CG 3.45Å; Y163-H172 VanDerWaalsContact CZ-CG 3.45Å; Y163-H172 PolarHBondContact OH-CD2 3.49Å; Y163-H172 PolarHBondContact OH-CE1 3.42Å; Y163-H172 PolarHBondContact OH-ND1 3.04Å; Y163-H172 PolarHBondContact OH-NE2 2.78Å; D168-H172 VanDerWaalsContact O-CB 3.26Å; D168-H172 WeakPolarHBondContact O-CB 3.42Å; D168-H172 PolarHBondContact O-N 3.35Å; L169-H172 CarbonylContact O-C 3.55Å; L169-H172 WeakPolarHBondContact O-CA 3.13Å; L169-H172 WeakPolarHBondContact O-CB 3.5Å; L169-H172 PolarHBondContact O-N 2.79Å; L169-H172 VanDerWaalsContact O-N 3.12Å; K170-H172 PolarHBondContact O-N 3.2Å; H172-E174 PolarHBondContact O-N 3.17Å; H172-D175 CarbonylContact O-C 3.6Å; H172-D175 PolarHBondContact O-N 3.26Å; H172-D175 VanDerWaalsContact O-N 3.11Å; H172-C176 WeakPolarHBondContact NE2-CB 3.34Å; H172-C176 PolarHBondContact NE2-SG 3.24Å; H172-C176 WeakPolarHBondContact O-CA 3.41Å; H172-C176 WeakPolarHBondContact O-CB 3.49Å; H172-C176 PolarHBondContact O-N 3.06Å |
| 173 | I | 88.3 | Confident | 86.5 | Confident | 64 Ų | 64 | 73.9 Ų | 73.9 | 33% | 0.328 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -57.7 | -36.9 | 179.8 | -73.5 | 168.8 | 0 | 0 | 0 | 111.4 | K158 L169 K170 D175 | K158-I173 PolarHBondContact NZ-O 3.12Å; L169-I173 HydrophobicContact CD1-CD1 3.75Å; L169-I173 HydrophobicContact CD1-CG1 3.84Å; L169-I173 HydrophobicContact CD2-CD1 4.16Å; L169-I173 HydrophobicContact CG-CD1 3.68Å; L169-I173 HydrophobicContact CG-CG1 4.21Å; L169-I173 WeakPolarHBondContact O-CG1 3.35Å; L169-I173 PolarHBondContact O-N 2.87Å; K170-I173 PolarHBondContact O-N 3.38Å; K170-I173 VanDerWaalsContact O-N 3.12Å; I173-D175 VanDerWaalsContact C-N 3.34Å; I173-D175 PolarHBondContact O-N 3.46Å |
| 174 | E | 87.4 | Confident | 86.7 | Confident | 114 Ų | 114 | 74 Ų | 74 | 53% | 0.533 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.4 | -38.7 | 176.8 | -74.4 | 172 | -164 | 0 | 0 | 112.9 | K170 H172 K178 | K170-E174 WeakPolarHBondContact O-CG 3.45Å; K170-E174 PolarHBondContact O-N 3.17Å; K170-E174 VanDerWaalsContact O-N 3.13Å; H172-E174 PolarHBondContact O-N 3.17Å; E174-K178 WeakPolarHBondContact O-CE 3.18Å; E174-K178 PolarHBondContact O-NZ 2.83Å |
| 175 | D | 83 | Confident | 86.9 | Confident | 76 Ų | 76 | 75.1 Ų | 75.1 | 41% | 0.406 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -101.7 | -14.4 | 179.1 | -82.1 | -20.9 | 0 | 0 | 0 | 114.4 | H172 I173 K178 Y180 | H172-D175 CarbonylContact O-C 3.6Å; H172-D175 PolarHBondContact O-N 3.26Å; H172-D175 VanDerWaalsContact O-N 3.11Å; I173-D175 VanDerWaalsContact C-N 3.34Å; I173-D175 PolarHBondContact O-N 3.46Å; D175-K178 WeakPolarHBondContact O-CB 3.39Å; D175-K178 PolarHBondContact O-N 2.87Å; D175-K178 IonicContact OD1-NZ 2.7Å; D175-K178 PolarHBondContact OD1-NZ 2.87Å; D175-Y180 PolarHBondContact OD1-OH 2.94Å; D175-Y180 VanDerWaalsContact OD1-OH 3.11Å |
| 176 | C | 88.3 | Confident | 87.2 | Confident | 15 Ų | 15 | 75.3 Ų | 75.3 | 10% | 0.101 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | 133.7 | -177.9 | -171.7 | 0 | 0 | 0 | 0 | 111.5 | K158 H172 K178 | K158-C176 HydrophobicContact CB-CB 4.48Å; K158-C176 VanDerWaalsContact CB-SG 3.54Å; K158-C176 HydrophobicContact CD-CB 3.86Å; K158-C176 VanDerWaalsContact CD-O 3.25Å; K158-C176 WeakPolarHBondContact CD-O 3.05Å; K158-C176 PolarHBondContact NZ-O 2.94Å; H172-C176 WeakPolarHBondContact NE2-CB 3.34Å; H172-C176 PolarHBondContact NE2-SG 3.24Å; H172-C176 WeakPolarHBondContact O-CA 3.41Å; H172-C176 WeakPolarHBondContact O-CB 3.49Å; H172-C176 PolarHBondContact O-N 3.06Å; C176-K178 VanDerWaalsContact C-N 3.27Å; C176-K178 PolarHBondContact O-N 2.76Å |
| 177 | G | 83.9 | Confident | 87.4 | Confident | 74 Ų | 74 | 73.2 Ų | 73.2 | 76% | 0.763 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | 0.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114.6 | T179 | G177-T179 PolarHBondContact O-N 2.78Š|
| 178 | K | 85.3 | Confident | 87.5 | Confident | 96 Ų | 96 | 66.8 Ų | 66.8 | 42% | 0.417 | 37% | 0.373 | S | S | . | . | | | trans | -75.4 | 119.7 | 166.6 | -67.9 | 179.2 | -174.5 | 155.5 | 0 | 109.6 | E174 D175 C176 Y180 | E174-K178 WeakPolarHBondContact O-CE 3.18Å; E174-K178 PolarHBondContact O-NZ 2.83Å; D175-K178 WeakPolarHBondContact O-CB 3.39Å; D175-K178 PolarHBondContact O-N 2.87Å; D175-K178 IonicContact OD1-NZ 2.7Å; D175-K178 PolarHBondContact OD1-NZ 2.87Å; C176-K178 VanDerWaalsContact C-N 3.27Å; C176-K178 PolarHBondContact O-N 2.76Å; K178-Y180 HydrophobicContact CB-CD2 4.23Å; K178-Y180 HydrophobicContact CB-CE2 3.57Å; K178-Y180 WeakPolarHBondContact CD-OH 3.44Å; K178-Y180 VanDerWaalsContact O-CD2 3.29Å; K178-Y180 WeakPolarHBondContact O-CD2 3.23Å; K178-Y180 WeakPolarHBondContact O-CE2 3.4Å |
| 179 | T | 86.1 | Confident | 87.5 | Confident | 94 Ų | 94 | 69.5 Ų | 69.5 | 58% | 0.577 | 40% | 0.402 | S | S | * | . | | | trans | -78.2 | 135.9 | 159.6 | 41.7 | 0 | 0 | 0 | 0 | 109 | G177 | G177-T179 PolarHBondContact O-N 2.78Š|
| 180 | Y | 86.4 | Confident | 87.4 | Confident | 11 Ų | 11 | 70.4 Ų | 70.4 | 4% | 0.043 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 103.5 | -179.7 | -69 | -89.7 | 0 | 0 | 0 | 108.1 | D175 K178 Y188 S190 R191 H209 | D175-Y180 PolarHBondContact OD1-OH 2.94Å; D175-Y180 VanDerWaalsContact OD1-OH 3.11Å; K178-Y180 HydrophobicContact CB-CD2 4.23Å; K178-Y180 HydrophobicContact CB-CE2 3.57Å; K178-Y180 WeakPolarHBondContact CD-OH 3.44Å; K178-Y180 VanDerWaalsContact O-CD2 3.29Å; K178-Y180 WeakPolarHBondContact O-CD2 3.23Å; K178-Y180 WeakPolarHBondContact O-CE2 3.4Å; Y180-Y188 PolarHBondContact N-O 3.3Å; Y180-Y188 WeakPolarHBondContact O-CB 3.43Å; Y180-Y188 WeakPolarHBondContact O-CD2 3.39Å; Y180-Y188 PolarHBondContact O-N 3.31Å; Y180-S190 VanDerWaalsContact CD2-C 3.44Å; Y180-R191 HydrophobicContact CD1-CB 4.02Å; Y180-R191 HydrophobicContact CD1-CG 4.19Å; Y180-R191 HydrophobicContact CD2-CB 4.43Å; Y180-R191 VanDerWaalsContact CD2-N 3.31Å; Y180-R191 HydrophobicContact CE1-CB 3.68Å; Y180-R191 HydrophobicContact CE1-CG 3.93Å; Y180-R191 HydrophobicContact CE2-CB 4.11Å; Y180-R191 HydrophobicContact CG-CB 4.37Å; Y180-H209 AromaticContact CD1-CE1 3.79Å; Y180-H209 AromaticContact CD1-CG 3.93Å; Y180-H209 AromaticContact CD1-ND1 3.74Å; Y180-H209 AromaticContact CD1-NE2 3.98Å |
| 181 | E | 87.8 | Confident | 87.3 | Confident | 109 Ų | 109 | 69 Ų | 69 | 51% | 0.509 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 149.4 | -178.1 | -71 | 177.5 | -162.3 | 0 | 0 | 111 | P187 L194 P206 H209 | E181-P187 HydrophobicContact CG-CB 4.04Å; E181-L194 WeakPolarHBondContact O-CD2 3.29Å; E181-P206 WeakPolarHBondContact O-CG 3.34Å; E181-H209 PolarHBondContact N-NE2 2.91Å |
| 182 | C | 91.3 | Very high | 87.3 | Confident | 7 Ų | 7 | 64 Ų | 64 | 5% | 0.047 | 39% | 0.39 | C | S | . | . | | | trans | -97.3 | 160.6 | 171 | -169.1 | 0 | 0 | 0 | 0 | 110.7 | C184 G185 C186 Y188 L194 H197 | C182-C184 PolarHBondContact O-N 2.75Å; C182-G185 PolarHBondContact O-N 3.46Å; C182-C186 PolarHBondContact N-O 3.11Å; C182-Y188 HydrophobicContact CB-CE2 4.02Å; C182-L194 HydrophobicContact CB-CD1 3.52Å; C182-H197 PolarHBondContact SG-CD2 3.49Å |
| 183 | T | 87.4 | Confident | 87.4 | Confident | 89 Ų | 89 | 63.1 Ų | 63.1 | 55% | 0.546 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -15.8 | 172.2 | 48.5 | 0 | 0 | 0 | 0 | 114 | E204 P206 | T183-E204 WeakPolarHBondContact CG2-O 3.4Å; T183-E204 PolarHBondContact OG1-O 3.3Å; T183-P206 HydrophobicContact CG2-CG 4.16Å |
| 184 | C | 89.5 | Confident | 87.5 | Confident | 53 Ų | 53 | 60.1 Ų | 60.1 | 36% | 0.358 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 10.2 | 170.2 | 71 | 0 | 0 | 0 | 0 | 114.8 | C182 C186 H203 | C182-C184 PolarHBondContact O-N 2.75Å; C184-C186 VanDerWaalsContact C-N 3.29Å; C184-C186 PolarHBondContact O-N 3.3Å; C184-H203 VanDerWaalsContact CB-CE1 3.43Å; C184-H203 WeakPolarHBondContact CB-CE1 3.24Å |
| 185 | G | 87.6 | Confident | 87.6 | Confident | 54 Ų | 54 | 57.4 Ų | 57.4 | 56% | 0.557 | 36% | 0.364 | S | S | * | . | S | Bend | trans | 75.1 | 7.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | C182 P187 | C182-G185 PolarHBondContact O-N 3.46Å; G185-P187 WeakPolarHBondContact O-CD 3.43Å |
| 186 | C | 87.8 | Confident | 88.1 | Confident | 48 Ų | 48 | 55.7 Ų | 55.7 | 32% | 0.324 | 36% | 0.358 | S | S | . | . | | | trans | -83.4 | 123.3 | 176.4 | -62.6 | 0 | 0 | 0 | 0 | 111 | C182 C184 Y188 | C182-C186 PolarHBondContact N-O 3.11Å; C184-C186 VanDerWaalsContact C-N 3.29Å; C184-C186 PolarHBondContact O-N 3.3Å; C186-Y188 HydrophobicContact CB-CE2 3.69Å; C186-Y188 WeakPolarHBondContact CB-OH 3.34Å; C186-Y188 WeakPolarHBondContact O-CD2 3.45Å; C186-Y188 VanDerWaalsContact O-CE2 3.24Å; C186-Y188 WeakPolarHBondContact O-CE2 3.46Å |
| 187 | P | 89.7 | Confident | 88.2 | Confident | 87 Ų | 87 | 57.4 Ų | 57.4 | 57% | 0.565 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 137.6 | 175.4 | 32.9 | -33.7 | 0 | 0 | 0 | 112.1 | E181 G185 | E181-P187 HydrophobicContact CG-CB 4.04Å; G185-P187 WeakPolarHBondContact O-CD 3.43Å |
| 188 | Y | 88.9 | Confident | 88.6 | Confident | 47 Ų | 47 | 54.7 Ų | 54.7 | 18% | 0.184 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 134.6 | 177.1 | -63.2 | -83 | 0 | 0 | 0 | 111.5 | Y180 C182 C186 S190 A193 L194 H197 | Y180-Y188 PolarHBondContact N-O 3.3Å; Y180-Y188 WeakPolarHBondContact O-CB 3.43Å; Y180-Y188 WeakPolarHBondContact O-CD2 3.39Å; Y180-Y188 PolarHBondContact O-N 3.31Å; C182-Y188 HydrophobicContact CB-CE2 4.02Å; C186-Y188 HydrophobicContact CB-CE2 3.69Å; C186-Y188 WeakPolarHBondContact CB-OH 3.34Å; C186-Y188 WeakPolarHBondContact O-CD2 3.45Å; C186-Y188 VanDerWaalsContact O-CE2 3.24Å; C186-Y188 WeakPolarHBondContact O-CE2 3.46Å; Y188-S190 PolarHBondContact O-N 3.35Å; Y188-S190 VanDerWaalsContact O-N 3.15Å; Y188-A193 HydrophobicContact CD1-CB 3.99Å; Y188-A193 HydrophobicContact CG-CB 4.41Å; Y188-L194 HydrophobicContact CD2-CB 4.04Å; Y188-L194 HydrophobicContact CD2-CD1 3.78Å; Y188-L194 HydrophobicContact CE2-CD1 4.12Å; Y188-L194 HydrophobicContact CG-CB 4.23Å; Y188-H197 HydrophobicContact CE1-CB 4.09Å; Y188-H197 HydrophobicContact CE2-CB 4.17Å; Y188-H197 AromaticContact CE2-CD2 3.91Å; Y188-H197 AromaticContact CE2-CG 3.97Å; Y188-H197 AromaticContact CZ-CD2 4Å; Y188-H197 AromaticContact CZ-CG 3.61Å; Y188-H197 AromaticContact CZ-ND1 3.94Å; Y188-H197 PolarHBondContact OH-CE1 3.29Å; Y188-H197 VanDerWaalsContact OH-CE1 3.24Å; Y188-H197 PolarHBondContact OH-ND1 3.17Å; Y188-H197 VanDerWaalsContact OH-ND1 3.08Å |
| 189 | A | 85.4 | Confident | 88.8 | Confident | 100 Ų | 100 | 60 Ų | 60 | 83% | 0.826 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -73.8 | 2.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 190 | S | 86.6 | Confident | 89.1 | Confident | 41 Ų | 41 | 65.6 Ų | 65.6 | 29% | 0.287 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -157 | 149.9 | 173.4 | 70.7 | 0 | 0 | 0 | 0 | 112.7 | Y180 Y188 A192 A193 L194 | Y180-S190 VanDerWaalsContact CD2-C 3.44Å; Y188-S190 PolarHBondContact O-N 3.35Å; Y188-S190 VanDerWaalsContact O-N 3.15Å; S190-A192 VanDerWaalsContact C-N 3.25Å; S190-A192 PolarHBondContact O-N 3.17Å; S190-A193 PolarHBondContact O-N 3.19Å; S190-A193 VanDerWaalsContact O-N 3.16Å; S190-A193 WeakPolarHBondContact OG-CB 3.28Å; S190-A193 PolarHBondContact OG-N 3.11Å; S190-L194 PolarHBondContact O-N 2.85Å; S190-L194 VanDerWaalsContact O-N 3.12Å |
| 191 | R | 86.1 | Confident | 89.3 | Confident | 83 Ų | 83 | 67.8 Ų | 67.8 | 31% | 0.313 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -57.6 | -36.8 | 175.1 | -165 | 174.2 | -177.3 | -107.9 | -5.2 | 112.8 | Y180 L194 L195 H209 | Y180-R191 HydrophobicContact CD1-CB 4.02Å; Y180-R191 HydrophobicContact CD1-CG 4.19Å; Y180-R191 HydrophobicContact CD2-CB 4.43Å; Y180-R191 VanDerWaalsContact CD2-N 3.31Å; Y180-R191 HydrophobicContact CE1-CB 3.68Å; Y180-R191 HydrophobicContact CE1-CG 3.93Å; Y180-R191 HydrophobicContact CE2-CB 4.11Å; Y180-R191 HydrophobicContact CG-CB 4.37Å; R191-L194 PolarHBondContact O-N 2.85Å; R191-L195 HydrophobicContact CG-CD1 4.13Å; R191-L195 HydrophobicContact CG-CG 4.48Å; R191-L195 WeakPolarHBondContact O-CB 3.42Å; R191-L195 VanDerWaalsContact O-CG 3.28Å; R191-L195 WeakPolarHBondContact O-CG 3.16Å; R191-L195 PolarHBondContact O-N 3.31Å; R191-H209 PolarHBondContact NE-O 2.83Å; R191-H209 PolarHBondContact NH2-O 2.93Å |
| 192 | A | 88.3 | Confident | 89.3 | Confident | 38 Ų | 38 | 65.9 Ų | 65.9 | 31% | 0.314 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.8 | -38.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S190 S196 | S190-A192 VanDerWaalsContact C-N 3.25Å; S190-A192 PolarHBondContact O-N 3.17Å; A192-S196 WeakPolarHBondContact O-CB 3.42Å; A192-S196 PolarHBondContact O-N 3.2Å; A192-S196 PolarHBondContact O-OG 3.05Å |
| 193 | A | 89.5 | Confident | 89.1 | Confident | 26 Ų | 26 | 68.4 Ų | 68.4 | 22% | 0.215 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -68.3 | -43.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y188 S190 S196 H197 | Y188-A193 HydrophobicContact CD1-CB 3.99Å; Y188-A193 HydrophobicContact CG-CB 4.41Å; S190-A193 PolarHBondContact O-N 3.19Å; S190-A193 VanDerWaalsContact O-N 3.16Å; S190-A193 WeakPolarHBondContact OG-CB 3.28Å; S190-A193 PolarHBondContact OG-N 3.11Å; A193-S196 PolarHBondContact O-N 3.44Å; A193-H197 PolarHBondContact O-N 2.92Å |
| 194 | L | 91 | Very high | 88.7 | Confident | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.005 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -58.3 | -49.3 | 174.2 | 173 | 62.6 | 0 | 0 | 0 | 111.6 | E181 C182 Y188 S190 R191 S196 H197 I198 H209 | E181-L194 WeakPolarHBondContact O-CD2 3.29Å; C182-L194 HydrophobicContact CB-CD1 3.52Å; Y188-L194 HydrophobicContact CD2-CB 4.04Å; Y188-L194 HydrophobicContact CD2-CD1 3.78Å; Y188-L194 HydrophobicContact CE2-CD1 4.12Å; Y188-L194 HydrophobicContact CG-CB 4.23Å; S190-L194 PolarHBondContact O-N 2.85Å; S190-L194 VanDerWaalsContact O-N 3.12Å; R191-L194 PolarHBondContact O-N 2.85Å; L194-S196 VanDerWaalsContact C-N 3.32Å; L194-S196 PolarHBondContact O-N 3.44Å; L194-H197 PolarHBondContact O-N 2.89Å; L194-I198 HydrophobicContact CD1-CD1 3.69Å; L194-I198 HydrophobicContact CD1-CG1 4.15Å; L194-I198 HydrophobicContact CD2-CD1 4.33Å; L194-I198 HydrophobicContact CG-CD1 3.73Å; L194-I198 WeakPolarHBondContact O-CB 3.36Å; L194-I198 WeakPolarHBondContact O-CG1 3.32Å; L194-I198 PolarHBondContact O-N 3.34Å; L194-H209 HydrophobicContact CD2-CB 4.18Å; L194-H209 VanDerWaalsContact CD2-CD2 3.4Å; L194-H209 WeakPolarHBondContact CD2-CD2 3.46Å |
| 195 | L | 89.8 | Confident | 88.1 | Confident | 56 Ų | 56 | 70.1 Ų | 70.1 | 29% | 0.293 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62 | -38.7 | 177.9 | -71.6 | 170 | 0 | 0 | 0 | 112.2 | R191 I198 Y199 I205 | R191-L195 HydrophobicContact CG-CD1 4.13Å; R191-L195 HydrophobicContact CG-CG 4.48Å; R191-L195 WeakPolarHBondContact O-CB 3.42Å; R191-L195 VanDerWaalsContact O-CG 3.28Å; R191-L195 WeakPolarHBondContact O-CG 3.16Å; R191-L195 PolarHBondContact O-N 3.31Å; L195-I198 PolarHBondContact O-N 3.31Å; L195-Y199 WeakPolarHBondContact O-CB 3.47Å; L195-Y199 PolarHBondContact O-N 2.96Å; L195-I205 HydrophobicContact CD2-CD1 4.37Å |
| 196 | S | 92.7 | Very high | 87.5 | Confident | 40 Ų | 40 | 68.8 Ų | 68.8 | 28% | 0.28 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.4 | -34.6 | 176.3 | -59 | 0 | 0 | 0 | 0 | 112.7 | A192 A193 L194 R200 | A192-S196 WeakPolarHBondContact O-CB 3.42Å; A192-S196 PolarHBondContact O-N 3.2Å; A192-S196 PolarHBondContact O-OG 3.05Å; A193-S196 PolarHBondContact O-N 3.44Å; L194-S196 VanDerWaalsContact C-N 3.32Å; L194-S196 PolarHBondContact O-N 3.44Å; S196-R200 WeakPolarHBondContact O-CD 3.48Å; S196-R200 VanDerWaalsContact O-CG 3.24Å; S196-R200 WeakPolarHBondContact O-CG 3.23Å; S196-R200 PolarHBondContact O-N 2.91Å |
| 197 | H | 91.3 | Very high | 86.5 | Confident | 52 Ų | 52 | 71.8 Ų | 71.8 | 24% | 0.241 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -67.3 | -53.8 | 172.3 | 163.6 | 80.9 | 0 | 0 | 0 | 110.6 | C182 Y188 A193 L194 Y199 R200 T201 H203 | C182-H197 PolarHBondContact SG-CD2 3.49Å; Y188-H197 HydrophobicContact CE1-CB 4.09Å; Y188-H197 HydrophobicContact CE2-CB 4.17Å; Y188-H197 AromaticContact CE2-CD2 3.91Å; Y188-H197 AromaticContact CE2-CG 3.97Å; Y188-H197 AromaticContact CZ-CD2 4Å; Y188-H197 AromaticContact CZ-CG 3.61Å; Y188-H197 AromaticContact CZ-ND1 3.94Å; Y188-H197 PolarHBondContact OH-CE1 3.29Å; Y188-H197 VanDerWaalsContact OH-CE1 3.24Å; Y188-H197 PolarHBondContact OH-ND1 3.17Å; Y188-H197 VanDerWaalsContact OH-ND1 3.08Å; A193-H197 PolarHBondContact O-N 2.92Å; L194-H197 PolarHBondContact O-N 2.89Å; H197-Y199 VanDerWaalsContact C-N 3.3Å; H197-Y199 PolarHBondContact O-N 3.43Å; H197-R200 CarbonylContact O-C 3.59Å; H197-R200 WeakPolarHBondContact O-CA 3.31Å; H197-R200 PolarHBondContact O-N 2.85Å; H197-T201 WeakPolarHBondContact NE2-CG2 3.46Å; H197-T201 PolarHBondContact O-N 3.22Å; H197-T201 PolarHBondContact O-OG1 3.35Å; H197-T201 VanDerWaalsContact O-OG1 3.11Å; H197-H203 AromaticContact NE2-CE1 3.55Å; H197-H203 AromaticContact NE2-ND1 3.7Å |
| 198 | I | 91.3 | Very high | 85.3 | Confident | 16 Ų | 16 | 75.8 Ų | 75.8 | 8% | 0.082 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -50.5 | -48.1 | 177.2 | -80.7 | 164.1 | 0 | 0 | 0 | 111.8 | L194 L195 R200 T201 G202 H203 I205 | L194-I198 HydrophobicContact CD1-CD1 3.69Å; L194-I198 HydrophobicContact CD1-CG1 4.15Å; L194-I198 HydrophobicContact CD2-CD1 4.33Å; L194-I198 HydrophobicContact CG-CD1 3.73Å; L194-I198 WeakPolarHBondContact O-CB 3.36Å; L194-I198 WeakPolarHBondContact O-CG1 3.32Å; L194-I198 PolarHBondContact O-N 3.34Å; L195-I198 PolarHBondContact O-N 3.31Å; I198-R200 PolarHBondContact O-N 3.37Å; I198-T201 PolarHBondContact O-N 3.46Å; I198-G202 WeakPolarHBondContact O-CA 3.45Å; I198-G202 PolarHBondContact O-N 2.75Å; I198-H203 HydrophobicContact CG1-CB 4.35Å; I198-H203 VanDerWaalsContact CG2-O 3.23Å; I198-H203 WeakPolarHBondContact CG2-O 3.4Å; I198-I205 HydrophobicContact CD1-CB 4.24Å; I198-I205 HydrophobicContact CD1-CG1 4.03Å; I198-I205 HydrophobicContact CD1-CG2 4.33Å; I198-I205 HydrophobicContact CG2-CG1 3.97Å |
| 199 | Y | 90.4 | Very high | 84.1 | Confident | 208 Ų | 208 | 75 Ų | 75 | 82% | 0.816 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.2 | -30.4 | 179 | -176.5 | -95.2 | 0 | 0 | 0 | 113.1 | L195 H197 | L195-Y199 WeakPolarHBondContact O-CB 3.47Å; L195-Y199 PolarHBondContact O-N 2.96Å; H197-Y199 VanDerWaalsContact C-N 3.3Å; H197-Y199 PolarHBondContact O-N 3.43Å |
| 200 | R | 92.8 | Very high | 83.2 | Confident | 212 Ų | 212 | 75.7 Ų | 75.7 | 80% | 0.8 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -86.9 | -26.9 | 179.6 | -70.3 | 173.4 | -177.4 | -165.2 | 1.2 | 113.7 | S196 H197 I198 | S196-R200 WeakPolarHBondContact O-CD 3.48Å; S196-R200 VanDerWaalsContact O-CG 3.24Å; S196-R200 WeakPolarHBondContact O-CG 3.23Å; S196-R200 PolarHBondContact O-N 2.91Å; H197-R200 CarbonylContact O-C 3.59Å; H197-R200 WeakPolarHBondContact O-CA 3.31Å; H197-R200 PolarHBondContact O-N 2.85Å; I198-R200 PolarHBondContact O-N 3.37Å |
| 201 | T | 90.1 | Very high | 81.8 | Confident | 57 Ų | 57 | 78.1 Ų | 78.1 | 35% | 0.35 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -105.2 | -12.9 | -177.2 | 59.1 | 0 | 0 | 0 | 0 | 114.4 | H197 I198 H203 | H197-T201 WeakPolarHBondContact NE2-CG2 3.46Å; H197-T201 PolarHBondContact O-N 3.22Å; H197-T201 PolarHBondContact O-OG1 3.35Å; H197-T201 VanDerWaalsContact O-OG1 3.11Å; I198-T201 PolarHBondContact O-N 3.46Å; T201-H203 PolarHBondContact O-N 3.16Å; T201-H203 PolarHBondContact OG1-CE1 3.37Å; T201-H203 PolarHBondContact OG1-ND1 3.41Å |
| 202 | G | 88 | Confident | 79.8 | Confident | 69 Ų | 69 | 78.9 Ų | 78.9 | 71% | 0.711 | 41% | 0.413 | S | S | * | . | | | trans | 72.9 | 10.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | I198 | I198-G202 WeakPolarHBondContact O-CA 3.45Å; I198-G202 PolarHBondContact O-N 2.75Å |
| 203 | H | 86.2 | Confident | 77.5 | Confident | 60 Ų | 60 | 82.8 Ų | 82.8 | 28% | 0.278 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 142.8 | 177.7 | -66.2 | 163 | 0 | 0 | 0 | 111.7 | C184 H197 I198 T201 | C184-H203 VanDerWaalsContact CB-CE1 3.43Å; C184-H203 WeakPolarHBondContact CB-CE1 3.24Å; H197-H203 AromaticContact NE2-CE1 3.55Å; H197-H203 AromaticContact NE2-ND1 3.7Å; I198-H203 HydrophobicContact CG1-CB 4.35Å; I198-H203 VanDerWaalsContact CG2-O 3.23Å; I198-H203 WeakPolarHBondContact CG2-O 3.4Å; T201-H203 PolarHBondContact O-N 3.16Å; T201-H203 PolarHBondContact OG1-CE1 3.37Å; T201-H203 PolarHBondContact OG1-ND1 3.41Å |
| 204 | E | 79.3 | Confident | 75.4 | Confident | 126 Ų | 126 | 87.6 Ų | 87.6 | 59% | 0.589 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 141.9 | 174.8 | -79.8 | -145.1 | -141.1 | 0 | 0 | 112.8 | T183 P206 R210 | T183-E204 WeakPolarHBondContact CG2-O 3.4Å; T183-E204 PolarHBondContact OG1-O 3.3Å; E204-P206 WeakPolarHBondContact O-CD 3.47Å; E204-R210 IonicContact OE2-CZ 3.5Å; E204-R210 IonicContact OE2-NH1 3.16Å; E204-R210 PolarHBondContact OE2-NH1 3.15Å; E204-R210 VanDerWaalsContact OE2-NH1 3.16Å; E204-R210 IonicContact OE2-NH2 2.83Å; E204-R210 PolarHBondContact OE2-NH2 3.22Å |
| 205 | I | 77.6 | Confident | 73.4 | Confident | 51 Ų | 51 | 97 Ų | 97 | 26% | 0.262 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 120.1 | 172.4 | -49.5 | 167.8 | 0 | 0 | 0 | 108.7 | L195 I198 T207 H209 R210 | L195-I205 HydrophobicContact CD2-CD1 4.37Å; I198-I205 HydrophobicContact CD1-CB 4.24Å; I198-I205 HydrophobicContact CD1-CG1 4.03Å; I198-I205 HydrophobicContact CD1-CG2 4.33Å; I198-I205 HydrophobicContact CG2-CG1 3.97Å; I205-T207 PolarHBondContact O-N 2.98Å; I205-H209 HydrophobicContact CG2-CB 4.43Å; I205-R210 HydrophobicContact CB-CG 3.82Å; I205-R210 HydrophobicContact CG2-CG 3.66Å; I205-R210 PolarHBondContact O-NE 3.34Å; I205-R210 PolarHBondContact O-NH1 3.34Å |
| 206 | P | 75.3 | Confident | 71.2 | Confident | 26 Ų | 26 | 104.2 Ų | 104.2 | 17% | 0.169 | 53% | 0.531 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 140 | 174.6 | -27.1 | 36.1 | 0 | 0 | 0 | 111.6 | E181 T183 E204 E208 H209 R210 | E181-P206 WeakPolarHBondContact O-CG 3.34Å; T183-P206 HydrophobicContact CG2-CG 4.16Å; E204-P206 WeakPolarHBondContact O-CD 3.47Å; P206-E208 PolarHBondContact O-N 3.33Å; P206-H209 PolarHBondContact O-N 3.47Å; P206-R210 PolarHBondContact O-N 3.06Å |
| 207 | T | 65.9 | Low | 69 | Low | 111 Ų | 111 | 113.7 Ų | 113.7 | 68% | 0.681 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | -35 | -178 | 39.3 | 0 | 0 | 0 | 0 | 112.4 | I205 H209 R210 | I205-T207 PolarHBondContact O-N 2.98Å; T207-H209 PolarHBondContact O-N 2.83Å; T207-R210 PolarHBondContact O-N 3.28Å |
| 208 | E | 64.7 | Low | 66.8 | Low | 172 Ų | 172 | 121.3 Ų | 121.3 | 80% | 0.804 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -20.4 | 175.5 | -59.4 | -179.7 | -168.3 | 0 | 0 | 114 | P206 | P206-E208 PolarHBondContact O-N 3.33Š|
| 209 | H | 63.9 | Low | 64.5 | Low | 31 Ų | 31 | 129.5 Ų | 129.5 | 14% | 0.144 | 63% | 0.633 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -108.9 | -7.7 | 179.9 | -60.2 | -26.5 | 0 | 0 | 0 | 113.2 | Y180 E181 R191 L194 I205 P206 T207 V211 | Y180-H209 AromaticContact CD1-CE1 3.79Å; Y180-H209 AromaticContact CD1-CG 3.93Å; Y180-H209 AromaticContact CD1-ND1 3.74Å; Y180-H209 AromaticContact CD1-NE2 3.98Å; E181-H209 PolarHBondContact N-NE2 2.91Å; R191-H209 PolarHBondContact NE-O 2.83Å; R191-H209 PolarHBondContact NH2-O 2.93Å; L194-H209 HydrophobicContact CD2-CB 4.18Å; L194-H209 VanDerWaalsContact CD2-CD2 3.4Å; L194-H209 WeakPolarHBondContact CD2-CD2 3.46Å; I205-H209 HydrophobicContact CG2-CB 4.43Å; P206-H209 PolarHBondContact O-N 3.47Å; T207-H209 PolarHBondContact O-N 2.83Å; H209-V211 PolarHBondContact O-N 2.78Å |
| 210 | R | 65.9 | Low | 62 | Low | 113 Ų | 113 | 129.1 Ų | 129.1 | 43% | 0.426 | 64% | 0.639 | S | S | . | * | | | trans | -73 | 73.7 | 164.9 | -73.7 | 178.4 | 161.9 | 129.8 | -15.3 | 110.1 | E204 I205 P206 T207 P212 | E204-R210 IonicContact OE2-CZ 3.5Å; E204-R210 IonicContact OE2-NH1 3.16Å; E204-R210 PolarHBondContact OE2-NH1 3.15Å; E204-R210 VanDerWaalsContact OE2-NH1 3.16Å; E204-R210 IonicContact OE2-NH2 2.83Å; E204-R210 PolarHBondContact OE2-NH2 3.22Å; I205-R210 HydrophobicContact CB-CG 3.82Å; I205-R210 HydrophobicContact CG2-CG 3.66Å; I205-R210 PolarHBondContact O-NE 3.34Å; I205-R210 PolarHBondContact O-NH1 3.34Å; P206-R210 PolarHBondContact O-N 3.06Å; T207-R210 PolarHBondContact O-N 3.28Å; R210-P212 WeakPolarHBondContact O-CD 3.41Å |
| 211 | V | 57.5 | Low | 59.3 | Low | 92 Ų | 92 | 128.6 Ų | 128.6 | 56% | 0.558 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 121.9 | 167.8 | 177.6 | 0 | 0 | 0 | 0 | 109 | H209 | H209-V211 PolarHBondContact O-N 2.78Š|
| 212 | P | 44.8 | Very low | 56.8 | Low | 100 Ų | 100 | 134 Ų | 134 | 65% | 0.649 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 140.2 | -178.5 | -25.7 | 34.8 | 0 | 0 | 0 | 111.9 | R210 V214 | R210-P212 WeakPolarHBondContact O-CD 3.41Å; P212-V214 PolarHBondContact O-N 2.98Å |
| 213 | P | 39.1 | Very low | 54.4 | Low | 120 Ų | 120 | 139.1 Ų | 139.1 | 78% | 0.779 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 127.7 | 175.3 | 25.1 | -33.2 | 0 | 0 | 0 | 109.9 | K215 | P213-K215 VanDerWaalsContact C-N 3.28Å; P213-K215 PolarHBondContact O-N 3.47Å |
| 214 | V | 46.9 | Very low | 51.8 | Low | 127 Ų | 127 | 141.7 Ų | 141.7 | 77% | 0.77 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -74.9 | 74.3 | -164.9 | -169.8 | 0 | 0 | 0 | 0 | 111.9 | P212 | P212-V214 PolarHBondContact O-N 2.98Š|
| 215 | K | 48 | Very low | 49.7 | Very low | 197 Ų | 197 | 142.4 Ų | 142.4 | 86% | 0.857 | 72% | 0.716 | S | S | * | * | | | trans | -131.1 | 24.4 | 177.4 | -73 | -165 | 175.5 | -176.8 | 0 | 114.3 | P213 | P213-K215 VanDerWaalsContact C-N 3.28Å; P213-K215 PolarHBondContact O-N 3.47Å |
| 216 | K | 43.7 | Very low | 47.6 | Very low | 208 Ų | 208 | 145.6 Ų | 145.6 | 90% | 0.904 | 74% | 0.743 | S | S | * | * | | | trans | -134.6 | 96.4 | 164.2 | -70.5 | -168.3 | 178 | -176 | 0 | 111.2 | | |
| 217 | R | 46.2 | Very low | 45.3 | Very low | 239 Ų | 239 | 154 Ų | 154 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | | | trans | -110.2 | 152.6 | 156.6 | -89.3 | -176.9 | 169.4 | 156.1 | -2.3 | 108 | | |
| 218 | K | 46.3 | Very low | 43.7 | Very low | 212 Ų | 212 | 158.1 Ų | 158.1 | 92% | 0.922 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 77.4 | 67.4 | 172.8 | -158.9 | -176.8 | -176.7 | -178.8 | 0 | 116.8 | | |
| 219 | M | 42.3 | Very low | 42.1 | Very low | 189 Ų | 189 | 156 Ų | 156 | 93% | 0.931 | 79% | 0.787 | S | S | * | * | S | Bend | | -173.2 | 71 | 129.9 | -176.1 | 167.7 | 160.3 | 0 | 0 | 111.1 | | |
| 220 | E | 38.3 | Very low | 40.3 | Very low | 199 Ų | 199 | 164.4 Ų | 164.4 | 93% | 0.93 | 82% | 0.823 | S | S | * | * | | | trans | -159.9 | 83.1 | 164.4 | -154.1 | 172.8 | 161.1 | 0 | 0 | 110.9 | | |
| 221 | K | 34.6 | Very low | 38.5 | Very low | 201 Ų | 201 | 165.3 Ų | 165.3 | 87% | 0.874 | 84% | 0.84 | S | S | * | * | | | trans | -158.9 | 36 | 171 | -150.5 | -165 | 177 | -169.8 | 0 | 113.4 | | |
| 222 | L | 38.8 | Very low | 37.1 | Very low | 171 Ų | 171 | 169.5 Ų | 169.5 | 90% | 0.895 | 85% | 0.854 | S | S | * | * | S | Bend | trans | -136.9 | 13.6 | -176.6 | -75.2 | 178.3 | 0 | 0 | 0 | 114.9 | | |
| 223 | L | 37.3 | Very low | 36.3 | Very low | 176 Ų | 176 | 170.7 Ų | 170.7 | 92% | 0.921 | 86% | 0.855 | S | S | * | * | S | Bend | trans | -140.6 | 74.1 | 176.5 | -72.3 | 177.7 | 0 | 0 | 0 | 112 | | |
| 224 | S | 32.6 | Very low | 35.9 | Very low | 115 Ų | 115 | 171.3 Ų | 171.3 | 80% | 0.804 | 85% | 0.851 | S | S | * | * | | | trans | -161.8 | 36.2 | 168.8 | 53.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 225 | V | 35.1 | Very low | 34.9 | Very low | 141 Ų | 141 | 170.8 Ų | 170.8 | 86% | 0.855 | 85% | 0.848 | S | S | * | * | | | trans | -128.9 | 67.2 | 170.6 | -170.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 226 | S | 32.8 | Very low | 33.9 | Very low | 118 Ų | 118 | 167.2 Ų | 167.2 | 83% | 0.825 | 84% | 0.842 | S | S | * | * | | | trans | 175.9 | 108.6 | 148.4 | -82.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 227 | E | 27.2 | Very low | 33 | Very low | 202 Ų | 202 | 166.5 Ų | 166.5 | 94% | 0.944 | 84% | 0.842 | S | S | * | * | | | | -165.1 | 146.4 | 119.3 | -109.2 | -177 | 158.1 | 0 | 0 | 110.3 | | |
| 228 | K | 31.6 | Very low | 32 | Very low | 198 Ų | 198 | 160.7 Ų | 160.7 | 86% | 0.861 | 83% | 0.834 | S | S | * | * | | | trans | -118.2 | 124.3 | 177 | -104.1 | -170.7 | 177 | -179.8 | 0 | 109.6 | | |
| 229 | V | 30.2 | Very low | 31.1 | Very low | 127 Ų | 127 | 156.4 Ų | 156.4 | 77% | 0.77 | 83% | 0.825 | S | S | * | * | | | trans | 54.7 | 107 | 143.6 | -174.4 | 0 | 0 | 0 | 0 | 116.8 | | |
| 230 | K | 26.5 | Very low | 30.8 | Very low | 208 Ų | 208 | 153 Ų | 153 | 90% | 0.904 | 82% | 0.818 | S | S | * | * | | | | -149.2 | 146.9 | 117.5 | -120.7 | 171.6 | -175.8 | 177.1 | 0 | 112.7 | | |
| 231 | V | 28.7 | Very low | 30.3 | Very low | 131 Ų | 131 | 148.2 Ų | 148.2 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | | | trans | -103.1 | 135.5 | 177.4 | 174.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 232 | H | 28.9 | Very low | 30.1 | Very low | 180 Ų | 180 | 142.7 Ų | 142.7 | 83% | 0.833 | 80% | 0.803 | S | S | * | * | | | trans | -144.3 | 158.5 | 143.1 | -153.9 | -84.8 | 0 | 0 | 0 | 110.1 | | |
| 233 | D | 26.7 | Very low | 29.9 | Very low | 126 Ų | 126 | 144.5 Ų | 144.5 | 67% | 0.674 | 80% | 0.804 | S | S | * | * | | | trans | -117.1 | 179.8 | -168 | -163 | -0.8 | 0 | 0 | 0 | 111.3 | | |
| 234 | L | 30.8 | Very low | 29.3 | Very low | 133 Ų | 133 | 139.8 Ų | 139.8 | 70% | 0.696 | 80% | 0.798 | S | S | * | * | | | trans | 94.1 | 100 | 169.7 | -81.2 | 69.8 | 0 | 0 | 0 | 120.4 | | |
| 235 | T | 25.7 | Very low | 29.3 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 71% | 0.712 | 79% | 0.793 | S | S | * | * | | | | 66.6 | 102.1 | 107.1 | -52.4 | 0 | 0 | 0 | 0 | 122 | | |
| 236 | V | 27.9 | Very low | 28.8 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 74% | 0.739 | 79% | 0.789 | S | S | * | * | | | | 37.7 | 120.1 | 125.1 | -173.7 | 0 | 0 | 0 | 0 | 120.3 | | |
| 237 | Q | 25.5 | Very low | 28.5 | Very low | 192 Ų | 192 | 139.9 Ų | 139.9 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | | | | -162.8 | 177.5 | 125.1 | -116.6 | 172.7 | 85.1 | 0 | 0 | 116.5 | | |
| 238 | T | 24.3 | Very low | 28.4 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | | | trans | -98.7 | 172.1 | -147.2 | -47.9 | 0 | 0 | 0 | 0 | 115.5 | | |
| 239 | T | 26.8 | Very low | 28.1 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | | | trans | -59.8 | 175.4 | 167.6 | 49.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 240 | P | 37.6 | Very low | 28 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | | | cis | -156.4 | 173.5 | 34.9 | 45.1 | -21.9 | 0 | 0 | 0 | 123 | | |
| 241 | A | 26.9 | Very low | 28.6 | Very low | 98 Ų | 98 | 128.9 Ų | 128.9 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | | | trans | -2.2 | 153.8 | 152.8 | 0 | 0 | 0 | 0 | 0 | 124.4 | | |
| 242 | A | 30.4 | Very low | 28.7 | Very low | 84 Ų | 84 | 127.4 Ų | 127.4 | 69% | 0.694 | 77% | 0.768 | S | S | * | * | | | | -177.1 | 134.4 | 117.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 243 | K | 33.7 | Very low | 28.7 | Very low | 210 Ų | 210 | 125 Ų | 125 | 91% | 0.913 | 76% | 0.761 | S | S | * | * | | | trans | 52.5 | 146.5 | 143.1 | -56.1 | 169.7 | -174.5 | 177.3 | 0 | 119.1 | | |
| 244 | G | 26.5 | Very low | 28.7 | Very low | 77 Ų | 77 | 124 Ų | 124 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | | | cis | 114.5 | 146.3 | 20.2 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 245 | A | 30.6 | Very low | 28.6 | Very low | 84 Ų | 84 | 121.6 Ų | 121.6 | 69% | 0.694 | 76% | 0.764 | S | S | * | * | | | cis | -169.6 | 176.7 | -6.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 246 | T | 26.7 | Very low | 28.7 | Very low | 127 Ų | 127 | 121.6 Ų | 121.6 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | | | trans | 64 | 155.5 | 158.5 | 53.2 | 0 | 0 | 0 | 0 | 118.6 | | |
| 247 | E | 25.6 | Very low | 28.6 | Very low | 164 Ų | 164 | 125.6 Ų | 125.6 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | | | cis | -161.6 | 165.4 | -7.8 | -122.4 | -174.6 | -136.4 | 0 | 0 | 114.5 | | |
| 248 | T | 24.6 | Very low | 28.8 | Very low | 115 Ų | 115 | 122.9 Ų | 122.9 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | | | trans | 43.3 | 121.7 | 140.5 | -50.5 | 0 | 0 | 0 | 0 | 123.4 | | |
| 249 | A | 25.3 | Very low | 28.9 | Very low | 96 Ų | 96 | 124.7 Ų | 124.7 | 79% | 0.793 | 76% | 0.761 | S | S | * | * | | | | 173.5 | 152.2 | 120.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 250 | L | 29.5 | Very low | 29 | Very low | 166 Ų | 166 | 126.9 Ų | 126.9 | 87% | 0.869 | 76% | 0.763 | S | S | * | * | | | trans | -122 | 165 | 167.9 | -83.4 | 167.8 | 0 | 0 | 0 | 109.9 | | |
| 251 | P | 37.6 | Very low | 28.8 | Very low | 127 Ų | 127 | 126.7 Ų | 126.7 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | | | | -145.4 | 178.2 | 118.2 | 37.3 | -21.6 | 0 | 0 | 0 | 115.8 | | |
| 252 | S | 30.5 | Very low | 28.8 | Very low | 100 Ų | 100 | 127.1 Ų | 127.1 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | | | trans | -90.7 | -167.4 | 178.3 | 57.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 253 | D | 29.2 | Very low | 28.6 | Very low | 129 Ų | 129 | 128.7 Ų | 128.7 | 69% | 0.69 | 75% | 0.751 | S | S | * | * | | | cis | -169.8 | 167.8 | 25.5 | -143.6 | -64 | 0 | 0 | 0 | 113.8 | | |
| 254 | S | 28.2 | Very low | 28.5 | Very low | 107 Ų | 107 | 126.4 Ų | 126.4 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | | | trans | 64 | 157.9 | 149.4 | -74.9 | 0 | 0 | 0 | 0 | 121.5 | | |
| 255 | A | 28.7 | Very low | 28.4 | Very low | 82 Ų | 82 | 128 Ų | 128 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | | | cis | -166.5 | 123.4 | -14.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 256 | V | 27.4 | Very low | 28.2 | Very low | 115 Ų | 115 | 128 Ų | 128 | 70% | 0.697 | 74% | 0.743 | S | S | * | * | | | trans | 50.4 | 150.5 | 136.1 | -141.5 | 0 | 0 | 0 | 0 | 125 | | |
| 257 | Y | 26.2 | Very low | 28.1 | Very low | 206 Ų | 206 | 129 Ų | 129 | 81% | 0.808 | 74% | 0.743 | S | S | * | * | | | trans | 90.7 | 147.4 | 154.1 | -62.2 | -46.1 | 0 | 0 | 0 | 119.2 | | |
| 258 | I | 28 | Very low | 29 | Very low | 136 Ų | 136 | 125.6 Ų | 125.6 | 70% | 0.697 | 74% | 0.735 | S | S | * | * | | | cis | -159.8 | 152.9 | -5.4 | -124.8 | 166.1 | 0 | 0 | 0 | 115.7 | | |
| 259 | L | 26.3 | Very low | 29.2 | Very low | 155 Ų | 155 | 127 Ų | 127 | 81% | 0.812 | 73% | 0.734 | S | S | * | * | | | trans | 49.4 | 142 | 159.7 | -96 | 69.1 | 0 | 0 | 0 | 126.2 | | |
| 260 | E | 29 | Very low | 29.6 | Very low | 168 Ų | 168 | 131.4 Ų | 131.4 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | | | trans | -82.5 | 176.4 | 152 | -56.9 | 179.4 | 116.7 | 0 | 0 | 112.6 | | |
| 261 | P | 35 | Very low | 29.6 | Very low | 114 Ų | 114 | 127.2 Ų | 127.2 | 74% | 0.74 | 73% | 0.732 | S | S | * | * | | | | -136.9 | 120.7 | 126.6 | 35.1 | -22.6 | 0 | 0 | 0 | 116 | | |
| 262 | T | 25.3 | Very low | 29.3 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 66% | 0.663 | 74% | 0.737 | S | S | * | * | | | | 20.9 | 140.8 | 124.3 | 24 | 0 | 0 | 0 | 0 | 119.6 | | |
| 263 | N | 27.8 | Very low | 29.7 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 62% | 0.62 | 74% | 0.744 | S | S | * | * | | | | -172.8 | 148.9 | 54.1 | -118 | -33.7 | 0 | 0 | 0 | 114.1 | | |
| 264 | Q | 31 | Very low | 30 | Very low | 162 Ų | 162 | 137.2 Ų | 137.2 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | | | trans | 46.7 | 136.1 | 141.9 | -68.3 | 170.3 | 62.5 | 0 | 0 | 120.2 | | |
| 265 | S | 24.3 | Very low | 30.5 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | | | cis | -159.3 | 179.5 | 21.3 | -137.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 266 | A | 26 | Very low | 31 | Very low | 84 Ų | 84 | 143.8 Ų | 143.8 | 69% | 0.694 | 77% | 0.768 | S | S | * | * | | | cis | -149.4 | -141.5 | 16.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 267 | N | 25.4 | Very low | 31.4 | Very low | 149 Ų | 149 | 146.4 Ų | 146.4 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | | | trans | -162.5 | -176.9 | 179.8 | -117 | -54.1 | 0 | 0 | 0 | 106.7 | | |
| 268 | P | 44.2 | Very low | 32.2 | Very low | 92 Ų | 92 | 142 Ų | 142 | 60% | 0.597 | 77% | 0.774 | S | S | * | * | | | cis | -129.9 | -173.3 | 15.4 | 33.5 | -8.4 | 0 | 0 | 0 | 113.3 | | |
| 269 | H | 28.6 | Very low | 32.9 | Very low | 146 Ų | 146 | 144.8 Ų | 144.8 | 68% | 0.676 | 78% | 0.781 | S | S | * | * | | | cis | -154.2 | 148.7 | 30 | -95 | -58.2 | 0 | 0 | 0 | 114.8 | | |
| 270 | K | 34 | Very low | 33.3 | Very low | 187 Ų | 187 | 143.6 Ų | 143.6 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | | | trans | 54.6 | 97.7 | 141.3 | -61.5 | 171.5 | -177.5 | 175.2 | 0 | 118.7 | | |
| 271 | G | 28.6 | Very low | 33.7 | Very low | 79 Ų | 79 | 145.2 Ų | 145.2 | 81% | 0.814 | 79% | 0.787 | S | S | * | * | | | trans | -93.1 | 173.3 | 154.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 272 | L | 32.7 | Very low | 34 | Very low | 178 Ų | 178 | 149 Ų | 149 | 93% | 0.932 | 80% | 0.797 | S | S | * | * | | | trans | -135.9 | 136.6 | 164.7 | -103.2 | 171.1 | 0 | 0 | 0 | 109.7 | | |
| 273 | Q | 37.9 | Very low | 34.4 | Very low | 178 Ų | 178 | 148.1 Ų | 148.1 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | | | trans | -79.3 | 137.6 | -174.7 | -63.4 | 168.7 | -10.3 | 0 | 0 | 111 | | |
| 274 | K | 34.6 | Very low | 34.7 | Very low | 210 Ų | 210 | 151.2 Ų | 151.2 | 91% | 0.913 | 82% | 0.816 | S | S | * | * | | | trans | -88.5 | 115.1 | 165.1 | -82.1 | -171.5 | 174.4 | -179.7 | 0 | 109.7 | | |
| 275 | L | 38.9 | Very low | 34.7 | Very low | 157 Ų | 157 | 149.3 Ų | 149.3 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 146.8 | 179.8 | -68.5 | 158.4 | 0 | 0 | 0 | 111.4 | | |
| 276 | L | 40 | Very low | 35.2 | Very low | 170 Ų | 170 | 149.6 Ų | 149.6 | 89% | 0.89 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 134.8 | 167.8 | -68.3 | 166.3 | 0 | 0 | 0 | 109.8 | | |
| 277 | L | 36.7 | Very low | 35.8 | Very low | 169 Ų | 169 | 151 Ų | 151 | 89% | 0.885 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 135.7 | 175.9 | -72 | 171.2 | 0 | 0 | 0 | 110.6 | | |
| 278 | P | 42.2 | Very low | 36.3 | Very low | 115 Ų | 115 | 149.4 Ų | 149.4 | 75% | 0.747 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 150.4 | -177.3 | 30.2 | -35.2 | 0 | 0 | 0 | 112.3 | | |
| 279 | K | 41.6 | Very low | 35.8 | Very low | 193 Ų | 193 | 151.3 Ų | 151.3 | 84% | 0.839 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 142.3 | 174 | -62.3 | -179.6 | -179.3 | -179.6 | 0 | 110.8 | K281 | K279-K281 PolarHBondContact O-N 3.48Š|
| 280 | P | 36.5 | Very low | 36 | Very low | 131 Ų | 131 | 152.7 Ų | 152.7 | 85% | 0.851 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 129.5 | 175.7 | 26.6 | -34.1 | 0 | 0 | 0 | 110.5 | | |
| 281 | K | 36.4 | Very low | 36.3 | Very low | 202 Ų | 202 | 153 Ų | 153 | 88% | 0.878 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 125.8 | 170.7 | -67.6 | 179.9 | 178.6 | 178.8 | 0 | 108.6 | K279 | K279-K281 PolarHBondContact O-N 3.48Š|
| 282 | M | 40.4 | Very low | 36.6 | Very low | 194 Ų | 194 | 157 Ų | 157 | 96% | 0.956 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 132.4 | 168.3 | -71.8 | -177.9 | 170.8 | 0 | 0 | 109.8 | | |
| 283 | A | 34.1 | Very low | 36.8 | Very low | 89 Ų | 89 | 152.5 Ų | 152.5 | 74% | 0.736 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 120.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | V285 | A283-V285 PolarHBondContact O-N 3.44Š|
| 284 | L | 35.2 | Very low | 37 | Very low | 181 Ų | 181 | 152.7 Ų | 152.7 | 95% | 0.948 | 83% | 0.829 | S | S | * | * | | | trans | -76.6 | 105.9 | 171.3 | -83 | 164.6 | 0 | 0 | 0 | 109.1 | | |
| 285 | V | 30.7 | Very low | 36.9 | Very low | 121 Ų | 121 | 150.1 Ų | 150.1 | 73% | 0.733 | 82% | 0.824 | S | S | * | * | | | trans | -88.8 | 107.9 | 167.2 | 178.7 | 0 | 0 | 0 | 0 | 108 | A283 V287 | A283-V285 PolarHBondContact O-N 3.44Å; V285-V287 HydrophobicContact CG1-CG2 4.43Å; V285-V287 PolarHBondContact O-N 3.45Å; V285-V287 VanDerWaalsContact O-N 3.11Å |
| 286 | S | 34.8 | Very low | 36.9 | Very low | 117 Ų | 117 | 148.1 Ų | 148.1 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | trans | -75.2 | 95.4 | 175.5 | 55.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 287 | V | 39 | Very low | 36.6 | Very low | 114 Ų | 114 | 146 Ų | 146 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | | | trans | -76.4 | 133.3 | 166.8 | -175.8 | 0 | 0 | 0 | 0 | 108.3 | V285 V289 | V285-V287 HydrophobicContact CG1-CG2 4.43Å; V285-V287 PolarHBondContact O-N 3.45Å; V285-V287 VanDerWaalsContact O-N 3.11Å; V287-V289 PolarHBondContact O-N 2.84Å |
| 288 | P | 34.8 | Very low | 36.5 | Very low | 115 Ų | 115 | 144.7 Ų | 144.7 | 75% | 0.747 | 81% | 0.807 | S | S | * | * | | | trans | -63.2 | 129.5 | 177.7 | 25.6 | -34.1 | 0 | 0 | 0 | 110.9 | M290 | P288-M290 PolarHBondContact O-N 3.15Š|
| 289 | V | 33.2 | Very low | 36.5 | Very low | 131 Ų | 131 | 146.4 Ų | 146.4 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | | | trans | -72.1 | 109.6 | 179.9 | 177.3 | 0 | 0 | 0 | 0 | 109.4 | V287 | V287-V289 PolarHBondContact O-N 2.84Š|
| 290 | M | 33.8 | Very low | 36.1 | Very low | 175 Ų | 175 | 142.9 Ų | 142.9 | 86% | 0.862 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 142.6 | 164 | -76.4 | 175.5 | 60.5 | 0 | 0 | 109.8 | P288 L292 | P288-M290 PolarHBondContact O-N 3.15Å; M290-L292 PolarHBondContact O-N 3.41Å |
| 291 | Q | 40.6 | Very low | 36.1 | Very low | 194 Ų | 194 | 141.8 Ų | 141.8 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 130.9 | -169.3 | -65.6 | 157.3 | -70.5 | 0 | 0 | 112 | A293 | Q291-A293 PolarHBondContact O-N 3.12Š|
| 292 | L | 35.7 | Very low | 36.6 | Very low | 163 Ų | 163 | 138.2 Ų | 138.2 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 122.8 | 171.7 | -72.7 | 168.2 | 0 | 0 | 0 | 109.6 | M290 | M290-L292 PolarHBondContact O-N 3.41Š|
| 293 | A | 36.8 | Very low | 36.8 | Very low | 83 Ų | 83 | 138 Ų | 138 | 69% | 0.686 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 144.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q291 L295 | Q291-A293 PolarHBondContact O-N 3.12Å; A293-L295 PolarHBondContact O-N 3.25Å |
| 294 | H | 40.3 | Very low | 37.5 | Very low | 183 Ų | 183 | 138.3 Ų | 138.3 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 116.1 | -179.6 | -57.6 | -88.8 | 0 | 0 | 0 | 111.4 | | |
| 295 | L | 34.2 | Very low | 38.4 | Very low | 155 Ų | 155 | 132.4 Ų | 132.4 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -87 | 121.9 | 167.6 | -94.6 | 87.4 | 0 | 0 | 0 | 110.7 | A293 | A293-L295 PolarHBondContact O-N 3.25Š|
| 296 | P | 37.7 | Very low | 39.2 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 118.3 | 169.4 | 31.1 | -31.5 | 0 | 0 | 0 | 110.6 | | |
| 297 | V | 34.8 | Very low | 39.6 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 120.4 | 170.3 | 179.2 | 0 | 0 | 0 | 0 | 109 | | |
| 298 | L | 35.1 | Very low | 39.9 | Very low | 141 Ų | 141 | 137.6 Ų | 137.6 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 120.8 | 173.8 | -67.8 | 173.8 | 0 | 0 | 0 | 110 | | |
| 299 | L | 40.8 | Very low | 40 | Very low | 151 Ų | 151 | 137.4 Ų | 137.4 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 131 | 170.4 | -79 | 164 | 0 | 0 | 0 | 109.5 | S301 | L299-S301 PolarHBondContact O-N 3.16Š|
| 300 | P | 33.2 | Very low | 40.6 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 121 | 175 | 30.1 | -32.2 | 0 | 0 | 0 | 110.2 | | |
| 301 | S | 37.3 | Very low | 41.1 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 135.4 | 165.4 | -170.4 | 0 | 0 | 0 | 0 | 109.5 | L299 | L299-S301 PolarHBondContact O-N 3.16Š|
| 302 | T | 46.1 | Very low | 41.2 | Very low | 128 Ų | 128 | 128 Ų | 128 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -62.2 | 148.2 | 159.6 | 46.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 303 | E | 44.8 | Very low | 41.5 | Very low | 188 Ų | 188 | 123 Ų | 123 | 88% | 0.879 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 65.2 | 94.8 | -178.4 | -55 | -156.6 | 136.2 | 0 | 0 | 117.8 | G305 | E303-G305 VanDerWaalsContact C-N 3.33Å; E303-G305 PolarHBondContact O-N 3.3Å |
| 304 | G | 48.6 | Very low | 42 | Very low | 97 Ų | 97 | 123.5 Ų | 123.5 | 100% | 1 | 73% | 0.731 | S | S | * | * | S | Bend | | 71.7 | -4 | 123.9 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 305 | G | 53.9 | Low | 42.2 | Very low | 57 Ų | 57 | 118.3 Ų | 118.3 | 59% | 0.588 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 152.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | E303 | E303-G305 VanDerWaalsContact C-N 3.33Å; E303-G305 PolarHBondContact O-N 3.3Å |
| 306 | P | 47.3 | Very low | 42.7 | Very low | 127 Ų | 127 | 119.5 Ų | 119.5 | 83% | 0.825 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -69 | 139.5 | 171.9 | 29.4 | -34.2 | 0 | 0 | 0 | 111.5 | R308 | P306-R308 PolarHBondContact O-N 2.93Š|
| 307 | L | 43.4 | Very low | 43.2 | Very low | 156 Ų | 156 | 122.7 Ų | 122.7 | 82% | 0.817 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 128.4 | -171.5 | -63.1 | 169.3 | 0 | 0 | 0 | 112.8 | | |
| 308 | R | 45 | Very low | 43.8 | Very low | 177 Ų | 177 | 119.3 Ų | 119.3 | 67% | 0.668 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 119.5 | 167 | -72.1 | -73.6 | -172.8 | 136 | 2.8 | 109 | P306 | P306-R308 PolarHBondContact O-N 2.93Š|
| 309 | S | 38.6 | Very low | 44.1 | Very low | 112 Ų | 112 | 115.8 Ų | 115.8 | 78% | 0.783 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 136 | 166.4 | 45.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 310 | V | 44.8 | Very low | 44.1 | Very low | 91 Ų | 91 | 112.7 Ų | 112.7 | 55% | 0.552 | 69% | 0.687 | S | S | * | * | | | trans | -129 | 126.8 | 173.8 | 178.5 | 0 | 0 | 0 | 0 | 107.3 | T322 | V310-T322 HydrophobicContact CG1-CG2 3.57Š|
| 311 | V | 43.7 | Very low | 44.5 | Very low | 108 Ų | 108 | 110.3 Ų | 110.3 | 66% | 0.655 | 67% | 0.673 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.4 | 116.3 | 175 | -178.1 | 0 | 0 | 0 | 0 | 107.9 | | |
| 312 | L | 42.8 | Very low | 44.7 | Very low | 104 Ų | 104 | 109.6 Ų | 109.6 | 55% | 0.545 | 66% | 0.664 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.6 | 121.9 | 173.5 | -68.8 | 166.6 | 0 | 0 | 0 | 108.6 | V320 T322 | L312-V320 HydrophobicContact CD2-CG1 3.97Å; L312-T322 HydrophobicContact CD2-CG2 4.19Å; L312-T322 WeakPolarHBondContact CD2-OG1 3.43Å |
| 313 | A | 43.3 | Very low | 44.5 | Very low | 57 Ų | 57 | 110.1 Ų | 110.1 | 47% | 0.471 | 66% | 0.662 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.1 | 134 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | S321 | A313-S321 PolarHBondContact N-O 3.25Å; A313-S321 VanDerWaalsContact N-O 3.1Å; A313-S321 PolarHBondContact O-N 2.94Å |
| 314 | V | 45.8 | Very low | 44.1 | Very low | 93 Ų | 93 | 109.6 Ų | 109.6 | 56% | 0.564 | 66% | 0.659 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -119.7 | 129.7 | 173.9 | -170.4 | 0 | 0 | 0 | 0 | 107.6 | S319 V320 | V314-S319 WeakPolarHBondContact CA-O 3.24Å; V314-V320 HydrophobicContact CG1-CG2 4.4Å; V314-V320 HydrophobicContact CG2-CG1 4.4Å; V314-V320 HydrophobicContact CG2-CG2 4.13Å |
| 315 | D | 44.9 | Very low | 43.5 | Very low | 74 Ų | 74 | 112.9 Ų | 112.9 | 40% | 0.396 | 65% | 0.653 | S | S | . | * | | | trans | -86.2 | 170.4 | 177.3 | 80.7 | -7 | 0 | 0 | 0 | 112.4 | Q317 G318 S319 | D315-Q317 PolarHBondContact O-N 3.25Å; D315-Q317 VanDerWaalsContact OD1-C 3.31Å; D315-Q317 WeakPolarHBondContact OD1-CA 3.43Å; D315-Q317 PolarHBondContact OD1-N 3.44Å; D315-G318 PolarHBondContact O-N 2.62Å; D315-G318 PolarHBondContact OD1-N 3.49Å; D315-S319 PolarHBondContact N-O 3.32Å; D315-S319 VanDerWaalsContact N-O 3.15Å; D315-S319 WeakPolarHBondContact OD1-CB 3.39Å; D315-S319 PolarHBondContact OD1-N 3.48Å |
| 316 | N | 45.2 | Very low | 42.4 | Very low | 181 Ų | 181 | 116.7 Ų | 116.7 | 97% | 0.968 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 6.2 | 178 | -73.9 | -1.3 | 0 | 0 | 0 | 113.9 | | |
| 317 | Q | 48.1 | Very low | 41.8 | Very low | 181 Ų | 181 | 115.6 Ų | 115.6 | 85% | 0.846 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.6 | 6 | 172.3 | -63.2 | -176.9 | 108.5 | 0 | 0 | 112.3 | D315 | D315-Q317 PolarHBondContact O-N 3.25Å; D315-Q317 VanDerWaalsContact OD1-C 3.31Å; D315-Q317 WeakPolarHBondContact OD1-CA 3.43Å; D315-Q317 PolarHBondContact OD1-N 3.44Å |
| 318 | G | 47.8 | Very low | 41.3 | Very low | 55 Ų | 55 | 116.7 Ų | 116.7 | 57% | 0.567 | 65% | 0.653 | S | S | * | * | | | trans | 81.5 | 12.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | D315 | D315-G318 PolarHBondContact O-N 2.62Å; D315-G318 PolarHBondContact OD1-N 3.49Å |
| 319 | S | 40.4 | Very low | 40.6 | Very low | 67 Ų | 67 | 114.3 Ų | 114.3 | 47% | 0.469 | 66% | 0.658 | S | S | . | * | | | trans | -79.9 | 129.2 | 174.8 | -168 | 0 | 0 | 0 | 0 | 110.5 | V314 D315 | V314-S319 WeakPolarHBondContact CA-O 3.24Å; D315-S319 PolarHBondContact N-O 3.32Å; D315-S319 VanDerWaalsContact N-O 3.15Å; D315-S319 WeakPolarHBondContact OD1-CB 3.39Å; D315-S319 PolarHBondContact OD1-N 3.48Å |
| 320 | V | 42 | Very low | 40.8 | Very low | 87 Ų | 87 | 115.3 Ų | 115.3 | 53% | 0.527 | 66% | 0.662 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.2 | 120.6 | -177.5 | -173.4 | 0 | 0 | 0 | 0 | 109.4 | L312 V314 | L312-V320 HydrophobicContact CD2-CG1 3.97Å; V314-V320 HydrophobicContact CG1-CG2 4.4Å; V314-V320 HydrophobicContact CG2-CG1 4.4Å; V314-V320 HydrophobicContact CG2-CG2 4.13Å |
| 321 | S | 40.4 | Very low | 40.1 | Very low | 70 Ų | 70 | 114.7 Ų | 114.7 | 49% | 0.49 | 67% | 0.674 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.6 | 133.7 | 178.9 | -70.8 | 0 | 0 | 0 | 0 | 111.9 | A313 | A313-S321 PolarHBondContact N-O 3.25Å; A313-S321 VanDerWaalsContact N-O 3.1Å; A313-S321 PolarHBondContact O-N 2.94Å |
| 322 | T | 41.2 | Very low | 39.5 | Very low | 91 Ų | 91 | 114 Ų | 114 | 56% | 0.558 | 68% | 0.68 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.7 | 118.2 | -176.2 | -48.6 | 0 | 0 | 0 | 0 | 110 | V310 L312 | V310-T322 HydrophobicContact CG1-CG2 3.57Å; L312-T322 HydrophobicContact CD2-CG2 4.19Å; L312-T322 WeakPolarHBondContact CD2-OG1 3.43Å |
| 323 | L | 41.7 | Very low | 38.8 | Very low | 139 Ų | 139 | 115.9 Ų | 115.9 | 73% | 0.728 | 70% | 0.695 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105 | 131.5 | 173.3 | -78.2 | 170.2 | 0 | 0 | 0 | 110.8 | | |
| 324 | Q | 36.4 | Very low | 38.1 | Very low | 177 Ų | 177 | 120.7 Ų | 120.7 | 83% | 0.827 | 71% | 0.712 | S | S | * | * | | | trans | -117.5 | 105.5 | -172.3 | -168.9 | 175.6 | 15.6 | 0 | 0 | 110.1 | | |
| 325 | L | 36.6 | Very low | 38 | Very low | 166 Ų | 166 | 121.3 Ų | 121.3 | 87% | 0.869 | 72% | 0.718 | S | S | * | * | | | trans | -90.3 | 138.1 | 175.9 | -72.1 | 166.8 | 0 | 0 | 0 | 110.7 | | |
| 326 | L | 31.6 | Very low | 37 | Very low | 138 Ų | 138 | 125.4 Ų | 125.4 | 72% | 0.723 | 74% | 0.735 | S | S | * | * | | | trans | -115.7 | 125.2 | -177.4 | -171.2 | 69.7 | 0 | 0 | 0 | 110.6 | | |
| 327 | P | 34 | Very low | 36.1 | Very low | 103 Ų | 103 | 123.4 Ų | 123.4 | 67% | 0.669 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 141.6 | 176.3 | -15 | 30.2 | 0 | 0 | 0 | 112.7 | | |
| 328 | Q | 33.7 | Very low | 35.1 | Very low | 179 Ų | 179 | 120.6 Ų | 120.6 | 84% | 0.836 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 142 | 167.6 | -73.2 | -73.4 | -9.6 | 0 | 0 | 110.5 | | |
| 329 | T | 30.6 | Very low | 34.2 | Very low | 128 Ų | 128 | 123.9 Ų | 123.9 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 135.9 | -174.5 | 50.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 330 | P | 42.4 | Very low | 33.7 | Very low | 133 Ų | 133 | 128.7 Ų | 128.7 | 86% | 0.864 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -90 | 134.6 | -179.6 | 33.6 | -33.1 | 0 | 0 | 0 | 114.2 | | |
| 331 | G | 30.5 | Very low | 33 | Very low | 78 Ų | 78 | 129.5 Ų | 129.5 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | | | trans | 118.5 | 115.3 | 147 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 332 | A | 30.5 | Very low | 32.5 | Very low | 93 Ų | 93 | 133.7 Ų | 133.7 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | | | trans | -172.5 | 144.4 | 131.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 333 | V | 28.3 | Very low | 31.6 | Very low | 144 Ų | 144 | 133 Ų | 133 | 87% | 0.873 | 77% | 0.765 | S | S | * | * | | | trans | 70.7 | 137.5 | 159.9 | -141.3 | 0 | 0 | 0 | 0 | 121.2 | | |
| 334 | L | 28 | Very low | 30.8 | Very low | 157 Ų | 157 | 135.6 Ų | 135.6 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | | | trans | -79.8 | -175.9 | 168.2 | -109.7 | 71.2 | 0 | 0 | 0 | 111.9 | | |
| 335 | P | 43.5 | Very low | 30.4 | Very low | 107 Ų | 107 | 134.9 Ų | 134.9 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | | | cis | -123.4 | -140 | 5 | 30.3 | -4.2 | 0 | 0 | 0 | 111.3 | | |
| 336 | Q | 23.6 | Very low | 29.8 | Very low | 159 Ų | 159 | 134.3 Ų | 134.3 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | | | cis | -163.1 | 170.9 | 5.1 | -146 | -173.7 | -4.5 | 0 | 0 | 112.5 | | |
| 337 | L | 26.9 | Very low | 29.5 | Very low | 140 Ų | 140 | 136.5 Ų | 136.5 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | | | trans | 67 | 98 | 155.3 | -78.5 | 161.5 | 0 | 0 | 0 | 121.1 | | |
| 338 | D | 26.2 | Very low | 29.3 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 65% | 0.652 | 77% | 0.768 | S | S | * | * | | | trans | -55.9 | 147.3 | 145.8 | 151.7 | 60.1 | 0 | 0 | 0 | 112.9 | K340 | D338-K340 PolarHBondContact OD1-N 2.9Š|
| 339 | V | 29.8 | Very low | 29.8 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 75% | 0.745 | 76% | 0.761 | S | S | * | * | | | trans | -152 | 104.6 | 133.5 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 340 | K | 30 | Very low | 29.5 | Very low | 168 Ų | 168 | 135.2 Ų | 135.2 | 73% | 0.73 | 76% | 0.763 | S | S | * | * | | | trans | 50.5 | 119.7 | 134.5 | -57.6 | 177.6 | -176.6 | 171.5 | 0 | 123.3 | D338 | D338-K340 PolarHBondContact OD1-N 2.9Š|
| 341 | S | 27.3 | Very low | 28.8 | Very low | 104 Ų | 104 | 133 Ų | 133 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | | | | 65.7 | 112.7 | 116.3 | -171.2 | 0 | 0 | 0 | 0 | 123.1 | | |
| 342 | L | 28.8 | Very low | 28.7 | Very low | 159 Ų | 159 | 140 Ų | 140 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | | | | 178.4 | 131.7 | 118.8 | -109.9 | 89.1 | 0 | 0 | 0 | 105.9 | | |
| 343 | A | 23.9 | Very low | 28.5 | Very low | 77 Ų | 77 | 140.5 Ų | 140.5 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | | | cis | 86.2 | 111.9 | 47.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 344 | F | 24.1 | Very low | 28.5 | Very low | 193 Ų | 193 | 138.7 Ų | 138.7 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | | | trans | 56.9 | 99.5 | 158.4 | -78.6 | -99.8 | 0 | 0 | 0 | 121.2 | | |
| 345 | K | 28.9 | Very low | 28.6 | Very low | 162 Ų | 162 | 139.9 Ų | 139.9 | 70% | 0.704 | 75% | 0.745 | S | S | * | * | | | | 29.2 | 120.1 | 109.1 | 179.8 | -168.7 | 176 | -174.3 | 0 | 117.6 | | |
| 346 | D | 24.2 | Very low | 27.9 | Very low | 154 Ų | 154 | 138 Ų | 138 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | | | trans | -155.5 | 179.9 | 135.3 | -122.1 | -29.3 | 0 | 0 | 0 | 114.9 | | |
| 347 | Y | 25.1 | Very low | 29.3 | Very low | 184 Ų | 184 | 136.4 Ų | 136.4 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | | | trans | -102.8 | 130.9 | -156.5 | -106.2 | -120.5 | 0 | 0 | 0 | 117.7 | | |
| 348 | M | 28.2 | Very low | 29.4 | Very low | 158 Ų | 158 | 138.6 Ų | 138.6 | 78% | 0.778 | 76% | 0.759 | S | S | * | * | | | trans | 62.5 | -173.9 | 132.6 | -67.5 | -66.2 | -178.3 | 0 | 0 | 119.3 | | |
| 349 | P | 45.8 | Very low | 29.6 | Very low | 108 Ų | 108 | 137.1 Ų | 137.1 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | | | | -133.7 | 160.2 | -65 | 38.6 | -25.1 | 0 | 0 | 0 | 115.7 | | |
| 350 | S | 24.1 | Very low | 29.9 | Very low | 116 Ų | 116 | 138 Ų | 138 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | | | trans | 179.3 | 156.9 | 154.3 | -94.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 351 | S | 26 | Very low | 29.8 | Very low | 88 Ų | 88 | 133.1 Ų | 133.1 | 62% | 0.615 | 76% | 0.762 | S | S | * | * | | | cis | -170.1 | 148.8 | -14.4 | -104.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 352 | R | 29.3 | Very low | 30.1 | Very low | 225 Ų | 225 | 134.4 Ų | 134.4 | 85% | 0.849 | 77% | 0.765 | S | S | * | * | | | trans | 66.2 | 125.6 | 153.8 | -67.9 | 169.1 | -169.7 | -111.3 | -0.2 | 117.2 | | |
| 353 | S | 26.5 | Very low | 30.3 | Very low | 103 Ų | 103 | 135 Ų | 135 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | | | | 64.8 | 137.4 | 67.4 | 83 | 0 | 0 | 0 | 0 | 113.6 | | |
| 354 | S | 27.8 | Very low | 30.7 | Very low | 106 Ų | 106 | 136.6 Ų | 136.6 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | | | cis | -163.8 | -173.3 | 19.5 | 55.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 355 | Q | 30.3 | Very low | 30.6 | Very low | 181 Ų | 181 | 132.9 Ų | 132.9 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | | | trans | -43.4 | 161.5 | 156.9 | -89.4 | 77 | -0.2 | 0 | 0 | 114 | | |
| 356 | G | 29.1 | Very low | 31.1 | Very low | 67 Ų | 67 | 131.4 Ų | 131.4 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | | | cis | -171 | -135.4 | 17.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 357 | P | 52.6 | Low | 31.2 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | | | trans | -99.3 | 170.5 | -144.4 | 39.6 | -40.8 | 0 | 0 | 0 | 117.9 | | |
| 358 | I | 29.3 | Very low | 32.9 | Very low | 185 Ų | 185 | 127.6 Ų | 127.6 | 95% | 0.949 | 76% | 0.761 | S | S | * | * | | | trans | -167.1 | 172.2 | 153.5 | -102.2 | 150.9 | 0 | 0 | 0 | 111.9 | | |
| 359 | S | 30 | Very low | 32.9 | Very low | 92 Ų | 92 | 124.1 Ų | 124.1 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | | | trans | -125.2 | 159.1 | -153.7 | 177.9 | 0 | 0 | 0 | 0 | 117.4 | | |
| 360 | T | 36.2 | Very low | 32.1 | Very low | 141 Ų | 141 | 124.1 Ų | 124.1 | 87% | 0.865 | 76% | 0.76 | S | S | * | * | | | trans | 73.6 | 134.4 | 146.4 | 30.7 | 0 | 0 | 0 | 0 | 125.4 | | |
| 361 | G | 27.9 | Very low | 32.5 | Very low | 66 Ų | 66 | 124 Ų | 124 | 68% | 0.68 | 76% | 0.755 | S | S | * | * | | | trans | 150.6 | 135.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 362 | V | 33.1 | Very low | 32.6 | Very low | 130 Ų | 130 | 126.7 Ų | 126.7 | 79% | 0.788 | 76% | 0.762 | S | S | * | * | | | cis | 85 | 133 | 7.1 | -166.4 | 0 | 0 | 0 | 0 | 114 | | |
| 363 | Q | 33.2 | Very low | 32.6 | Very low | 173 Ų | 173 | 122.9 Ų | 122.9 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | | | cis | -151.3 | 130.7 | 24.7 | -155.4 | 148.1 | -13.5 | 0 | 0 | 111.9 | | |
| 364 | V | 32.4 | Very low | 32.8 | Very low | 110 Ų | 110 | 122.7 Ų | 122.7 | 67% | 0.667 | 76% | 0.757 | S | S | * | * | | | | 76.6 | 127.9 | 81 | 179.4 | 0 | 0 | 0 | 0 | 119.9 | L366 | V364-L366 HydrophobicContact CG1-CD1 4.25Å; V364-L366 HydrophobicContact CG1-CG 4.16Å |
| 365 | S | 23.2 | Very low | 32.8 | Very low | 115 Ų | 115 | 122.7 Ų | 122.7 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | | | trans | 175.7 | 155.7 | 136.7 | -76.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 366 | L | 37.8 | Very low | 32.6 | Very low | 130 Ų | 130 | 117.8 Ų | 117.8 | 68% | 0.681 | 76% | 0.762 | S | S | * | * | | | cis | -174.8 | 123.9 | -45.5 | -112.4 | 168.1 | 0 | 0 | 0 | 111.6 | V364 | V364-L366 HydrophobicContact CG1-CD1 4.25Å; V364-L366 HydrophobicContact CG1-CG 4.16Å |
| 367 | D | 27.3 | Very low | 32.4 | Very low | 143 Ų | 143 | 118 Ų | 118 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | | | trans | 50.5 | 168.3 | 145.3 | -78.8 | 2.8 | 0 | 0 | 0 | 124.3 | | |
| 368 | P | 60 | Low | 31.3 | Very low | 115 Ų | 115 | 118.8 Ų | 118.8 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | | | cis | -144.2 | -175.9 | -42.7 | 41.7 | -24.5 | 0 | 0 | 0 | 116.5 | | |
| 369 | A | 30 | Very low | 31.2 | Very low | 85 Ų | 85 | 115 Ų | 115 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | | | trans | 97.2 | 126.4 | 143 | 0 | 0 | 0 | 0 | 0 | 124.1 | | |
| 370 | S | 28.9 | Very low | 31 | Very low | 108 Ų | 108 | 113.9 Ų | 113.9 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | trans | 58 | 145.9 | 144.4 | 53.7 | 0 | 0 | 0 | 0 | 121.4 | | |
| 371 | T | 31.3 | Very low | 30.7 | Very low | 115 Ų | 115 | 114.8 Ų | 114.8 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | | | cis | -161.1 | 157.1 | 0.1 | 7.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 372 | D | 28.9 | Very low | 30.8 | Very low | 144 Ų | 144 | 122.6 Ų | 122.6 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | | | trans | 53.1 | 130.1 | 144.7 | -54.7 | -15.2 | 0 | 0 | 0 | 125.6 | | |
| 373 | D | 28.6 | Very low | 30.6 | Very low | 144 Ų | 144 | 119.8 Ų | 119.8 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | | | trans | 79.5 | 121.7 | 135.1 | -101.7 | -31.4 | 0 | 0 | 0 | 127 | | |
| 374 | S | 30.2 | Very low | 30.6 | Very low | 99 Ų | 99 | 123.1 Ų | 123.1 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | | | | 46.8 | 118.9 | 126.7 | -68.1 | 0 | 0 | 0 | 0 | 124.9 | | |
| 375 | A | 28.5 | Very low | 30.5 | Very low | 106 Ų | 106 | 122.4 Ų | 122.4 | 88% | 0.876 | 77% | 0.771 | S | S | * | * | | | | 67.5 | 132.7 | 122.4 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 376 | G | 25.4 | Very low | 30.8 | Very low | 79 Ų | 79 | 122.5 Ų | 122.5 | 81% | 0.814 | 77% | 0.767 | S | S | * | * | | | trans | 113.7 | 162.7 | 144.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 377 | G | 26.5 | Very low | 30.6 | Very low | 71 Ų | 71 | 121.5 Ų | 121.5 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | | | trans | 82.6 | 111.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 378 | V | 27.8 | Very low | 31.2 | Very low | 144 Ų | 144 | 120.2 Ų | 120.2 | 87% | 0.873 | 77% | 0.768 | S | S | * | * | | | cis | 70.8 | 107.7 | 32.7 | -169.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 379 | A | 28.4 | Very low | 29.8 | Very low | 105 Ų | 105 | 121.7 Ų | 121.7 | 87% | 0.868 | 77% | 0.77 | S | S | * | * | | | trans | 60.9 | 151.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 380 | G | 26.3 | Very low | 29.9 | Very low | 69 Ų | 69 | 123.7 Ų | 123.7 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | cis | 134.8 | 143.5 | -4.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 381 | Q | 29.4 | Very low | 30.3 | Very low | 159 Ų | 159 | 126.5 Ų | 126.5 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | | | trans | 70.4 | 133.3 | 172.4 | -73 | -74 | -28.6 | 0 | 0 | 118.8 | | |
| 382 | R | 29.7 | Very low | 30.4 | Very low | 231 Ų | 231 | 128.2 Ų | 128.2 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | | | trans | 69.3 | 142.7 | 162.9 | -63.8 | 169.9 | -88.3 | -119.3 | 2 | 117.3 | | |
| 383 | G | 27.8 | Very low | 30.8 | Very low | 71 Ų | 71 | 128.2 Ų | 128.2 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | | | cis | 152.5 | 172.6 | -14.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 384 | R | 33.9 | Very low | 30.8 | Very low | 242 Ų | 242 | 131.6 Ų | 131.6 | 91% | 0.913 | 78% | 0.781 | S | S | * | * | | | trans | 68.3 | 152.2 | 164.7 | -92.7 | -174.2 | 171 | -154.8 | -2.8 | 119.8 | | |
| 385 | S | 29.7 | Very low | 31 | Very low | 96 Ų | 96 | 130.7 Ų | 130.7 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | | | trans | 68.1 | 106.4 | 151.5 | -69.6 | 0 | 0 | 0 | 0 | 118.5 | | |
| 386 | T | 29.8 | Very low | 31.4 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 71% | 0.712 | 77% | 0.772 | S | S | * | * | | | | 93.4 | 109.5 | 55.9 | 56.5 | 0 | 0 | 0 | 0 | 114.7 | | |
| 387 | S | 33.4 | Very low | 31.8 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | | | trans | 58.9 | 160.1 | 136.4 | 68.3 | 0 | 0 | 0 | 0 | 120.1 | | |
| 388 | T | 41.4 | Very low | 32.1 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 71% | 0.712 | 77% | 0.77 | S | S | * | * | | | cis | -149 | 152.8 | 21.3 | 45.7 | 0 | 0 | 0 | 0 | 112 | | |
| 389 | N | 29.3 | Very low | 32.1 | Very low | 146 Ų | 146 | 142.7 Ų | 142.7 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | | | trans | 163 | 154 | 147.5 | -90.3 | -10.9 | 0 | 0 | 0 | 112.1 | | |
| 390 | I | 33 | Very low | 32.5 | Very low | 128 Ų | 128 | 145.6 Ų | 145.6 | 66% | 0.656 | 77% | 0.766 | S | S | * | * | | | cis | -148.9 | 134.8 | -15.4 | -135.4 | 167.2 | 0 | 0 | 0 | 112.9 | | |
| 391 | Q | 36.3 | Very low | 33.9 | Very low | 166 Ų | 166 | 147.3 Ų | 147.3 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | trans | 29.8 | 122.2 | 135.5 | -162.7 | 176 | 15.9 | 0 | 0 | 123.6 | | |
| 392 | T | 35 | Very low | 35.2 | Very low | 151 Ų | 151 | 144.8 Ų | 144.8 | 93% | 0.926 | 76% | 0.762 | S | S | * | * | | | trans | -158.3 | 178.4 | 134 | -2.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 393 | D | 36 | Very low | 35.2 | Very low | 145 Ų | 145 | 140.6 Ų | 140.6 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | | | trans | -138.5 | 167.4 | -141.5 | -172.1 | 25.1 | 0 | 0 | 0 | 116.3 | | |
| 394 | R | 29.9 | Very low | 35.6 | Very low | 215 Ų | 215 | 142 Ų | 142 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | | | trans | 80.3 | 149.6 | 169.8 | -53.8 | 167.4 | 60.1 | 119.2 | -0.3 | 118.6 | | |
| 395 | S | 34 | Very low | 35.4 | Very low | 80 Ų | 80 | 134.1 Ų | 134.1 | 56% | 0.559 | 76% | 0.76 | S | S | * | * | | | cis | -175.5 | 146 | -28.8 | 58.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 396 | Y | 36 | Very low | 35.5 | Very low | 205 Ų | 205 | 137.8 Ų | 137.8 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | trans | 88.7 | 130.1 | 148.6 | -80.2 | -61.1 | 0 | 0 | 0 | 125.5 | | |
| 397 | L | 33.7 | Very low | 35.5 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | | | trans | 69 | 150.5 | 149.4 | -63.3 | 168.9 | 0 | 0 | 0 | 119.3 | | |
| 398 | S | 32.2 | Very low | 35.6 | Very low | 101 Ų | 101 | 138.5 Ų | 138.5 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | | | cis | -173.3 | 156.5 | -23.5 | -157.6 | 0 | 0 | 0 | 0 | 106.4 | | |
| 399 | K | 29.3 | Very low | 35 | Very low | 190 Ų | 190 | 136 Ų | 136 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | | | cis | -170.4 | 127.1 | 38.9 | -167.5 | 176.2 | -177.3 | 179.1 | 0 | 112.9 | | |
| 400 | M | 36.3 | Very low | 35.3 | Very low | 167 Ų | 167 | 137.5 Ų | 137.5 | 82% | 0.823 | 78% | 0.782 | S | S | * | * | | | trans | -8.4 | 169 | 139.7 | -77.1 | -77.4 | -157.6 | 0 | 0 | 120.6 | | |
| 401 | P | 55.8 | Low | 35.1 | Very low | 105 Ų | 105 | 137.3 Ų | 137.3 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | | | cis | -131 | -132.2 | -13.3 | 34.4 | -9.9 | 0 | 0 | 0 | 109.5 | | |
| 402 | P | 56.7 | Low | 34.9 | Very low | 106 Ų | 106 | 134.3 Ų | 134.3 | 69% | 0.688 | 79% | 0.788 | S | S | * | * | | | cis | -137.4 | -179.2 | -26.6 | 37.3 | -16.5 | 0 | 0 | 0 | 117.3 | | |
| 403 | V | 30.5 | Very low | 34.8 | Very low | 143 Ų | 143 | 133.2 Ų | 133.2 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | | | trans | 76.1 | 125.7 | 158.9 | -162.3 | 0 | 0 | 0 | 0 | 121.2 | | |
| 404 | A | 34.5 | Very low | 35 | Very low | 101 Ų | 101 | 131.3 Ų | 131.3 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | | | trans | -75.6 | 172.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 405 | G | 31.6 | Very low | 34.9 | Very low | 75 Ų | 75 | 129.7 Ų | 129.7 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | | | trans | -176.5 | 128 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 406 | D | 31.2 | Very low | 34.8 | Very low | 174 Ų | 174 | 130.4 Ų | 130.4 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | | | trans | -73.7 | 152.2 | -174.1 | -66.2 | -72 | 0 | 0 | 0 | 114.7 | | |
| 407 | G | 29 | Very low | 35 | Very low | 68 Ų | 68 | 126 Ų | 126 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | | | | 101.8 | 137.9 | 129.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 408 | I | 35.2 | Very low | 34.9 | Very low | 172 Ų | 172 | 125.3 Ų | 125.3 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | | | trans | 64 | 97.2 | 151.1 | -48.3 | 177.7 | 0 | 0 | 0 | 117.6 | | |
| 409 | G | 30.4 | Very low | 35 | Very low | 64 Ų | 64 | 125.6 Ų | 125.6 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | | | | 34.2 | 124.9 | 127.1 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 410 | L | 35.4 | Very low | 35.2 | Very low | 177 Ų | 177 | 121.5 Ų | 121.5 | 93% | 0.927 | 78% | 0.784 | S | S | * | * | | | trans | 65 | 71.2 | 146.6 | -64.3 | 168.8 | 0 | 0 | 0 | 118.1 | | |
| 411 | C | 27.2 | Very low | 35.2 | Very low | 124 Ų | 124 | 119.9 Ų | 119.9 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | | | trans | -92.1 | 154 | 149.2 | -59.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 412 | S | 32.3 | Very low | 34.6 | Very low | 103 Ų | 103 | 120.8 Ų | 120.8 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | | | cis | -174.5 | 126.8 | -16.8 | 45.6 | 0 | 0 | 0 | 0 | 105.3 | | |
| 413 | V | 33.8 | Very low | 33.6 | Very low | 128 Ų | 128 | 122.7 Ų | 122.7 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | | | cis | 80.2 | 104.9 | 30.8 | -172.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 414 | S | 39.3 | Very low | 34.1 | Very low | 105 Ų | 105 | 122.6 Ų | 122.6 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | | | trans | 69.8 | 163 | 159.8 | -56.7 | 0 | 0 | 0 | 0 | 117.2 | | |
| 415 | E | 28.3 | Very low | 34 | Very low | 180 Ų | 180 | 123.3 Ų | 123.3 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | | | cis | -138.6 | -170.2 | 18.8 | -35.1 | -157.9 | 96.4 | 0 | 0 | 116.6 | | |
| 416 | S | 31.3 | Very low | 34.2 | Very low | 96 Ų | 96 | 127.6 Ų | 127.6 | 67% | 0.671 | 79% | 0.789 | S | S | * | * | | | trans | -38.8 | 149.9 | 171.7 | 41.6 | 0 | 0 | 0 | 0 | 117.2 | | |
| 417 | S | 41.3 | Very low | 34.4 | Very low | 111 Ų | 111 | 124.5 Ų | 124.5 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | cis | 75.4 | 90.9 | 44.2 | -56.9 | 0 | 0 | 0 | 0 | 116.6 | | |
| 418 | V | 30.4 | Very low | 34.5 | Very low | 141 Ų | 141 | 127.7 Ų | 127.7 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | | | trans | -173 | 146.4 | 130.1 | -102.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 419 | S | 34.6 | Very low | 34.4 | Very low | 108 Ų | 108 | 124.9 Ų | 124.9 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | | | trans | 66.4 | 159.8 | 150.1 | 73.8 | 0 | 0 | 0 | 0 | 119.9 | | |
| 420 | S | 35.1 | Very low | 34.6 | Very low | 103 Ų | 103 | 126.9 Ų | 126.9 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | | | cis | -169.7 | 154.5 | -27.8 | -93.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 421 | C | 35.5 | Very low | 34.4 | Very low | 133 Ų | 133 | 127.6 Ų | 127.6 | 90% | 0.899 | 79% | 0.791 | S | S | * | * | | | trans | 67.3 | 155.2 | 167.7 | -57.9 | 0 | 0 | 0 | 0 | 116.7 | | |
| 422 | S | 42.5 | Very low | 35.1 | Very low | 124 Ų | 124 | 128.1 Ų | 128.1 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | | | cis | -136.9 | 176 | 3.7 | 57.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 423 | Q | 35.4 | Very low | 35 | Very low | 147 Ų | 147 | 131 Ų | 131 | 69% | 0.687 | 80% | 0.797 | S | S | * | * | | | trans | -115.7 | 147.7 | -165.9 | 162.2 | -173.1 | -11.2 | 0 | 0 | 112.6 | D425 | Q423-D425 PolarHBondContact NE2-OD1 3.22Å; Q423-D425 PolarHBondContact NE2-OD2 3.42Å |
| 424 | T | 41.5 | Very low | 35.3 | Very low | 141 Ų | 141 | 132.3 Ų | 132.3 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | | | trans | -145.3 | 127.3 | 152.7 | 51.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 425 | D | 33.6 | Very low | 35.4 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 62% | 0.62 | 80% | 0.803 | S | S | * | * | | | trans | -83.2 | 152.1 | -177.8 | -53.9 | -103.8 | 0 | 0 | 0 | 113.9 | Q423 | Q423-D425 PolarHBondContact NE2-OD1 3.22Å; Q423-D425 PolarHBondContact NE2-OD2 3.42Å |
| 426 | I | 35.2 | Very low | 35.7 | Very low | 165 Ų | 165 | 131.1 Ų | 131.1 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | | | trans | -138.9 | 121 | 143 | -50.8 | 179.2 | 0 | 0 | 0 | 108.2 | | |
| 427 | S | 33.9 | Very low | 35.6 | Very low | 108 Ų | 108 | 132.2 Ų | 132.2 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | | | trans | -103.4 | 142.1 | 168.5 | -70.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 428 | V | 32.7 | Very low | 35.3 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | | | trans | -134.5 | 104.6 | 163 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 429 | S | 32.3 | Very low | 35.3 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | | | trans | -83.2 | 138.3 | 164.4 | 47.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 430 | A | 34.3 | Very low | 35.1 | Very low | 106 Ų | 106 | 134.8 Ų | 134.8 | 88% | 0.876 | 80% | 0.803 | S | S | * | * | | | trans | -116.4 | 96.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 431 | Q | 32 | Very low | 34.8 | Very low | 193 Ų | 193 | 138 Ų | 138 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | | | trans | -131.9 | 142.8 | 175.5 | -159.8 | 153.3 | 20.5 | 0 | 0 | 110.7 | | |
| 432 | V | 42.1 | Very low | 34.4 | Very low | 134 Ų | 134 | 137.8 Ų | 137.8 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | | | trans | -80.4 | 136.7 | -166.2 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 433 | L | 30.7 | Very low | 34 | Very low | 165 Ų | 165 | 141.5 Ų | 141.5 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | | | trans | -167.9 | 157.4 | 139.5 | -106 | 161 | 0 | 0 | 0 | 112.6 | | |
| 434 | L | 39 | Very low | 33.8 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | | | trans | -86.9 | 162.7 | 176 | -66 | 164.1 | 0 | 0 | 0 | 111.1 | | |
| 435 | P | 41.3 | Very low | 33.1 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | | | trans | -126.3 | 153.4 | 139.3 | 36.4 | -28.4 | 0 | 0 | 0 | 113.3 | | |
| 436 | V | 33.9 | Very low | 33 | Very low | 132 Ų | 132 | 144.9 Ų | 144.9 | 80% | 0.8 | 82% | 0.815 | S | S | * | * | | | trans | -104.8 | 142.7 | 173.7 | 173.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 437 | S | 30.1 | Very low | 32.9 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | | | trans | -149.5 | 153.5 | 154 | 60.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 438 | V | 34.5 | Very low | 32.9 | Very low | 122 Ų | 122 | 145.9 Ų | 145.9 | 74% | 0.739 | 82% | 0.816 | S | S | * | * | | | trans | -133.4 | 128.8 | -176.8 | 175.1 | 0 | 0 | 0 | 0 | 106.9 | | |
| 439 | E | 30.7 | Very low | 32.9 | Very low | 186 Ų | 186 | 143.1 Ų | 143.1 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | | | trans | -167 | 179 | 138.2 | -113.4 | -179.3 | 148.5 | 0 | 0 | 114.3 | | |
| 440 | T | 29.8 | Very low | 32.9 | Very low | 106 Ų | 106 | 144.2 Ų | 144.2 | 65% | 0.65 | 81% | 0.81 | S | S | * | * | | | trans | -99.4 | -175.7 | -150.4 | 56.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 441 | Q | 30.3 | Very low | 32.7 | Very low | 170 Ų | 170 | 144.6 Ų | 144.6 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | | | trans | 79.9 | 142.8 | 168.9 | -54 | 179.9 | 36 | 0 | 0 | 115.4 | | |
| 442 | T | 27.1 | Very low | 33.1 | Very low | 128 Ų | 128 | 140.3 Ų | 140.3 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | cis | -153.3 | 155.8 | -6.3 | 4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 443 | F | 34 | Very low | 33 | Very low | 202 Ų | 202 | 140.5 Ų | 140.5 | 89% | 0.886 | 80% | 0.798 | S | S | * | * | | | trans | -94.1 | 162.3 | 169.2 | -111.5 | -76.3 | 0 | 0 | 0 | 112.2 | | |
| 444 | V | 31.6 | Very low | 33.3 | Very low | 130 Ų | 130 | 136 Ų | 136 | 79% | 0.788 | 79% | 0.792 | S | S | * | * | | | trans | 123.9 | 142.5 | 149.2 | 178.2 | 0 | 0 | 0 | 0 | 115.8 | | |
| 445 | S | 26.3 | Very low | 33.1 | Very low | 110 Ų | 110 | 132.7 Ų | 132.7 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | | | trans | 89.1 | 140.7 | 167 | 90.5 | 0 | 0 | 0 | 0 | 116.5 | | |
| 446 | R | 30.9 | Very low | 33 | Very low | 236 Ų | 236 | 135 Ų | 135 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | | | cis | -161.7 | 157.3 | -4.8 | -149.6 | 177.8 | -179 | 174.9 | 1.3 | 112.5 | | |
| 447 | A | 34.3 | Very low | 33.2 | Very low | 90 Ų | 90 | 134 Ų | 134 | 74% | 0.744 | 78% | 0.78 | S | S | * | * | | | trans | 68 | 153 | 163.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 448 | K | 32.8 | Very low | 33.4 | Very low | 204 Ų | 204 | 134.7 Ų | 134.7 | 89% | 0.887 | 78% | 0.775 | S | S | * | * | | | cis | -160.8 | 167.1 | -0.6 | -124.1 | -178 | -178.5 | -177.2 | 0 | 106.5 | | |
| 449 | A | 32.9 | Very low | 33.5 | Very low | 77 Ų | 77 | 132.9 Ų | 132.9 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | | | cis | -159.2 | -168.9 | 0.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 450 | T | 32.5 | Very low | 33.6 | Very low | 136 Ų | 136 | 132.6 Ų | 132.6 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | | | trans | -7.9 | 139.8 | 156.3 | 51.2 | 0 | 0 | 0 | 0 | 119.5 | | |
| 451 | S | 30.4 | Very low | 33.8 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | | | cis | -138.7 | 168.7 | 40.8 | -158.7 | 0 | 0 | 0 | 0 | 116.9 | | |
| 452 | S | 39.7 | Very low | 33.8 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | trans | -63.3 | 173.5 | -177 | 55.4 | 0 | 0 | 0 | 0 | 115.8 | | |
| 453 | V | 41 | Very low | 34 | Very low | 137 Ų | 137 | 130.1 Ų | 130.1 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | | | cis | -135.7 | 145.2 | 19.5 | 177.7 | 0 | 0 | 0 | 0 | 106.9 | | |
| 454 | G | 35.3 | Very low | 34.1 | Very low | 72 Ų | 72 | 128.6 Ų | 128.6 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | | | cis | 115.2 | 138.2 | 37.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 455 | A | 36.1 | Very low | 34.1 | Very low | 83 Ų | 83 | 129 Ų | 129 | 69% | 0.686 | 76% | 0.756 | S | S | * | * | | | cis | -146.4 | 165.7 | 15 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 456 | Q | 39.3 | Very low | 34 | Very low | 178 Ų | 178 | 130.1 Ų | 130.1 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | | | trans | 36.1 | 144.8 | 134.9 | -63.8 | -178.4 | -64.4 | 0 | 0 | 120.7 | | |
| 457 | T | 36.9 | Very low | 33.9 | Very low | 109 Ų | 109 | 123.8 Ų | 123.8 | 67% | 0.669 | 75% | 0.75 | S | S | * | * | | | cis | -176.2 | 161.4 | -4.6 | 29.2 | 0 | 0 | 0 | 0 | 105.9 | | |
| 458 | D | 35.1 | Very low | 34.6 | Very low | 136 Ų | 136 | 125.1 Ų | 125.1 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | | | cis | -158.1 | 179.1 | 1 | -134.9 | -42.3 | 0 | 0 | 0 | 110.7 | | |
| 459 | S | 36.4 | Very low | 34.4 | Very low | 84 Ų | 84 | 121.4 Ų | 121.4 | 59% | 0.587 | 75% | 0.75 | S | S | * | * | | | trans | 26.5 | 146.3 | 150.2 | 66.8 | 0 | 0 | 0 | 0 | 123 | | |
| 460 | Q | 33.9 | Very low | 34.5 | Very low | 179 Ų | 179 | 122.9 Ų | 122.9 | 84% | 0.836 | 76% | 0.755 | S | S | * | * | | | cis | -164.1 | 129.1 | -4.2 | -103.8 | 158.4 | 36.2 | 0 | 0 | 105.9 | | |
| 461 | C | 32.5 | Very low | 34.3 | Very low | 112 Ų | 112 | 121.4 Ų | 121.4 | 76% | 0.757 | 75% | 0.751 | S | S | * | * | | | | 63.2 | 114 | 89.9 | -162.4 | 0 | 0 | 0 | 0 | 116.1 | | |
| 462 | L | 30.6 | Very low | 34.2 | Very low | 148 Ų | 148 | 122.7 Ų | 122.7 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | | | | 167.6 | 132.9 | 106.6 | -164.5 | 73.2 | 0 | 0 | 0 | 113.7 | | |
| 463 | S | 32.2 | Very low | 33.9 | Very low | 93 Ų | 93 | 125.3 Ų | 125.3 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | | | trans | 58.6 | 155.8 | 154.2 | 58.3 | 0 | 0 | 0 | 0 | 121.7 | | |
| 464 | Q | 35.7 | Very low | 34.3 | Very low | 169 Ų | 169 | 123.4 Ų | 123.4 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | | | cis | -162.3 | 155.3 | -21 | -105.7 | 173.2 | 3.6 | 0 | 0 | 109.3 | | |
| 465 | I | 30.5 | Very low | 33.9 | Very low | 140 Ų | 140 | 130.9 Ų | 130.9 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | | | trans | 20.1 | 122.4 | 144 | -35.2 | 167.6 | 0 | 0 | 0 | 116.6 | | |
| 466 | T | 24.4 | Very low | 33.6 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 82% | 0.816 | 76% | 0.761 | S | S | * | * | | | | -171.8 | 162 | 68.8 | -38.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 467 | S | 29.4 | Very low | 33.2 | Very low | 103 Ų | 103 | 133 Ų | 133 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | | | trans | -72.5 | -177.2 | 165.4 | -30 | 0 | 0 | 0 | 0 | 113.1 | | |
| 468 | P | 48.8 | Very low | 33 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | | | cis | -136.6 | 168.8 | -6.1 | 41.3 | -23.7 | 0 | 0 | 0 | 117.2 | | |
| 469 | C | 29.8 | Very low | 33.1 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | | | trans | 39 | 127.4 | 147.5 | -145.7 | 0 | 0 | 0 | 0 | 124.1 | | |
| 470 | S | 33.5 | Very low | 32.7 | Very low | 108 Ų | 108 | 139.6 Ų | 139.6 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | | | trans | 74.7 | 111.7 | 148.1 | -160.8 | 0 | 0 | 0 | 0 | 120.8 | | |
| 471 | S | 28.8 | Very low | 32.7 | Very low | 105 Ų | 105 | 136 Ų | 136 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | | | | 176.2 | 141.3 | 112.5 | 59.9 | 0 | 0 | 0 | 0 | 114.5 | | |
| 472 | V | 27.9 | Very low | 32.4 | Very low | 140 Ų | 140 | 137.4 Ų | 137.4 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | | | trans | 72.7 | 148 | 151.9 | 177.2 | 0 | 0 | 0 | 0 | 120.6 | | |
| 473 | L | 33.3 | Very low | 32.3 | Very low | 158 Ų | 158 | 138.6 Ų | 138.6 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | | | trans | -73.5 | -176.7 | 177.5 | -91.1 | 72.2 | 0 | 0 | 0 | 113.5 | | |
| 474 | P | 49 | Very low | 32.2 | Very low | 98 Ų | 98 | 142.7 Ų | 142.7 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | | | cis | -128.2 | -175.8 | -3.5 | 39.1 | -22.6 | 0 | 0 | 0 | 114.1 | | |
| 475 | Y | 27.6 | Very low | 31.8 | Very low | 229 Ų | 229 | 138.8 Ų | 138.8 | 90% | 0.898 | 76% | 0.761 | S | S | * | * | | | | -176 | 173 | 118.5 | -114.2 | -87.9 | 0 | 0 | 0 | 112 | | |
| 476 | K | 29.1 | Very low | 32 | Very low | 181 Ų | 181 | 140.9 Ų | 140.9 | 79% | 0.787 | 77% | 0.77 | S | S | * | * | | | trans | -136.3 | 155.3 | -170.9 | -160.3 | 179.6 | -173 | -179.5 | 0 | 112.1 | | |
| 477 | T | 31.6 | Very low | 32.8 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | | | trans | 75.3 | 156.5 | 177.5 | 80.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 478 | K | 33.4 | Very low | 32.9 | Very low | 205 Ų | 205 | 144.8 Ų | 144.8 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | | | cis | -147.3 | 178.9 | 18.3 | -146.1 | 157 | -172.7 | 176.2 | 0 | 113.2 | | |
| 479 | Q | 36 | Very low | 32.3 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 55% | 0.547 | 78% | 0.78 | S | S | . | * | | | trans | -115.8 | 152.8 | -166 | 175.7 | -168 | 41.8 | 0 | 0 | 112.4 | Q481 | Q479-Q481 HydrophobicContact CG-CG 4.18Š|
| 480 | T | 29.4 | Very low | 32.2 | Very low | 146 Ų | 146 | 148.5 Ų | 148.5 | 90% | 0.896 | 78% | 0.778 | S | S | * | * | | | trans | -140.9 | 153.7 | 156.5 | -42.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 481 | Q | 33.5 | Very low | 31.8 | Very low | 103 Ų | 103 | 150.3 Ų | 150.3 | 48% | 0.481 | 77% | 0.774 | S | S | . | * | | | trans | -133.8 | 162.4 | -168.2 | -55.8 | 174.3 | -1 | 0 | 0 | 113.3 | Q479 | Q479-Q481 HydrophobicContact CG-CG 4.18Š|
| 482 | T | 26.4 | Very low | 31.8 | Very low | 141 Ų | 141 | 153.1 Ų | 153.1 | 87% | 0.865 | 77% | 0.773 | S | S | * | * | | | trans | -154.2 | 102.5 | 146.8 | 12.7 | 0 | 0 | 0 | 0 | 107.7 | | |
| 483 | Y | 27.7 | Very low | 31.8 | Very low | 173 Ų | 173 | 150.5 Ų | 150.5 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | | | | 60.2 | 110.7 | 84 | -95.6 | -110.4 | 0 | 0 | 0 | 114.5 | | |
| 484 | F | 30.6 | Very low | 31.6 | Very low | 179 Ų | 179 | 150.7 Ų | 150.7 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | | 80.8 | 151.2 | 68.4 | -86.7 | -70.8 | 0 | 0 | 0 | 112.5 | | |
| 485 | A | 27.6 | Very low | 30.6 | Very low | 88 Ų | 88 | 152.2 Ų | 152.2 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | cis | -150.5 | 179 | 14.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 486 | M | 35 | Very low | 30.7 | Very low | 184 Ų | 184 | 149.7 Ų | 149.7 | 91% | 0.906 | 76% | 0.762 | S | S | * | * | | | trans | -100 | 162.1 | 161.1 | -72.2 | -83 | -131.1 | 0 | 0 | 110.7 | | |
| 487 | P | 40 | Very low | 30.8 | Very low | 129 Ų | 129 | 145.5 Ų | 145.5 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | | | trans | -117.5 | 167.2 | 167.2 | 39.5 | -29.4 | 0 | 0 | 0 | 114.5 | | |
| 488 | Q | 32.8 | Very low | 30.7 | Very low | 188 Ų | 188 | 143.8 Ų | 143.8 | 88% | 0.879 | 76% | 0.76 | S | S | * | * | | | trans | -143.7 | 140.9 | 176.1 | -175.7 | 176.4 | 3.7 | 0 | 0 | 110.3 | | |
| 489 | L | 34.9 | Very low | 30.6 | Very low | 149 Ų | 149 | 142.4 Ų | 142.4 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | | | trans | 26.6 | 128.4 | 160.4 | -154.9 | 72.5 | 0 | 0 | 0 | 121.3 | | |
| 490 | E | 26.9 | Very low | 30.5 | Very low | 173 Ų | 173 | 142.4 Ų | 142.4 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | | | | 159.9 | 151.8 | 109.1 | -161.1 | 149.9 | -136.5 | 0 | 0 | 115.7 | | |
| 491 | E | 27 | Very low | 30.6 | Very low | 146 Ų | 146 | 139.6 Ų | 139.6 | 68% | 0.682 | 76% | 0.762 | S | S | * | * | | | trans | 23.9 | 136.7 | 171.1 | -95.6 | -137.4 | 116.5 | 0 | 0 | 127.9 | | |
| 492 | K | 27.4 | Very low | 30.3 | Very low | 164 Ų | 164 | 141 Ų | 141 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | | | trans | 96.4 | 127.5 | 133.7 | -114.7 | 179.2 | -162.9 | 76.3 | 0 | 124.1 | | |
| 493 | A | 27.4 | Very low | 30.5 | Very low | 86 Ų | 86 | 142.9 Ų | 142.9 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | | | trans | 84.9 | 109.9 | 142.2 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 494 | Q | 29.1 | Very low | 30.7 | Very low | 162 Ų | 162 | 142.9 Ų | 142.9 | 76% | 0.757 | 78% | 0.78 | S | S | * | * | | | trans | 64.8 | 111.4 | 131.2 | -151.3 | 69.3 | 33 | 0 | 0 | 118.1 | | |
| 495 | D | 29.4 | Very low | 30.6 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | | | | -162.1 | 147.2 | 65 | -137.4 | -11.1 | 0 | 0 | 0 | 117 | | |
| 496 | Q | 30.2 | Very low | 30.8 | Very low | 175 Ų | 175 | 143.3 Ų | 143.3 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | 13.7 | 116.5 | 152.6 | -168.4 | 161.4 | 95.1 | 0 | 0 | 123.6 | | |
| 497 | A | 30 | Very low | 30.4 | Very low | 93 Ų | 93 | 141.7 Ų | 141.7 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | | | | -179 | 121.7 | 116.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 498 | A | 29.6 | Very low | 30.2 | Very low | 89 Ų | 89 | 140.8 Ų | 140.8 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | | | trans | 57.9 | 117.9 | 143.7 | 0 | 0 | 0 | 0 | 0 | 124.2 | | |
| 499 | M | 31.6 | Very low | 29.9 | Very low | 176 Ų | 176 | 139.9 Ų | 139.9 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | | | trans | 67.9 | 120.3 | 138.3 | -52.6 | -81.8 | -92.3 | 0 | 0 | 117.4 | | |
| 500 | C | 32.9 | Very low | 29.5 | Very low | 117 Ų | 117 | 138 Ų | 138 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | cis | -152.5 | 171.9 | 34 | -82.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 501 | A | 32.7 | Very low | 29.6 | Very low | 86 Ų | 86 | 136.3 Ų | 136.3 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | | | trans | -49 | 139.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 502 | D | 26.5 | Very low | 29.6 | Very low | 133 Ų | 133 | 134.2 Ų | 134.2 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | | | | 72.6 | 107.6 | 55.7 | -75 | -43.3 | 0 | 0 | 0 | 114.9 | | |
| 503 | L | 31.4 | Very low | 29.6 | Very low | 180 Ų | 180 | 132.3 Ų | 132.3 | 94% | 0.942 | 77% | 0.77 | S | S | * | * | | | | -159.1 | 142.4 | 116.8 | -101 | 169.9 | 0 | 0 | 0 | 109 | | |
| 504 | F | 32.3 | Very low | 29.8 | Very low | 174 Ų | 174 | 137.1 Ų | 137.1 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | | | trans | -111.6 | -174.6 | -167.8 | -98.5 | -94.4 | 0 | 0 | 0 | 112.5 | | |
| 505 | E | 29 | Very low | 29.7 | Very low | 166 Ų | 166 | 135.6 Ų | 135.6 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | trans | 83.3 | 147.5 | 157.9 | -52.3 | -155.1 | 129.9 | 0 | 0 | 118.7 | | |
| 506 | N | 31.4 | Very low | 29.5 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 59% | 0.588 | 78% | 0.783 | S | S | * | * | | | cis | -160.3 | 161.5 | -29.1 | -105.8 | -18.5 | 0 | 0 | 0 | 110.2 | | |
| 507 | D | 26.8 | Very low | 29.6 | Very low | 149 Ų | 149 | 132.5 Ų | 132.5 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | | | trans | 53 | 150.5 | 150.8 | -70.5 | -40.1 | 0 | 0 | 0 | 123.2 | | |
| 508 | S | 34.4 | Very low | 29.5 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | -95.1 | 139.3 | 161.5 | -55 | 0 | 0 | 0 | 0 | 109.3 | | |
| 509 | L | 27.7 | Very low | 29.8 | Very low | 168 Ų | 168 | 138.5 Ų | 138.5 | 88% | 0.88 | 79% | 0.785 | S | S | * | * | | | trans | 178.4 | 145.3 | 143.5 | -102.3 | 164.2 | 0 | 0 | 0 | 113.6 | | |
| 510 | S | 26.8 | Very low | 29.8 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | | | trans | 65.1 | 173.1 | 171.5 | 86.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 511 | V | 27.3 | Very low | 29.7 | Very low | 139 Ų | 139 | 138.2 Ų | 138.2 | 84% | 0.842 | 77% | 0.774 | S | S | * | * | | | cis | -121.7 | 152.2 | 38.6 | 170.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 512 | S | 28.1 | Very low | 29.6 | Very low | 102 Ų | 102 | 140.3 Ų | 140.3 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | | | trans | -85.8 | 173.4 | -179.7 | -166.9 | 0 | 0 | 0 | 0 | 113.5 | Q514 | S512-Q514 PolarHBondContact O-N 2.72Š|
| 513 | T | 28.2 | Very low | 29.9 | Very low | 124 Ų | 124 | 141.5 Ų | 141.5 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | | | trans | -61.1 | 128.2 | 173.2 | 52.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 514 | Q | 30.5 | Very low | 29.8 | Very low | 186 Ų | 186 | 141.1 Ų | 141.1 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | | | | -163.7 | 157.7 | 127.8 | -112.7 | 169 | 4.3 | 0 | 0 | 114.6 | S512 | S512-Q514 PolarHBondContact O-N 2.72Š|
| 515 | T | 26.6 | Very low | 29.7 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -47.4 | 141 | 178.9 | 44.4 | 0 | 0 | 0 | 0 | 117.4 | | |
| 516 | C | 25.4 | Very low | 29.8 | Very low | 114 Ų | 114 | 134.8 Ų | 134.8 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | | | | -153 | 158.2 | 114.4 | -157.7 | 0 | 0 | 0 | 0 | 111 | | |
| 517 | V | 32.8 | Very low | 29.7 | Very low | 125 Ų | 125 | 132.9 Ų | 132.9 | 76% | 0.758 | 80% | 0.798 | S | S | * | * | | | trans | -129.2 | 113.4 | 167.6 | 172.1 | 0 | 0 | 0 | 0 | 107.1 | I519 | V517-I519 HydrophobicContact CG1-CG1 4.36Å; V517-I519 PolarHBondContact O-N 2.96Å |
| 518 | D | 27.1 | Very low | 29.9 | Very low | 158 Ų | 158 | 131.5 Ų | 131.5 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | | | trans | -79.1 | 116.3 | 173.9 | -85.1 | -49.8 | 0 | 0 | 0 | 110.9 | | |
| 519 | I | 36.8 | Very low | 29.5 | Very low | 150 Ų | 150 | 133.7 Ų | 133.7 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | | | trans | -135.5 | 129.8 | 157.3 | -61.9 | -175.9 | 0 | 0 | 0 | 108.8 | V517 | V517-I519 HydrophobicContact CG1-CG1 4.36Å; V517-I519 PolarHBondContact O-N 2.96Å |
| 520 | N | 30.7 | Very low | 29.8 | Very low | 126 Ų | 126 | 133.8 Ų | 133.8 | 67% | 0.674 | 80% | 0.803 | S | S | * | * | | | trans | -38.9 | 153.7 | -176.4 | -79.9 | 31.5 | 0 | 0 | 0 | 119.2 | | |
| 521 | E | 30.9 | Very low | 30.1 | Very low | 161 Ų | 161 | 138.5 Ų | 138.5 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | | | trans | 35.5 | 127.1 | 131.7 | -49.6 | 170.8 | 118 | 0 | 0 | 117.6 | | |
| 522 | T | 31.1 | Very low | 30.2 | Very low | 130 Ų | 130 | 140 Ų | 140 | 80% | 0.798 | 80% | 0.804 | S | S | * | * | | | | -174.9 | 153.3 | 73.7 | -60.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 523 | L | 32.5 | Very low | 30.3 | Very low | 159 Ų | 159 | 141.4 Ų | 141.4 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | | | trans | -62.9 | 140.2 | 170.3 | -69.6 | 164.8 | 0 | 0 | 0 | 112.8 | | |
| 524 | N | 30 | Very low | 30.6 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 92% | 0.92 | 79% | 0.789 | S | S | * | * | | | trans | -163.6 | 155 | 134.3 | -105 | -42.6 | 0 | 0 | 0 | 112 | | |
| 525 | A | 30.2 | Very low | 30.7 | Very low | 97 Ų | 97 | 138.4 Ų | 138.4 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | | | trans | -120.7 | 147.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 526 | A | 30.2 | Very low | 30.9 | Very low | 110 Ų | 110 | 137 Ų | 137 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | | | trans | 163.4 | 156.4 | 140.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 527 | G | 29.3 | Very low | 31 | Very low | 70 Ų | 70 | 138.5 Ų | 138.5 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | | | trans | 124.3 | 96.6 | 147.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 528 | S | 30.4 | Very low | 31.1 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | trans | 48.8 | 100.3 | 142.5 | -56.7 | 0 | 0 | 0 | 0 | 121 | | |
| 529 | N | 27.1 | Very low | 31.2 | Very low | 157 Ų | 157 | 133.3 Ų | 133.3 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | | | | -17.7 | 150.5 | 128.1 | -53.1 | -42.3 | 0 | 0 | 0 | 116.4 | | |
| 530 | L | 34.3 | Very low | 31 | Very low | 171 Ų | 171 | 133.9 Ų | 133.9 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | | | | -156.4 | 139.9 | 115.8 | -106.8 | 170.3 | 0 | 0 | 0 | 112.4 | | |
| 531 | Y | 32.3 | Very low | 30.8 | Very low | 208 Ų | 208 | 133.5 Ų | 133.5 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | | | trans | -75 | 173.7 | 162.3 | -97.6 | -140.3 | 0 | 0 | 0 | 109.5 | | |
| 532 | E | 29.1 | Very low | 30.6 | Very low | 171 Ų | 171 | 135.5 Ų | 135.5 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | | | cis | -129.9 | 161.9 | 11.3 | -80.1 | -170.2 | 135.5 | 0 | 0 | 109.1 | | |
| 533 | D | 30 | Very low | 30.5 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | | | cis | 103.2 | 145.5 | 32 | -165.4 | 50.2 | 0 | 0 | 0 | 115.8 | | |
| 534 | S | 34.8 | Very low | 30.2 | Very low | 66 Ų | 66 | 132 Ų | 132 | 46% | 0.462 | 80% | 0.8 | S | S | . | * | | | trans | 64.5 | 112.1 | 158.7 | -80.6 | 0 | 0 | 0 | 0 | 123 | | |
| 535 | K | 32.8 | Very low | 30.4 | Very low | 180 Ų | 180 | 132.1 Ų | 132.1 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | | | | 58.7 | 110.2 | 118.1 | -70.8 | 166 | -171.2 | 148.3 | 0 | 119.1 | | |
| 536 | S | 30.8 | Very low | 30.4 | Very low | 102 Ų | 102 | 133.8 Ų | 133.8 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | | | | 87 | 128.9 | 68.1 | 74.9 | 0 | 0 | 0 | 0 | 115.8 | | |
| 537 | V | 28.4 | Very low | 30.7 | Very low | 145 Ų | 145 | 136.3 Ų | 136.3 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | | | trans | 175 | 150.4 | 134.5 | 146.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 538 | A | 35.4 | Very low | 30.8 | Very low | 96 Ų | 96 | 139.2 Ų | 139.2 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | | | trans | -98.7 | 164 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 539 | G | 27.4 | Very low | 31.1 | Very low | 78 Ų | 78 | 141.4 Ų | 141.4 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | -144.6 | 137.8 | 169 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 540 | L | 34.1 | Very low | 31.1 | Very low | 163 Ų | 163 | 137.9 Ų | 137.9 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | | | trans | -130.2 | 146.9 | -169.6 | -72.3 | 166.3 | 0 | 0 | 0 | 112.2 | | |
| 541 | C | 26.4 | Very low | 31 | Very low | 117 Ų | 117 | 133.5 Ų | 133.5 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | | | trans | -154.6 | 118.2 | 151.5 | -94 | 0 | 0 | 0 | 0 | 107.9 | | |
| 542 | F | 27.1 | Very low | 30.8 | Very low | 204 Ų | 204 | 128.9 Ų | 128.9 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | | | | 71.4 | 122.4 | 80 | -81.3 | -66.2 | 0 | 0 | 0 | 113.7 | | |
| 543 | G | 27.6 | Very low | 31 | Very low | 67 Ų | 67 | 128.5 Ų | 128.5 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | | | cis | -139.1 | -140.2 | -2.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 544 | V | 27.3 | Very low | 31.4 | Very low | 148 Ų | 148 | 130.6 Ų | 130.6 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | | | cis | -149.3 | 179.2 | 3.2 | 178.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 545 | Q | 33.8 | Very low | 31.8 | Very low | 174 Ų | 174 | 132 Ų | 132 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | | | trans | -80 | 167.1 | -179.7 | -63.7 | 172.1 | -8 | 0 | 0 | 112.8 | | |
| 546 | T | 30.2 | Very low | 32.1 | Very low | 133 Ų | 133 | 129.2 Ų | 129.2 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | | | cis | -149.9 | 175.3 | 43.6 | 48.2 | 0 | 0 | 0 | 0 | 116.3 | | |
| 547 | H | 36.5 | Very low | 32.9 | Very low | 163 Ų | 163 | 131.8 Ų | 131.8 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | | | trans | -50.1 | 168.3 | 176.2 | -90.8 | -115.2 | 0 | 0 | 0 | 116.9 | | |
| 548 | D | 31 | Very low | 33.8 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | | | cis | -149.4 | -170.3 | 22.9 | -132.5 | -36.6 | 0 | 0 | 0 | 116.7 | | |
| 549 | L | 36.5 | Very low | 34.7 | Very low | 165 Ų | 165 | 132 Ų | 132 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | | | trans | -70.7 | 149.1 | -159.9 | -72.2 | 156.5 | 0 | 0 | 0 | 122.1 | | |
| 550 | G | 28.1 | Very low | 35.7 | Very low | 83 Ų | 83 | 136.3 Ų | 136.3 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | | | trans | 108.6 | 139.5 | 146.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 551 | G | 30.6 | Very low | 36.5 | Very low | 78 Ų | 78 | 133.5 Ų | 133.5 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | cis | 170.9 | 157 | -9.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 552 | S | 29.1 | Very low | 37.8 | Very low | 112 Ų | 112 | 132.9 Ų | 132.9 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | | | trans | 78 | 95.5 | 167.6 | -169.9 | 0 | 0 | 0 | 0 | 121.9 | | |
| 553 | N | 33.2 | Very low | 39 | Very low | 162 Ų | 162 | 127 Ų | 127 | 87% | 0.866 | 75% | 0.748 | S | S | * | * | | | | 59.8 | 162.4 | 123.4 | -65 | -15.3 | 0 | 0 | 0 | 124.3 | | |
| 554 | M | 38.3 | Very low | 40.2 | Very low | 176 Ų | 176 | 129.5 Ų | 129.5 | 87% | 0.867 | 75% | 0.745 | S | S | * | * | | | trans | -99.2 | 160.3 | -172.3 | -62.2 | 170.5 | 59.4 | 0 | 0 | 114 | | |
| 555 | A | 42.6 | Very low | 41.5 | Very low | 96 Ų | 96 | 127.5 Ų | 127.5 | 79% | 0.793 | 73% | 0.729 | S | S | * | * | | | trans | 58.1 | 114.3 | 145.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 556 | D | 39.5 | Very low | 42.5 | Very low | 121 Ų | 121 | 123 Ų | 123 | 65% | 0.647 | 71% | 0.71 | S | S | * | * | | | trans | -146.6 | 145.7 | 130.6 | -154.7 | -22.3 | 0 | 0 | 0 | 109.5 | Q558 | D556-Q558 PolarHBondContact OD1-N 3.27Š|
| 557 | N | 46.9 | Very low | 43.6 | Very low | 155 Ų | 155 | 120.9 Ų | 120.9 | 83% | 0.829 | 69% | 0.693 | S | S | * | * | | | trans | -157.9 | 28.7 | 177.3 | -141 | -11 | 0 | 0 | 0 | 112.6 | | |
| 558 | Q | 47.9 | Very low | 44.6 | Very low | 163 Ų | 163 | 117.7 Ų | 117.7 | 76% | 0.762 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -120 | -0.6 | 179.3 | -66.2 | -164.4 | -70.8 | 0 | 0 | 114.7 | D556 | D556-Q558 PolarHBondContact OD1-N 3.27Š|
| 559 | T | 54.4 | Low | 45.7 | Very low | 82 Ų | 82 | 118 Ų | 118 | 50% | 0.503 | 68% | 0.679 | S | S | . | * | S | Bend | trans | -86 | -24.5 | -168.7 | -16.4 | 0 | 0 | 0 | 0 | 114.9 | T561 I562 | T559-T561 VanDerWaalsContact C-N 3.34Å; T559-T561 PolarHBondContact O-N 2.95Å; T559-I562 PolarHBondContact O-N 2.92Å |
| 560 | Q | 49.1 | Very low | 46.4 | Very low | 170 Ų | 170 | 115 Ų | 115 | 79% | 0.794 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -69.7 | -25.3 | -172.6 | -69.6 | -174.2 | -6.3 | 0 | 0 | 114.4 | I562 | Q560-I562 VanDerWaalsContact C-N 3.34Å |
| 561 | T | 50.1 | Low | 47.7 | Very low | 103 Ų | 103 | 117.4 Ų | 117.4 | 63% | 0.632 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -75.1 | -22.6 | 179.2 | -37 | 0 | 0 | 0 | 0 | 112.8 | T559 | T559-T561 VanDerWaalsContact C-N 3.34Å; T559-T561 PolarHBondContact O-N 2.95Å |
| 562 | I | 54.9 | Low | 48.7 | Very low | 104 Ų | 104 | 120.8 Ų | 120.8 | 53% | 0.533 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -87.2 | -32.7 | -172.2 | -63.6 | 177 | 0 | 0 | 0 | 111.8 | T559 Q560 L565 N566 | T559-I562 PolarHBondContact O-N 2.92Å; Q560-I562 VanDerWaalsContact C-N 3.34Å; I562-L565 PolarHBondContact O-N 3.12Å; I562-N566 PolarHBondContact O-N 3.28Å; I562-N566 PolarHBondContact O-ND2 2.82Å |
| 563 | T | 51.1 | Low | 49.5 | Very low | 82 Ų | 82 | 119.2 Ų | 119.2 | 50% | 0.503 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -62.4 | -46.9 | 174.3 | -44.8 | 0 | 0 | 0 | 0 | 111.1 | L565 N566 D567 | T563-L565 PolarHBondContact O-N 3.15Å; T563-L565 VanDerWaalsContact O-N 3.08Å; T563-N566 PolarHBondContact O-N 3.47Å; T563-N566 VanDerWaalsContact O-N 3.1Å; T563-D567 PolarHBondContact O-N 2.85Å |
| 564 | L | 53.1 | Low | 49.9 | Very low | 118 Ų | 118 | 118.7 Ų | 118.7 | 62% | 0.618 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -64.6 | -14.9 | -178.2 | -124.9 | 167 | 0 | 0 | 0 | 114.1 | L568 | L564-L568 WeakPolarHBondContact O-CD1 3.41Å |
| 565 | L | 54 | Low | 50.1 | Low | 107 Ų | 107 | 119.5 Ų | 119.5 | 56% | 0.56 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -93.3 | -38.2 | 173 | -68.6 | 170.8 | 0 | 0 | 0 | 112 | I562 T563 D567 L568 E569 | I562-L565 PolarHBondContact O-N 3.12Å; T563-L565 PolarHBondContact O-N 3.15Å; T563-L565 VanDerWaalsContact O-N 3.08Å; L565-D567 VanDerWaalsContact C-N 3.35Å; L565-D567 PolarHBondContact O-N 3.04Å; L565-L568 PolarHBondContact O-N 3Å; L565-E569 PolarHBondContact O-N 3.01Å |
| 566 | N | 56.3 | Low | 49.9 | Very low | 80 Ų | 80 | 123.3 Ų | 123.3 | 43% | 0.428 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -62.9 | -39.7 | 174.1 | -85.9 | -91.8 | 0 | 0 | 0 | 112.2 | I562 T563 L568 E569 N570 | I562-N566 PolarHBondContact O-N 3.28Å; I562-N566 PolarHBondContact O-ND2 2.82Å; T563-N566 PolarHBondContact O-N 3.47Å; T563-N566 VanDerWaalsContact O-N 3.1Å; N566-L568 PolarHBondContact O-N 3.41Å; N566-E569 PolarHBondContact O-N 3.43Å; N566-N570 PolarHBondContact O-N 3.36Å; N566-N570 PolarHBondContact O-ND2 2.85Å; N566-N570 VanDerWaalsContact O-ND2 3.07Å |
| 567 | D | 52.5 | Low | 49.6 | Very low | 87 Ų | 87 | 123 Ų | 123 | 47% | 0.465 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -63.3 | -28.8 | 178.8 | -66.9 | -23.6 | 0 | 0 | 0 | 112.1 | T563 L565 I571 | T563-D567 PolarHBondContact O-N 2.85Å; L565-D567 VanDerWaalsContact C-N 3.35Å; L565-D567 PolarHBondContact O-N 3.04Å; D567-I571 WeakPolarHBondContact O-CD1 3.38Å; D567-I571 WeakPolarHBondContact O-CG1 3.47Å; D567-I571 PolarHBondContact O-N 3.11Å |
| 568 | L | 56.6 | Low | 48.9 | Very low | 97 Ų | 97 | 123.7 Ų | 123.7 | 51% | 0.508 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -79.5 | -31.9 | 175.7 | -67.5 | 173 | 0 | 0 | 0 | 113.1 | L564 L565 N566 L572 | L564-L568 WeakPolarHBondContact O-CD1 3.41Å; L565-L568 PolarHBondContact O-N 3Å; N566-L568 PolarHBondContact O-N 3.41Å; L568-L572 WeakPolarHBondContact O-CG 3.38Å; L568-L572 PolarHBondContact O-N 3.34Å |
| 569 | E | 55.4 | Low | 48.1 | Very low | 136 Ų | 136 | 120.6 Ų | 120.6 | 64% | 0.636 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -72.1 | -34.8 | 172.7 | -69.1 | -169.7 | 138.5 | 0 | 0 | 111.9 | L565 N566 L572 S573 | L565-E569 PolarHBondContact O-N 3.01Å; N566-E569 PolarHBondContact O-N 3.43Å; E569-L572 PolarHBondContact O-N 2.92Å; E569-S573 PolarHBondContact O-N 3.28Å; E569-S573 PolarHBondContact O-OG 2.92Å |
| 570 | N | 50 | Low | 47 | Very low | 103 Ų | 103 | 125.6 Ų | 125.6 | 55% | 0.551 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -64.1 | -44.7 | 175.7 | -77.8 | -53.7 | 0 | 0 | 0 | 112.2 | N566 L572 S573 | N566-N570 PolarHBondContact O-N 3.36Å; N566-N570 PolarHBondContact O-ND2 2.85Å; N566-N570 VanDerWaalsContact O-ND2 3.07Å; N570-L572 PolarHBondContact O-N 2.92Å; N570-S573 PolarHBondContact O-N 3.39Å |
| 571 | I | 57 | Low | 46.1 | Very low | 133 Ų | 133 | 122.5 Ų | 122.5 | 68% | 0.682 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -62.7 | -26.6 | 178.4 | -67.9 | 167.8 | 0 | 0 | 0 | 112.3 | D567 | D567-I571 WeakPolarHBondContact O-CD1 3.38Å; D567-I571 WeakPolarHBondContact O-CG1 3.47Å; D567-I571 PolarHBondContact O-N 3.11Å |
| 572 | L | 50 | Low | 45.1 | Very low | 149 Ų | 149 | 123.4 Ų | 123.4 | 78% | 0.78 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -89.4 | -6.9 | 177.1 | -67.2 | 173.2 | 0 | 0 | 0 | 113.9 | L568 E569 N570 | L568-L572 WeakPolarHBondContact O-CG 3.38Å; L568-L572 PolarHBondContact O-N 3.34Å; E569-L572 PolarHBondContact O-N 2.92Å; N570-L572 PolarHBondContact O-N 2.92Å |
| 573 | S | 46.7 | Very low | 44 | Very low | 79 Ų | 79 | 123 Ų | 123 | 55% | 0.552 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -92 | -26.1 | -176.9 | -61.4 | 0 | 0 | 0 | 0 | 114 | E569 N570 H575 | E569-S573 PolarHBondContact O-N 3.28Å; E569-S573 PolarHBondContact O-OG 2.92Å; N570-S573 PolarHBondContact O-N 3.39Å; S573-H575 PolarHBondContact O-N 3.4Å |
| 574 | D | 40.6 | Very low | 42.8 | Very low | 152 Ų | 152 | 123 Ų | 123 | 81% | 0.813 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | 14.3 | -170.4 | -112.6 | 6.1 | 0 | 0 | 0 | 115.1 | | |
| 575 | H | 43.7 | Very low | 41.7 | Very low | 192 Ų | 192 | 124.2 Ų | 124.2 | 89% | 0.889 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.9 | 33.8 | 178.5 | -96.8 | -7.3 | 0 | 0 | 0 | 114.5 | S573 | S573-H575 PolarHBondContact O-N 3.4Š|
| 576 | Q | 37.3 | Very low | 40.5 | Very low | 177 Ų | 177 | 122.6 Ų | 122.6 | 83% | 0.827 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -142.3 | 139 | 163.6 | -128.8 | 170.9 | 42.9 | 0 | 0 | 115 | | |
| 577 | V | 33.4 | Very low | 39.4 | Very low | 114 Ų | 114 | 124.9 Ų | 124.9 | 69% | 0.691 | 75% | 0.748 | S | S | * | * | | | trans | 78.3 | 99 | 167.8 | -165.5 | 0 | 0 | 0 | 0 | 118.6 | | |
| 578 | I | 32 | Very low | 38.3 | Very low | 169 Ų | 169 | 123.4 Ų | 123.4 | 87% | 0.867 | 75% | 0.754 | S | S | * | * | | | trans | -126.7 | 91.8 | 134.1 | -61.1 | 180 | 0 | 0 | 0 | 105.6 | | |
| 579 | T | 30.9 | Very low | 37.9 | Very low | 98 Ų | 98 | 124.8 Ų | 124.8 | 60% | 0.601 | 77% | 0.769 | S | S | * | * | | | | 90.4 | 99.5 | 86.9 | -58.6 | 0 | 0 | 0 | 0 | 114 | | |
| 580 | E | 32.9 | Very low | 36.5 | Very low | 188 Ų | 188 | 121.6 Ų | 121.6 | 88% | 0.879 | 77% | 0.772 | S | S | * | * | | | trans | 26 | 129.2 | 144.9 | -51 | -170 | 137.1 | 0 | 0 | 122.6 | | |
| 581 | A | 29.9 | Very low | 35.7 | Very low | 105 Ų | 105 | 122.5 Ų | 122.5 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | | | | -163.1 | 134.8 | 123.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 582 | S | 28.8 | Very low | 34.4 | Very low | 121 Ų | 121 | 123 Ų | 123 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | | | trans | -38.4 | 134.2 | 176.9 | -176.2 | 0 | 0 | 0 | 0 | 119.2 | | |
| 583 | A | 30.8 | Very low | 33.5 | Very low | 97 Ų | 97 | 124.4 Ų | 124.4 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | | | | 165.6 | 142.8 | 109.3 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 584 | G | 27.1 | Very low | 33.1 | Very low | 82 Ų | 82 | 129.3 Ų | 129.3 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | | | trans | 107.8 | 118.2 | 155 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 585 | C | 29.5 | Very low | 32.8 | Very low | 142 Ų | 142 | 130.1 Ų | 130.1 | 96% | 0.959 | 81% | 0.811 | S | S | * | * | | | trans | -71.3 | 153.2 | -176.8 | -48 | 0 | 0 | 0 | 0 | 115.4 | | |
| 586 | G | 28.9 | Very low | 32.4 | Very low | 74 Ų | 74 | 130.1 Ų | 130.1 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | | | trans | 169 | 64.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 587 | S | 32.5 | Very low | 32.2 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | | | trans | 14.3 | 134.3 | 153.9 | -48.6 | 0 | 0 | 0 | 0 | 123.2 | | |
| 588 | G | 30.9 | Very low | 32.1 | Very low | 57 Ų | 57 | 126.8 Ų | 126.8 | 59% | 0.588 | 81% | 0.813 | S | S | * | * | | | trans | 121.3 | 127.9 | 140.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 589 | P | 47.2 | Very low | 32.5 | Very low | 126 Ų | 126 | 125.1 Ų | 125.1 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -93.6 | 160.7 | 179.7 | 37 | -35.4 | 0 | 0 | 0 | 114.3 | | |
| 590 | G | 26.8 | Very low | 32.6 | Very low | 69 Ų | 69 | 128 Ų | 128 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | | | trans | -176.4 | 121.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 591 | S | 31.8 | Very low | 33 | Very low | 121 Ų | 121 | 127.3 Ų | 127.3 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | | | trans | 28.9 | 118.7 | 159.6 | 58.5 | 0 | 0 | 0 | 0 | 120.5 | | |
| 592 | V | 30.7 | Very low | 33.9 | Very low | 145 Ų | 145 | 127.5 Ų | 127.5 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | | | trans | -63.8 | 142.1 | 161.9 | 176.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 593 | Q | 31.2 | Very low | 34.8 | Very low | 177 Ų | 177 | 129 Ų | 129 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | | | trans | -115.6 | 128.2 | 165.9 | 179.8 | 176.6 | -4.1 | 0 | 0 | 108.6 | | |
| 594 | E | 38 | Very low | 35.6 | Very low | 183 Ų | 183 | 131.2 Ų | 131.2 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | | | trans | -66.1 | 133.7 | 177.6 | -67.7 | 172.7 | 108.9 | 0 | 0 | 111.2 | | |
| 595 | Q | 34.6 | Very low | 36.7 | Very low | 169 Ų | 169 | 134.5 Ų | 134.5 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | | | trans | -111.1 | 120.9 | 167.7 | -72.7 | -170.3 | -29.4 | 0 | 0 | 109.4 | N597 | Q595-N597 PolarHBondContact O-N 2.84Å; Q595-N597 VanDerWaalsContact O-N 3.12Å |
| 596 | H | 34.9 | Very low | 37.9 | Very low | 191 Ų | 191 | 134.4 Ų | 134.4 | 88% | 0.884 | 76% | 0.759 | S | S | * | * | | | trans | -73 | 97.6 | 170.6 | -83.9 | -87.6 | 0 | 0 | 0 | 110.2 | G598 | H596-G598 VanDerWaalsContact C-N 3.32Å; H596-G598 PolarHBondContact O-N 3.36Å; H596-G598 VanDerWaalsContact O-N 3.12Å |
| 597 | N | 32.8 | Very low | 39.1 | Very low | 147 Ų | 147 | 136 Ų | 136 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | | | trans | -78.6 | 85.7 | 160.5 | -76.5 | -6.5 | 0 | 0 | 0 | 109 | Q595 I599 | Q595-N597 PolarHBondContact O-N 2.84Å; Q595-N597 VanDerWaalsContact O-N 3.12Å; N597-I599 PolarHBondContact O-N 3.33Å |
| 598 | G | 31.2 | Very low | 39.6 | Very low | 75 Ų | 75 | 136 Ų | 136 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | | | trans | -72.8 | 114.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | H596 D600 | H596-G598 VanDerWaalsContact C-N 3.32Å; H596-G598 PolarHBondContact O-N 3.36Å; H596-G598 VanDerWaalsContact O-N 3.12Å; G598-D600 PolarHBondContact O-N 3.24Å |
| 599 | I | 41.6 | Very low | 40.3 | Very low | 134 Ų | 134 | 136.9 Ų | 136.9 | 69% | 0.687 | 74% | 0.742 | S | S | * | * | | | trans | -81 | 109.9 | 169.3 | -58.3 | 174.3 | 0 | 0 | 0 | 106.9 | N597 F601 | N597-I599 PolarHBondContact O-N 3.33Å; I599-F601 HydrophobicContact CB-CE2 4.18Å; I599-F601 HydrophobicContact CG2-CD2 3.89Å; I599-F601 HydrophobicContact CG2-CE2 3.57Å; I599-F601 HydrophobicContact CG2-CZ 4.12Å |
| 600 | D | 32.2 | Very low | 40.1 | Very low | 159 Ų | 159 | 135.9 Ų | 135.9 | 85% | 0.85 | 73% | 0.733 | S | S | * | * | | | trans | -78.9 | 130.4 | 171.6 | -155.6 | 2.3 | 0 | 0 | 0 | 108.9 | G598 | G598-D600 PolarHBondContact O-N 3.24Š|
| 601 | F | 42.2 | Very low | 40.5 | Very low | 172 Ų | 172 | 140 Ų | 140 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | | | trans | -109.5 | 96.3 | -176.1 | -90.5 | -86.1 | 0 | 0 | 0 | 109.2 | I599 F603 | I599-F601 HydrophobicContact CB-CE2 4.18Å; I599-F601 HydrophobicContact CG2-CD2 3.89Å; I599-F601 HydrophobicContact CG2-CE2 3.57Å; I599-F601 HydrophobicContact CG2-CZ 4.12Å; F601-F603 PolarHBondContact O-N 3.08Å |
| 602 | D | 48.3 | Very low | 40.8 | Very low | 109 Ų | 109 | 141.8 Ų | 141.8 | 58% | 0.583 | 73% | 0.732 | S | S | * | * | | | trans | -65.4 | 121.3 | 174.9 | -165 | -29.8 | 0 | 0 | 0 | 110.2 | E604 | D602-E604 VanDerWaalsContact C-N 3.34Å; D602-E604 PolarHBondContact OD1-N 3.49Å |
| 603 | F | 47.5 | Very low | 40.9 | Very low | 153 Ų | 153 | 141.2 Ų | 141.2 | 67% | 0.671 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -80.1 | -15.7 | -176 | -151.9 | -92.2 | 0 | 0 | 0 | 112.6 | F601 L607 | F601-F603 PolarHBondContact O-N 3.08Å; F603-L607 HydrophobicContact CD1-CD1 4.12Å; F603-L607 HydrophobicContact CE1-CD1 4.29Å; F603-L607 WeakPolarHBondContact O-CG 3.48Å |
| 604 | E | 48.2 | Very low | 41 | Very low | 143 Ų | 143 | 138.9 Ų | 138.9 | 67% | 0.668 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -82.3 | -31.1 | 178 | -61.2 | -154.8 | 164 | 0 | 0 | 112.5 | D602 F606 L607 N608 | D602-E604 VanDerWaalsContact C-N 3.34Å; D602-E604 PolarHBondContact OD1-N 3.49Å; E604-F606 PolarHBondContact O-N 3.27Å; E604-L607 PolarHBondContact O-N 3.11Å; E604-N608 PolarHBondContact O-N 3.11Å; E604-N608 VanDerWaalsContact O-N 3.09Å; E604-N608 PolarHBondContact O-ND2 3.19Å |
| 605 | E | 50.4 | Low | 40.6 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 71% | 0.706 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -61.6 | -45.2 | 175.2 | -173.5 | 172.1 | -154.8 | 0 | 0 | 111.5 | L607 N608 A609 | E605-L607 VanDerWaalsContact C-N 3.26Å; E605-L607 PolarHBondContact O-N 3.3Å; E605-N608 PolarHBondContact O-N 2.98Å; E605-A609 PolarHBondContact O-N 3.37Å |
| 606 | F | 53.8 | Low | 40.5 | Very low | 140 Ų | 140 | 135.7 Ų | 135.7 | 61% | 0.614 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -60.5 | -33.2 | 177.3 | -177.2 | -101.4 | 0 | 0 | 0 | 113.2 | E604 | E604-F606 PolarHBondContact O-N 3.27Å |
| 607 | L | 54.3 | Low | 40.4 | Very low | 108 Ų | 108 | 135.4 Ų | 135.4 | 57% | 0.565 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -79 | -30.2 | 178.7 | -67.6 | 176.4 | 0 | 0 | 0 | 112.7 | F603 E604 E605 | F603-L607 HydrophobicContact CD1-CD1 4.12Å; F603-L607 HydrophobicContact CE1-CD1 4.29Å; F603-L607 WeakPolarHBondContact O-CG 3.48Å; E604-L607 PolarHBondContact O-N 3.11Å; E605-L607 VanDerWaalsContact C-N 3.26Å; E605-L607 PolarHBondContact O-N 3.3Å |
| 608 | N | 43.5 | Very low | 40.6 | Very low | 126 Ų | 126 | 137.3 Ų | 137.3 | 67% | 0.674 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -71.9 | -30.5 | 172.7 | -72.6 | -55.5 | 0 | 0 | 0 | 112.3 | E604 E605 V610 | E604-N608 PolarHBondContact O-N 3.11Å; E604-N608 VanDerWaalsContact O-N 3.09Å; E604-N608 PolarHBondContact O-ND2 3.19Å; E605-N608 PolarHBondContact O-N 2.98Å; N608-V610 VanDerWaalsContact C-N 3.27Å; N608-V610 PolarHBondContact O-N 3.3Å |
| 609 | A | 46 | Very low | 40.8 | Very low | 77 Ų | 77 | 139 Ų | 139 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -67.5 | -21 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | E605 H611 | E605-A609 PolarHBondContact O-N 3.37Å; A609-H611 PolarHBondContact O-N 3.23Å |
| 610 | V | 41.8 | Very low | 40.6 | Very low | 105 Ų | 105 | 141.8 Ų | 141.8 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | | | trans | -99.2 | 53.2 | -177.3 | -167.8 | 0 | 0 | 0 | 0 | 111.3 | N608 | N608-V610 VanDerWaalsContact C-N 3.27Å; N608-V610 PolarHBondContact O-N 3.3Å |
| 611 | H | 36.5 | Very low | 40.6 | Very low | 154 Ų | 154 | 142.2 Ų | 142.2 | 71% | 0.713 | 73% | 0.727 | S | S | * | * | | | trans | -130.1 | 62.4 | 172.9 | -146.3 | 84.3 | 0 | 0 | 0 | 112.6 | A609 Q613 | A609-H611 PolarHBondContact O-N 3.23Å; H611-Q613 PolarHBondContact O-N 3.38Å |
| 612 | I | 36.9 | Very low | 40 | Very low | 159 Ų | 159 | 137.6 Ų | 137.6 | 82% | 0.815 | 73% | 0.728 | S | S | * | * | | | trans | -69.1 | 93.3 | 173.6 | -58.5 | 179.5 | 0 | 0 | 0 | 109.2 | T614 | I612-T614 PolarHBondContact O-N 3.37Š|
| 613 | Q | 33.3 | Very low | 39.1 | Very low | 133 Ų | 133 | 139.4 Ų | 139.4 | 62% | 0.621 | 74% | 0.742 | S | S | * | * | | | trans | -80.3 | 107.1 | 170.6 | -178.6 | 177.3 | -16.8 | 0 | 0 | 108.9 | H611 Q615 | H611-Q613 PolarHBondContact O-N 3.38Å; Q613-Q615 HydrophobicContact CG-CG 4.3Å; Q613-Q615 PolarHBondContact O-N 3.42Å |
| 614 | T | 32.5 | Very low | 38.4 | Very low | 129 Ų | 129 | 140 Ų | 140 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | | | trans | -71.2 | 89.4 | 175.6 | 52.9 | 0 | 0 | 0 | 0 | 110.6 | I612 | I612-T614 PolarHBondContact O-N 3.37Š|
| 615 | Q | 30.4 | Very low | 37.4 | Very low | 154 Ų | 154 | 137.1 Ų | 137.1 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | | | trans | -84.2 | 135 | 157.9 | -60.6 | -169.3 | 16.1 | 0 | 0 | 108.3 | Q613 | Q613-Q615 HydrophobicContact CG-CG 4.3Å; Q613-Q615 PolarHBondContact O-N 3.42Å |
| 616 | T | 32.6 | Very low | 36.4 | Very low | 130 Ų | 130 | 133 Ų | 133 | 80% | 0.798 | 76% | 0.758 | S | S | * | * | | | trans | -90.3 | 111.7 | 172 | 44.1 | 0 | 0 | 0 | 0 | 108.6 | | |
| 617 | E | 32.4 | Very low | 35.1 | Very low | 185 Ų | 185 | 134.2 Ų | 134.2 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | | | trans | -81.5 | 119.1 | 172.4 | 61.8 | -165.2 | 150.7 | 0 | 0 | 110.5 | S619 | E617-S619 PolarHBondContact O-N 2.8Š|
| 618 | E | 37.6 | Very low | 33.9 | Very low | 188 Ų | 188 | 135.4 Ų | 135.4 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | | | trans | -87.4 | 101.1 | 179.5 | 54 | -150.4 | 101.8 | 0 | 0 | 110.6 | | |
| 619 | S | 34.8 | Very low | 33.7 | Very low | 110 Ų | 110 | 134.4 Ų | 134.4 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | trans | -90.8 | 121.4 | 176.6 | -68.5 | 0 | 0 | 0 | 0 | 112 | E617 | E617-S619 PolarHBondContact O-N 2.8Š|
| 620 | E | 36.7 | Very low | 32.9 | Very low | 192 Ų | 192 | 139 Ų | 139 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | | | trans | -70.7 | 132.2 | 172.7 | -59 | -179 | 118.8 | 0 | 0 | 111.5 | | |
| 621 | L | 33.1 | Very low | 32.4 | Very low | 169 Ų | 169 | 137.2 Ų | 137.2 | 89% | 0.885 | 80% | 0.799 | S | S | * | * | | | trans | -156.1 | 105.3 | 156.3 | -116.9 | 166.4 | 0 | 0 | 0 | 110.1 | | |
| 622 | G | 29.9 | Very low | 32.2 | Very low | 75 Ų | 75 | 135.7 Ų | 135.7 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | | | trans | -77.6 | 141.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 623 | V | 29.1 | Very low | 31.9 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | | | trans | -122.5 | 143.2 | 168.3 | 179.3 | 0 | 0 | 0 | 0 | 109 | | |
| 624 | L | 33.1 | Very low | 31.7 | Very low | 166 Ų | 166 | 136.7 Ų | 136.7 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | | | trans | -93.5 | 138.9 | -167.5 | -64.2 | 163.5 | 0 | 0 | 0 | 112.8 | | |
| 625 | G | 26.6 | Very low | 31.6 | Very low | 81 Ų | 81 | 138.1 Ų | 138.1 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | | | | 65 | 119.9 | 129.7 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 626 | G | 28.8 | Very low | 31.7 | Very low | 66 Ų | 66 | 138.8 Ų | 138.8 | 68% | 0.68 | 82% | 0.82 | S | S | * | * | | | trans | 89.5 | 145.7 | 157.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 627 | D | 27.7 | Very low | 31.7 | Very low | 165 Ų | 165 | 138.5 Ų | 138.5 | 88% | 0.882 | 82% | 0.819 | S | S | * | * | | | cis | -151.4 | 145.6 | -13.2 | -94.1 | -46.7 | 0 | 0 | 0 | 109.8 | | |
| 628 | T | 28.1 | Very low | 31.5 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 82% | 0.816 | 81% | 0.811 | S | S | * | * | | | trans | -71.5 | 145.4 | 164.9 | 11.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 629 | P | 40.5 | Very low | 31.1 | Very low | 104 Ų | 104 | 134.5 Ų | 134.5 | 68% | 0.675 | 81% | 0.81 | S | S | * | * | | | | -156.1 | 165.8 | 74.5 | 42.1 | -23.3 | 0 | 0 | 0 | 118 | | |
| 630 | L | 29.5 | Very low | 30.6 | Very low | 175 Ų | 175 | 136 Ų | 136 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | | | trans | 65.5 | 153.6 | 159.2 | -64.8 | 156.1 | 0 | 0 | 0 | 117.1 | | |
| 631 | G | 30.4 | Very low | 30.3 | Very low | 67 Ų | 67 | 136.3 Ų | 136.3 | 69% | 0.691 | 81% | 0.808 | S | S | * | * | | | cis | -165.3 | 159.3 | -4.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 632 | S | 33.1 | Very low | 30.1 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | | | trans | -91.6 | 119.1 | -179.2 | -47.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 633 | L | 30.6 | Very low | 30 | Very low | 159 Ų | 159 | 140.1 Ų | 140.1 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | | | trans | -164.2 | 124.7 | 160.5 | -93.5 | 135.7 | 0 | 0 | 0 | 105.3 | | |
| 634 | D | 28.1 | Very low | 30 | Very low | 153 Ų | 153 | 140.3 Ų | 140.3 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | | 51.3 | 88.7 | 56.3 | -79.4 | -11.3 | 0 | 0 | 0 | 113.8 | | |
| 635 | I | 30.9 | Very low | 29.8 | Very low | 160 Ų | 160 | 139.9 Ų | 139.9 | 82% | 0.821 | 80% | 0.801 | S | S | * | * | | | trans | -133.6 | 127 | 148.1 | -55.6 | -178 | 0 | 0 | 0 | 108.8 | | |
| 636 | Q | 32.7 | Very low | 29.9 | Very low | 167 Ų | 167 | 143.4 Ų | 143.4 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | | | trans | -99.4 | 132.5 | 178.7 | 169.5 | -173.6 | -8.6 | 0 | 0 | 109.9 | | |
| 637 | T | 31.6 | Very low | 29.9 | Very low | 124 Ų | 124 | 147.2 Ų | 147.2 | 76% | 0.761 | 80% | 0.8 | S | S | * | * | | | trans | -136.3 | 92.1 | 168.2 | 54.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 638 | Q | 29.1 | Very low | 29.9 | Very low | 150 Ų | 150 | 144.8 Ų | 144.8 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | | | | 49.3 | 105.7 | 90.6 | -79.1 | -168.6 | -70.1 | 0 | 0 | 113.9 | | |
| 639 | T | 28 | Very low | 30.1 | Very low | 139 Ų | 139 | 146.1 Ų | 146.1 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | | | trans | -99.1 | 116 | 158.5 | 48.1 | 0 | 0 | 0 | 0 | 108.6 | | |
| 640 | D | 25.9 | Very low | 29.6 | Very low | 143 Ų | 143 | 146.1 Ų | 146.1 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | | | trans | -105.9 | 139.4 | 167.6 | -85.6 | -48.1 | 0 | 0 | 0 | 110.5 | | |
| 641 | F | 29.7 | Very low | 29.6 | Very low | 198 Ų | 198 | 147.1 Ų | 147.1 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | | | trans | -82.7 | 133.6 | 171.6 | -94.4 | -108.5 | 0 | 0 | 0 | 110.2 | | |
| 642 | L | 28.5 | Very low | 29.5 | Very low | 170 Ų | 170 | 147.7 Ų | 147.7 | 89% | 0.89 | 79% | 0.793 | S | S | * | * | | | trans | -145.8 | 150.7 | 144.7 | -85.3 | -170.5 | 0 | 0 | 0 | 111.4 | | |
| 643 | L | 28.6 | Very low | 29.4 | Very low | 154 Ų | 154 | 150.4 Ų | 150.4 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | | | trans | -82.5 | 150.3 | 173.3 | -59.3 | 87.4 | 0 | 0 | 0 | 110.3 | | |
| 644 | M | 28.4 | Very low | 29.2 | Very low | 150 Ų | 150 | 148.1 Ų | 148.1 | 74% | 0.739 | 79% | 0.789 | S | S | * | * | | | | -175.7 | 129.2 | 111.4 | -87.8 | -112.5 | 51.1 | 0 | 0 | 109.4 | E646 | M644-E646 HydrophobicContact CE-CB 4.29Š|
| 645 | D | 29.3 | Very low | 29.3 | Very low | 158 Ų | 158 | 151.4 Ų | 151.4 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | | | trans | -119.5 | 128.8 | 158.9 | -169.1 | 25.9 | 0 | 0 | 0 | 105.2 | | |
| 646 | E | 28.4 | Very low | 29.3 | Very low | 155 Ų | 155 | 148.2 Ų | 148.2 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | | | trans | -128.6 | 141.4 | -171 | -163.8 | 173.6 | 170.3 | 0 | 0 | 110.4 | M644 | M644-E646 HydrophobicContact CE-CB 4.29Š|
| 647 | L | 28.7 | Very low | 29.5 | Very low | 145 Ų | 145 | 149 Ų | 149 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | | | trans | -32.7 | 157 | -177.1 | -80.7 | 64.4 | 0 | 0 | 0 | 116.4 | | |
| 648 | D | 28.4 | Very low | 29.3 | Very low | 114 Ų | 114 | 147.1 Ų | 147.1 | 61% | 0.61 | 78% | 0.783 | S | S | * | * | | | cis | -168.7 | 170.8 | 39.6 | -147 | -8 | 0 | 0 | 0 | 116 | | |
| 649 | Q | 31.9 | Very low | 29.3 | Very low | 162 Ų | 162 | 145.6 Ų | 145.6 | 76% | 0.757 | 79% | 0.789 | S | S | * | * | | | trans | 65 | 142.3 | 154.1 | -74.9 | 159.7 | 64.1 | 0 | 0 | 119.3 | | |
| 650 | S | 30.7 | Very low | 29.4 | Very low | 103 Ų | 103 | 145.5 Ų | 145.5 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | | | cis | -153.7 | 148.8 | 0.9 | 51.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 651 | E | 28.5 | Very low | 29.8 | Very low | 196 Ų | 196 | 144.8 Ų | 144.8 | 92% | 0.916 | 78% | 0.778 | S | S | * | * | | | trans | 30.1 | 127.9 | 154.2 | -51.3 | -171.3 | 128.2 | 0 | 0 | 120.7 | | |
| 652 | G | 28.3 | Very low | 30.1 | Very low | 80 Ų | 80 | 142.5 Ų | 142.5 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | | | cis | 178 | -150.4 | 8.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 653 | Q | 30.1 | Very low | 30.6 | Very low | 179 Ų | 179 | 140.1 Ų | 140.1 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | | | cis | -167.3 | 127.9 | -5.1 | -169 | -166.9 | 111.3 | 0 | 0 | 111 | | |
| 654 | S | 26.9 | Very low | 30.7 | Very low | 111 Ų | 111 | 141.7 Ų | 141.7 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | | | trans | 71.1 | 154.2 | 166.7 | 97.7 | 0 | 0 | 0 | 0 | 117.6 | | |
| 655 | R | 31.1 | Very low | 30.9 | Very low | 221 Ų | 221 | 141.1 Ų | 141.1 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | | | cis | -164.6 | 136.8 | -4.1 | -165.8 | -171.4 | 168.4 | 160.6 | -4.3 | 111.7 | | |
| 656 | S | 30.9 | Very low | 30.9 | Very low | 93 Ų | 93 | 140.4 Ų | 140.4 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | | | trans | 58.7 | 149.1 | 154.3 | 54.2 | 0 | 0 | 0 | 0 | 120.8 | | |
| 657 | Q | 35.8 | Very low | 31.2 | Very low | 184 Ų | 184 | 139.9 Ų | 139.9 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | | | cis | -166.2 | 163.6 | -7.5 | -118.9 | 179.8 | -5.9 | 0 | 0 | 111.3 | | |
| 658 | A | 28.4 | Very low | 31.3 | Very low | 85 Ų | 85 | 137.9 Ų | 137.9 | 70% | 0.702 | 75% | 0.752 | S | S | * | * | | | trans | 63.1 | 122.9 | 157.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 659 | S | 28.9 | Very low | 31.4 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | | | | 85.2 | 139.6 | 51.8 | -70 | 0 | 0 | 0 | 0 | 113.5 | | |
| 660 | D | 30.3 | Very low | 31.4 | Very low | 137 Ų | 137 | 138.5 Ų | 138.5 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | | | cis | -171.3 | 178.7 | -14.3 | -160.1 | -9.2 | 0 | 0 | 0 | 108.4 | | |
| 661 | L | 33.5 | Very low | 31.1 | Very low | 127 Ų | 127 | 141.4 Ų | 141.4 | 67% | 0.665 | 77% | 0.767 | S | S | * | * | | | trans | 69.3 | 146.6 | 175.1 | -69.5 | 69.6 | 0 | 0 | 0 | 116 | | |
| 662 | E | 37.4 | Very low | 31.3 | Very low | 150 Ų | 150 | 138.8 Ų | 138.8 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | | | cis | -161.1 | 158.9 | -9.1 | -116.2 | 173.3 | -178 | 0 | 0 | 111.1 | | |
| 663 | L | 38.4 | Very low | 31.4 | Very low | 121 Ų | 121 | 141.6 Ų | 141.6 | 63% | 0.634 | 75% | 0.754 | S | S | * | * | | | trans | 36.6 | 126.7 | 143.5 | -59.9 | 165 | 0 | 0 | 0 | 119.7 | | |
| 664 | F | 31.2 | Very low | 31.3 | Very low | 187 Ų | 187 | 142.5 Ų | 142.5 | 82% | 0.82 | 76% | 0.756 | S | S | * | * | | | cis | -151.3 | 157.9 | 28.4 | -91.6 | -78.4 | 0 | 0 | 0 | 111.6 | | |
| 665 | D | 31.1 | Very low | 31.4 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | | | trans | -110.5 | 135.1 | 175 | -173 | 11.5 | 0 | 0 | 0 | 111.4 | | |
| 666 | T | 29.8 | Very low | 31.4 | Very low | 142 Ų | 142 | 141.4 Ų | 141.4 | 87% | 0.871 | 76% | 0.756 | S | S | * | * | | | trans | -149.8 | 114.5 | 165.2 | 47.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 667 | Q | 34.9 | Very low | 31.3 | Very low | 145 Ų | 145 | 144.1 Ų | 144.1 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | | | trans | -137.2 | 134.4 | -171.5 | 168.4 | 67 | -10.6 | 0 | 0 | 109 | | |
| 668 | T | 30.7 | Very low | 31 | Very low | 103 Ų | 103 | 141.8 Ų | 141.8 | 63% | 0.632 | 76% | 0.762 | S | S | * | * | | | trans | 61.5 | 163.1 | 169 | 53.8 | 0 | 0 | 0 | 0 | 117.3 | | |
| 669 | Q | 29.7 | Very low | 30.9 | Very low | 166 Ų | 166 | 140.9 Ų | 140.9 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | | | cis | -146.8 | 178.6 | -12.5 | -133.5 | 165.1 | -54.9 | 0 | 0 | 111.9 | | |
| 670 | T | 33.2 | Very low | 31 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | | | trans | -59.1 | 141.6 | 157.5 | 48.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 671 | D | 24.1 | Very low | 30.9 | Very low | 163 Ų | 163 | 138.6 Ų | 138.6 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | | | trans | -151.8 | 165 | 143.5 | -153.3 | 1.1 | 0 | 0 | 0 | 112.3 | | |
| 672 | L | 31.6 | Very low | 30.8 | Very low | 141 Ų | 141 | 141.2 Ų | 141.2 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | | | trans | -129.1 | 126.8 | -177.1 | -83.3 | 168.7 | 0 | 0 | 0 | 112.1 | | |
| 673 | N | 31 | Very low | 31.2 | Very low | 140 Ų | 140 | 138.9 Ų | 138.9 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | | | trans | 66 | 93.2 | 160.6 | -56.5 | -55.9 | 0 | 0 | 0 | 119.4 | | |
| 674 | F | 29.1 | Very low | 30.8 | Very low | 198 Ų | 198 | 141 Ų | 141 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | | | | -138.9 | 142.7 | 124.3 | -98.3 | -89.7 | 0 | 0 | 0 | 106.2 | | |
| 675 | L | 28.2 | Very low | 30.7 | Very low | 160 Ų | 160 | 136.7 Ų | 136.7 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | | | cis | -134.5 | 141 | 45.2 | -74 | 157 | 0 | 0 | 0 | 113.9 | | |
| 676 | L | 32 | Very low | 30.6 | Very low | 149 Ų | 149 | 136.5 Ų | 136.5 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | | | trans | -95.9 | 142.3 | 155.8 | -76.2 | 167.2 | 0 | 0 | 0 | 109.7 | | |
| 677 | N | 27.5 | Very low | 31 | Very low | 150 Ų | 150 | 137.2 Ų | 137.2 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | | | trans | 174.6 | 141.7 | 155.4 | -88.9 | -26.5 | 0 | 0 | 0 | 107.4 | | |
| 678 | T | 29.9 | Very low | 30.9 | Very low | 134 Ų | 134 | 136.2 Ų | 136.2 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | cis | -161.3 | 155.4 | 1.1 | 11.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 679 | G | 26.8 | Very low | 31 | Very low | 66 Ų | 66 | 140.7 Ų | 140.7 | 68% | 0.68 | 78% | 0.781 | S | S | * | * | | | trans | 130.2 | 102.1 | 148.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 680 | S | 29.7 | Very low | 31.1 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | | | trans | 40.3 | 126.1 | 140.4 | 60.9 | 0 | 0 | 0 | 0 | 122.4 | | |
| 681 | G | 29.7 | Very low | 30.8 | Very low | 79 Ų | 79 | 139.7 Ų | 139.7 | 81% | 0.814 | 78% | 0.778 | S | S | * | * | | | trans | 150.4 | 105.3 | 151.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 682 | M | 30.6 | Very low | 31.1 | Very low | 182 Ų | 182 | 137.1 Ų | 137.1 | 90% | 0.897 | 77% | 0.772 | S | S | * | * | | | trans | -84.4 | 176.4 | 162 | -73.9 | -77.8 | -172.1 | 0 | 0 | 110.1 | | |
| 683 | P | 45.5 | Very low | 31.1 | Very low | 102 Ų | 102 | 140.1 Ų | 140.1 | 66% | 0.662 | 78% | 0.78 | S | S | * | * | | | cis | -136 | 172.2 | -0.9 | 19.6 | 6.9 | 0 | 0 | 0 | 116.4 | | |
| 684 | L | 30.3 | Very low | 31 | Very low | 165 Ų | 165 | 139.6 Ų | 139.6 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | | | trans | 49.3 | 151.7 | 136.1 | -62.2 | 171.3 | 0 | 0 | 0 | 121.8 | | |
| 685 | S | 28.4 | Very low | 31.2 | Very low | 96 Ų | 96 | 137.6 Ų | 137.6 | 67% | 0.671 | 78% | 0.784 | S | S | * | * | | | cis | -165.7 | 161.2 | -2.6 | 42.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 686 | N | 29.6 | Very low | 31.3 | Very low | 134 Ų | 134 | 135.1 Ų | 135.1 | 72% | 0.717 | 78% | 0.78 | S | S | * | * | | | trans | 1.1 | 138.5 | 153 | -61.4 | -15.8 | 0 | 0 | 0 | 121 | | |
| 687 | I | 39.6 | Very low | 31.4 | Very low | 157 Ų | 157 | 134.2 Ų | 134.2 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | | | | -159.6 | 104.6 | 109.4 | -92.8 | 146.8 | 0 | 0 | 0 | 106 | | |
| 688 | L | 32.3 | Very low | 31.5 | Very low | 124 Ų | 124 | 135.2 Ų | 135.2 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | | | | 55.4 | 99.7 | 91.8 | -65.4 | 172.9 | 0 | 0 | 0 | 112.3 | | |
| 689 | R | 31.8 | Very low | 31.5 | Very low | 197 Ų | 197 | 133 Ų | 133 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | | | | 81.3 | 133.3 | 71.1 | -88.7 | -162.6 | 176.5 | -155.5 | 10.7 | 113.9 | | |
| 690 | H | 31.9 | Very low | 32.1 | Very low | 175 Ų | 175 | 134.5 Ų | 134.5 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | | | trans | 68.5 | 156.2 | 157.7 | -61 | -35.5 | 0 | 0 | 0 | 117 | | |
| 691 | S | 28 | Very low | 32.3 | Very low | 94 Ų | 94 | 135.3 Ų | 135.3 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | | | cis | -171 | 167 | -25.5 | -177.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 692 | S | 30 | Very low | 32.7 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | trans | 87 | 148.8 | 149.6 | -53.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 693 | F | 31.2 | Very low | 32.9 | Very low | 204 Ų | 204 | 137.1 Ų | 137.1 | 90% | 0.895 | 76% | 0.76 | S | S | * | * | | | trans | -82.9 | 158.8 | 180 | -64.2 | -112.6 | 0 | 0 | 0 | 111.9 | | |
| 694 | S | 29.4 | Very low | 32.3 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 91% | 0.909 | 76% | 0.761 | S | S | * | * | | | | -177 | 169.4 | 116.7 | -81 | 0 | 0 | 0 | 0 | 112.5 | | |
| 695 | I | 33.7 | Very low | 32.4 | Very low | 156 Ų | 156 | 137.5 Ų | 137.5 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | | | trans | -117.4 | 139.8 | -174.2 | -175 | 172.7 | 0 | 0 | 0 | 110.5 | | |
| 696 | S | 29 | Very low | 32.5 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | | | trans | 171 | 153.3 | 136 | -77.8 | 0 | 0 | 0 | 0 | 114.7 | | |
| 697 | T | 34 | Very low | 32.4 | Very low | 129 Ų | 129 | 138.7 Ų | 138.7 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | | | trans | -27.4 | 148.3 | 163.4 | 52.5 | 0 | 0 | 0 | 0 | 117.1 | | |
| 698 | E | 29.6 | Very low | 31.9 | Very low | 171 Ų | 171 | 138.5 Ų | 138.5 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | | | | -174.3 | 177.9 | 71.7 | 59.7 | 170 | 118.6 | 0 | 0 | 116.1 | | |
| 699 | S | 31.7 | Very low | 31.8 | Very low | 87 Ų | 87 | 136.6 Ų | 136.6 | 61% | 0.608 | 76% | 0.76 | S | S | * | * | | | trans | 21 | 154.5 | 149.8 | 69.3 | 0 | 0 | 0 | 0 | 123.6 | | |
| 700 | S | 37.6 | Very low | 31.6 | Very low | 99 Ų | 99 | 132.1 Ų | 132.1 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | | | cis | -169.6 | 162.7 | -19.8 | -93.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 701 | D | 35.6 | Very low | 31.5 | Very low | 144 Ų | 144 | 133.5 Ų | 133.5 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | | | trans | 59 | 124.6 | 154.2 | -56.9 | -39.7 | 0 | 0 | 0 | 124.3 | | |
| 702 | T | 36.8 | Very low | 31.4 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | | | | -179.8 | 132.4 | 107.2 | 24.7 | 0 | 0 | 0 | 0 | 114.8 | | |
| 703 | E | 35.9 | Very low | 31.3 | Very low | 168 Ų | 168 | 132.4 Ų | 132.4 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | 39 | 147.1 | 143.1 | -89 | -172.5 | 106.9 | 0 | 0 | 123.7 | | |
| 704 | T | 32.4 | Very low | 31 | Very low | 112 Ų | 112 | 126.1 Ų | 126.1 | 69% | 0.687 | 77% | 0.768 | S | S | * | * | | | cis | -146.2 | 161.6 | 21.4 | 46.6 | 0 | 0 | 0 | 0 | 114.8 | | |
| 705 | Q | 31.4 | Very low | 31.9 | Very low | 162 Ų | 162 | 125.7 Ų | 125.7 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | | | trans | 10.5 | 150.2 | 147.7 | -50.8 | 177.8 | 8.3 | 0 | 0 | 120.7 | | |
| 706 | T | 31.2 | Very low | 31.6 | Very low | 112 Ų | 112 | 123.3 Ų | 123.3 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | | | cis | -169.4 | 150.5 | 43.2 | -30.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 707 | D | 26.8 | Very low | 31.7 | Very low | 143 Ų | 143 | 122.7 Ų | 122.7 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | | | trans | 25.4 | 157.1 | 151.2 | -66.1 | -9.2 | 0 | 0 | 0 | 124.9 | | |
| 708 | L | 30.5 | Very low | 31.4 | Very low | 154 Ų | 154 | 125.4 Ų | 125.4 | 81% | 0.806 | 76% | 0.758 | S | S | * | * | | | cis | -176.2 | 144.1 | -25.7 | -174.7 | 71.2 | 0 | 0 | 0 | 108.8 | | |
| 709 | A | 29.6 | Very low | 31.2 | Very low | 83 Ų | 83 | 121 Ų | 121 | 69% | 0.686 | 75% | 0.751 | S | S | * | * | | | trans | 50.7 | 144.9 | 161.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 710 | S | 27.9 | Very low | 31 | Very low | 104 Ų | 104 | 125.8 Ų | 125.8 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | cis | 131.1 | 149 | -1.7 | -81.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 711 | F | 28.8 | Very low | 30.5 | Very low | 203 Ų | 203 | 127.5 Ų | 127.5 | 89% | 0.89 | 77% | 0.77 | S | S | * | * | | | trans | 88.3 | 112.3 | 161 | -69.3 | -68.3 | 0 | 0 | 0 | 123 | | |
| 712 | A | 26.4 | Very low | 30.1 | Very low | 101 Ų | 101 | 123.8 Ų | 123.8 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | | | | 85.9 | 149.9 | 120 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 713 | G | 27.7 | Very low | 29.6 | Very low | 79 Ų | 79 | 127.4 Ų | 127.4 | 81% | 0.814 | 77% | 0.773 | S | S | * | * | | | trans | 111.9 | 98.3 | 158.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 714 | G | 25.1 | Very low | 29.2 | Very low | 72 Ų | 72 | 123.3 Ų | 123.3 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | | | trans | -99.2 | -166.9 | 138.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 715 | P | 49.1 | Very low | 29.1 | Very low | 120 Ų | 120 | 126.1 Ų | 126.1 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | | | cis | -132 | -142.3 | 0.1 | 42.2 | -24.2 | 0 | 0 | 0 | 111.1 | | |
| 716 | S | 27.3 | Very low | 29.6 | Very low | 106 Ų | 106 | 124 Ų | 124 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | | | trans | 74.6 | 151.5 | 163.6 | 80.5 | 0 | 0 | 0 | 0 | 117.7 | | |
| 717 | S | 29.5 | Very low | 29.6 | Very low | 95 Ų | 95 | 122 Ų | 122 | 66% | 0.664 | 78% | 0.784 | S | S | * | * | | | cis | -169.4 | 153.3 | -22.2 | 46.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 718 | Q | 29.3 | Very low | 29.6 | Very low | 186 Ų | 186 | 125.6 Ų | 125.6 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | | | trans | 49.6 | 117.2 | 153.7 | -72.2 | 178.9 | -55.9 | 0 | 0 | 120.9 | | |
| 719 | A | 25 | Very low | 29.4 | Very low | 80 Ų | 80 | 124.6 Ų | 124.6 | 66% | 0.661 | 78% | 0.779 | S | S | * | * | | | | 35 | 131.2 | 126.9 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 720 | H | 27.4 | Very low | 29.5 | Very low | 186 Ų | 186 | 127.8 Ų | 127.8 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | | | | -164.2 | 169 | 90.9 | -110.3 | -80 | 0 | 0 | 0 | 114.2 | | |
| 721 | T | 27.6 | Very low | 29.4 | Very low | 135 Ų | 135 | 130.3 Ų | 130.3 | 83% | 0.828 | 79% | 0.789 | S | S | * | * | | | trans | -90 | 140.2 | -177.7 | 47.8 | 0 | 0 | 0 | 0 | 114 | | |
| 722 | G | 26.1 | Very low | 29.5 | Very low | 66 Ų | 66 | 126 Ų | 126 | 68% | 0.68 | 79% | 0.785 | S | S | * | * | | | trans | -175 | 110.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 723 | Q | 26.6 | Very low | 29.7 | Very low | 208 Ų | 208 | 126.7 Ų | 126.7 | 97% | 0.972 | 78% | 0.779 | S | S | * | * | | | | 68.6 | 109.1 | 86.2 | -78 | -95.3 | -55.3 | 0 | 0 | 112.9 | | |
| 724 | G | 27.1 | Very low | 29.8 | Very low | 82 Ų | 82 | 131.3 Ų | 131.3 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | | | trans | 172.7 | 38.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 725 | E | 31.5 | Very low | 30.1 | Very low | 171 Ų | 171 | 133.7 Ų | 133.7 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | | | trans | -69.7 | 157 | 151.1 | -98.8 | -84.1 | 120.5 | 0 | 0 | 108.5 | | |
| 726 | P | 41.3 | Very low | 29.2 | Very low | 118 Ų | 118 | 136.9 Ų | 136.9 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | | | cis | -138.9 | 165.6 | 28.6 | 40.4 | -22 | 0 | 0 | 0 | 118.3 | | |
| 727 | G | 31 | Very low | 29.3 | Very low | 70 Ų | 70 | 138 Ų | 138 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | | | trans | -146.7 | 83.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 728 | R | 25.9 | Very low | 29.3 | Very low | 219 Ų | 219 | 142.5 Ų | 142.5 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | | | trans | -87.4 | 139.1 | -166.5 | -165.3 | -155 | -176.6 | -153.7 | 2.2 | 115.5 | | |
| 729 | M | 27.1 | Very low | 29.2 | Very low | 132 Ų | 132 | 139.4 Ų | 139.4 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | | | trans | 69.3 | 146.9 | 166.6 | -74.4 | 162.1 | 66.3 | 0 | 0 | 116.2 | | |
| 730 | L | 31.4 | Very low | 29.4 | Very low | 151 Ų | 151 | 141.6 Ų | 141.6 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | | | cis | -145.6 | 172.9 | 43 | -82.3 | 166 | 0 | 0 | 0 | 114.7 | | |
| 731 | N | 26.7 | Very low | 29.6 | Very low | 156 Ų | 156 | 141 Ų | 141 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | | | trans | -97.6 | 146.9 | 177.7 | -63.7 | -12.8 | 0 | 0 | 0 | 113.8 | | |
| 732 | S | 31 | Very low | 29.8 | Very low | 114 Ų | 114 | 139.5 Ų | 139.5 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | | | trans | -168.3 | 125.6 | 145.3 | -82.8 | 0 | 0 | 0 | 0 | 106.6 | | |
| 733 | T | 30.8 | Very low | 30.1 | Very low | 115 Ų | 115 | 144.6 Ų | 144.6 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | | | | 90.5 | 115.2 | 50.3 | -59 | 0 | 0 | 0 | 0 | 112.5 | | |
| 734 | E | 29.8 | Very low | 30.2 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | 63 | 157.2 | 175.8 | -68.2 | 177 | 93.5 | 0 | 0 | 116.2 | | |
| 735 | T | 30 | Very low | 30.5 | Very low | 123 Ų | 123 | 143 Ų | 143 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | | | cis | -136.7 | 160.2 | 13.4 | -37.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 736 | Q | 31.2 | Very low | 30.4 | Very low | 187 Ų | 187 | 137.8 Ų | 137.8 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | | | trans | -84.1 | 135.2 | 168.2 | -65.2 | 178.9 | -6.3 | 0 | 0 | 112.3 | | |
| 737 | T | 29.3 | Very low | 30 | Very low | 128 Ų | 128 | 140.7 Ų | 140.7 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | | | trans | -154.3 | 128.7 | 151.1 | 5.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 738 | M | 28.4 | Very low | 30.1 | Very low | 191 Ų | 191 | 142.7 Ų | 142.7 | 94% | 0.941 | 79% | 0.792 | S | S | * | * | | | trans | -121.9 | 107.3 | 174.3 | -103.7 | -75.4 | 164.7 | 0 | 0 | 108.6 | | |
| 739 | T | 28.9 | Very low | 30.2 | Very low | 120 Ų | 120 | 140.6 Ų | 140.6 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | | | trans | -151.2 | 98.4 | -176.9 | 51.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 740 | S | 29.3 | Very low | 30.3 | Very low | 126 Ų | 126 | 142.3 Ų | 142.3 | 88% | 0.881 | 80% | 0.801 | S | S | * | * | | | trans | -175.1 | 122.8 | 138.4 | 51.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 741 | Q | 30.9 | Very low | 30.3 | Very low | 174 Ų | 174 | 141 Ų | 141 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | | | trans | -97.6 | 151.7 | 174.8 | -66.2 | 169.8 | -73.9 | 0 | 0 | 110.9 | | |
| 742 | A | 31.2 | Very low | 30.4 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | | | trans | -157.9 | 75.1 | 156.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 743 | E | 31.8 | Very low | 30.3 | Very low | 173 Ų | 173 | 141.6 Ų | 141.6 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | | | trans | -82.8 | 132.1 | 179.7 | -67 | 177.4 | 119.7 | 0 | 0 | 111.4 | | |
| 744 | G | 29.4 | Very low | 30.7 | Very low | 72 Ų | 72 | 143.8 Ų | 143.8 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | | | trans | -110.4 | 95.7 | -170 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 745 | L | 32.9 | Very low | 30.8 | Very low | 183 Ų | 183 | 141.4 Ų | 141.4 | 96% | 0.958 | 80% | 0.803 | S | S | * | * | | | trans | 58.8 | 135.9 | 153.2 | -61.7 | 169.7 | 0 | 0 | 0 | 119.7 | | |
| 746 | G | 29.3 | Very low | 31.3 | Very low | 63 Ų | 63 | 144 Ų | 144 | 65% | 0.649 | 81% | 0.806 | S | S | * | * | | | trans | -144.2 | 169.7 | 161.1 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 747 | H | 34.2 | Very low | 31.6 | Very low | 178 Ų | 178 | 140 Ų | 140 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | | | trans | 71.1 | 143.5 | 175.2 | -70.1 | -139.9 | 0 | 0 | 0 | 115.2 | | |
| 748 | L | 33.4 | Very low | 32 | Very low | 113 Ų | 113 | 140.1 Ų | 140.1 | 59% | 0.592 | 80% | 0.795 | S | S | * | * | | | cis | -159.8 | 168.1 | -5.9 | -118.7 | 172.8 | 0 | 0 | 0 | 111.9 | | |
| 749 | F | 26.9 | Very low | 32.3 | Very low | 175 Ų | 175 | 138 Ų | 138 | 77% | 0.768 | 79% | 0.785 | S | S | * | * | | | trans | 49.9 | 124.3 | 160.2 | -63.5 | -55.6 | 0 | 0 | 0 | 121.1 | | |
| 750 | L | 29.5 | Very low | 32.6 | Very low | 168 Ų | 168 | 138.5 Ų | 138.5 | 88% | 0.88 | 78% | 0.783 | S | S | * | * | | | | -146.4 | 155.6 | 125.6 | -113.2 | 170.9 | 0 | 0 | 0 | 109.9 | | |
| 751 | T | 30.6 | Very low | 33 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | | | trans | -88.5 | 131.9 | -161.6 | 50 | 0 | 0 | 0 | 0 | 113.9 | | |
| 752 | S | 30.5 | Very low | 33.3 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | | | trans | -66.4 | 127.3 | 161.8 | 51.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 753 | N | 28 | Very low | 33.8 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | | | trans | -124.5 | 135.6 | 165.7 | -159.4 | 2.9 | 0 | 0 | 0 | 108.8 | | |
| 754 | E | 39.6 | Very low | 34.2 | Very low | 161 Ų | 161 | 136.8 Ų | 136.8 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | | | trans | -102.8 | 121.8 | -160.5 | -175.5 | 172.8 | -159.4 | 0 | 0 | 111.6 | | |
| 755 | T | 31 | Very low | 34.7 | Very low | 126 Ų | 126 | 135.9 Ų | 135.9 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | | | trans | -129.3 | 89.8 | 172.5 | 46.5 | 0 | 0 | 0 | 0 | 110.5 | T757 | T755-T757 PolarHBondContact O-N 3.3Š|
| 756 | Q | 41.1 | Very low | 34.9 | Very low | 176 Ų | 176 | 133.2 Ų | 133.2 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | | | trans | -74.7 | 100.6 | -177.7 | -166 | 172.6 | 35.1 | 0 | 0 | 110.8 | | |
| 757 | T | 36.5 | Very low | 35.6 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 64% | 0.644 | 73% | 0.732 | S | S | * | * | | | trans | -97.4 | 116.4 | 178 | 42.1 | 0 | 0 | 0 | 0 | 111.1 | T755 M759 | T755-T757 PolarHBondContact O-N 3.3Å; T757-M759 PolarHBondContact O-N 3.43Å |
| 758 | V | 38.6 | Very low | 35.8 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 78% | 0.782 | 72% | 0.721 | S | S | * | * | | | trans | -68.7 | 111.9 | 178.6 | 177.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 759 | M | 34.9 | Very low | 36.1 | Very low | 147 Ų | 147 | 132.7 Ų | 132.7 | 72% | 0.724 | 72% | 0.718 | S | S | * | * | | | trans | -140.4 | 13.6 | 177.9 | -72.2 | -166.3 | -72.9 | 0 | 0 | 114.5 | T757 | T757-M759 PolarHBondContact O-N 3.43Š|
| 760 | D | 35 | Very low | 36.6 | Very low | 130 Ų | 130 | 129.4 Ų | 129.4 | 70% | 0.695 | 71% | 0.708 | S | S | * | * | | | trans | -88.9 | -26.1 | -170.2 | -143 | 42.5 | 0 | 0 | 0 | 114.3 | F762 | D760-F762 PolarHBondContact O-N 3.1Å; D760-F762 VanDerWaalsContact O-N 3.17Å |
| 761 | D | 37.8 | Very low | 37.1 | Very low | 135 Ų | 135 | 127.6 Ų | 127.6 | 72% | 0.722 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -63.7 | -23.1 | -178.1 | -76.6 | -32.7 | 0 | 0 | 0 | 114.2 | | |
| 762 | F | 36.7 | Very low | 37.4 | Very low | 188 Ų | 188 | 130.5 Ų | 130.5 | 83% | 0.825 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -79.4 | -21.8 | -170.7 | -130 | -86.1 | 0 | 0 | 0 | 114 | D760 | D760-F762 PolarHBondContact O-N 3.1Å; D760-F762 VanDerWaalsContact O-N 3.17Å |
| 763 | L | 41.5 | Very low | 37.5 | Very low | 131 Ų | 131 | 128.3 Ų | 128.3 | 69% | 0.686 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -93.5 | -28.4 | -178.6 | -63.8 | 177.8 | 0 | 0 | 0 | 112.8 | A765 | L763-A765 PolarHBondContact O-N 3.02Å |
| 764 | S | 41.8 | Very low | 38 | Very low | 87 Ų | 87 | 129.8 Ų | 129.8 | 61% | 0.608 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -66.1 | -21.1 | 176.6 | -64.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 765 | A | 38.6 | Very low | 37.6 | Very low | 54 Ų | 54 | 130.5 Ų | 130.5 | 45% | 0.446 | 69% | 0.689 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.8 | -46.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L763 L767 A768 | L763-A765 PolarHBondContact O-N 3.02Å; A765-L767 VanDerWaalsContact C-N 3.33Å; A765-L767 PolarHBondContact O-N 3.15Å; A765-A768 PolarHBondContact O-N 3.02Å |
| 766 | D | 37.6 | Very low | 38 | Very low | 126 Ų | 126 | 130.2 Ų | 130.2 | 67% | 0.674 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -70 | -27.7 | -171.4 | -98.3 | -15.6 | 0 | 0 | 0 | 113.3 | A768 | D766-A768 PolarHBondContact O-N 2.98Š|
| 767 | L | 44.7 | Very low | 37.6 | Very low | 131 Ų | 131 | 126.2 Ų | 126.2 | 69% | 0.686 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -67.1 | -23 | 178.9 | -126.6 | 73.2 | 0 | 0 | 0 | 113.4 | A765 | A765-L767 VanDerWaalsContact C-N 3.33Å; A765-L767 PolarHBondContact O-N 3.15Å |
| 768 | A | 37.1 | Very low | 37.8 | Very low | 72 Ų | 72 | 127.6 Ų | 127.6 | 60% | 0.595 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -87.1 | -15.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | A765 D766 | A765-A768 PolarHBondContact O-N 3.02Å; D766-A768 PolarHBondContact O-N 2.98Å |
| 769 | W | 41 | Very low | 37.7 | Very low | 141 Ų | 141 | 129.9 Ų | 129.9 | 53% | 0.534 | 69% | 0.694 | S | S | . | * | S | Bend | trans | -113.5 | 35.4 | -169.7 | -65.7 | 89.4 | 0 | 0 | 0 | 114.1 | K147 | K147-W769 PolarHBondContact NZ-O 2.66Š|
| 770 | N | 37.7 | Very low | 37.7 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 56% | 0.561 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -136.6 | 24.2 | 177.6 | -158.1 | 66 | 0 | 0 | 0 | 113.9 | | |
| 771 | M | 38.9 | Very low | 37.9 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 64% | 0.64 | 71% | 0.706 | S | S | * | * | | | trans | -129.7 | 52.2 | 178.7 | -72.3 | -68.6 | 150.3 | 0 | 0 | 111.2 | | |
| 772 | E | 36.7 | Very low | 38.1 | Very low | 183 Ų | 183 | 130.9 Ų | 130.9 | 86% | 0.855 | 71% | 0.705 | S | S | * | * | | | trans | -100.8 | 108.5 | 162.5 | -161.9 | 66.1 | -94.9 | 0 | 0 | 107.5 | | |
| 773 | S | 33.2 | Very low | 38.1 | Very low | 80 Ų | 80 | 126.5 Ų | 126.5 | 56% | 0.559 | 70% | 0.696 | S | S | * | * | | | trans | -89.4 | 141.5 | -174.5 | -169 | 0 | 0 | 0 | 0 | 110.6 | F775 | S773-F775 VanDerWaalsContact C-N 3.25Å; S773-F775 PolarHBondContact O-N 2.87Å; S773-F775 WeakPolarHBondContact OG-CD2 3.38Å |
| 774 | H | 38.8 | Very low | 37.9 | Very low | 189 Ų | 189 | 129.1 Ų | 129.1 | 88% | 0.875 | 71% | 0.705 | S | S | * | * | | | trans | -73.8 | 76.8 | 174.4 | -77.1 | -77.2 | 0 | 0 | 0 | 111.4 | | |
| 775 | F | 29.8 | Very low | 37.8 | Very low | 175 Ų | 175 | 133.4 Ų | 133.4 | 77% | 0.768 | 72% | 0.716 | S | S | * | * | | | trans | -111.5 | 122.9 | 165.2 | -82.3 | -74 | 0 | 0 | 0 | 111.2 | S773 S777 | S773-F775 VanDerWaalsContact C-N 3.25Å; S773-F775 PolarHBondContact O-N 2.87Å; S773-F775 WeakPolarHBondContact OG-CD2 3.38Å; F775-S777 PolarHBondContact O-N 3.41Å; F775-S777 VanDerWaalsContact O-N 3.11Å |
| 776 | S | 39.4 | Very low | 37.8 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 84% | 0.839 | 72% | 0.723 | S | S | * | * | | | trans | -78.5 | 84.7 | 174.5 | 168.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 777 | S | 33.8 | Very low | 37.8 | Very low | 93 Ų | 93 | 135.1 Ų | 135.1 | 65% | 0.65 | 72% | 0.724 | S | S | * | * | | | trans | -83.9 | 116.6 | 169.1 | -66.5 | 0 | 0 | 0 | 0 | 110.8 | F775 E779 | F775-S777 PolarHBondContact O-N 3.41Å; F775-S777 VanDerWaalsContact O-N 3.11Å; S777-E779 PolarHBondContact O-N 2.91Å |
| 778 | V | 40.9 | Very low | 37.5 | Very low | 134 Ų | 134 | 133.1 Ų | 133.1 | 81% | 0.812 | 73% | 0.726 | S | S | * | * | | | trans | -80.8 | 96.8 | 164.4 | 176.7 | 0 | 0 | 0 | 0 | 107.2 | | |
| 779 | E | 36.8 | Very low | 37.6 | Very low | 177 Ų | 177 | 136.1 Ų | 136.1 | 83% | 0.827 | 73% | 0.732 | S | S | * | * | | | trans | -86.5 | 134.9 | 176.4 | -66.5 | -166.2 | 129.4 | 0 | 0 | 111.4 | S777 | S777-E779 PolarHBondContact O-N 2.91Š|
| 780 | T | 33.8 | Very low | 37.5 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | | | trans | -83.7 | 124.6 | -169.6 | 47.3 | 0 | 0 | 0 | 0 | 112.3 | T782 | T780-T782 PolarHBondContact O-N 2.89Š|
| 781 | Q | 39.7 | Very low | 37.5 | Very low | 198 Ų | 198 | 141.2 Ų | 141.2 | 93% | 0.925 | 76% | 0.755 | S | S | * | * | | | trans | -70.2 | 88.3 | 178.5 | -175.2 | -175 | 0.1 | 0 | 0 | 112.5 | | |
| 782 | T | 41.5 | Very low | 37.3 | Very low | 115 Ų | 115 | 144.6 Ų | 144.6 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | | | trans | -152.1 | 154.1 | 168.7 | 40.4 | 0 | 0 | 0 | 0 | 111.7 | T780 | T780-T782 PolarHBondContact O-N 2.89Š|
| 783 | C | 37.3 | Very low | 37.1 | Very low | 95 Ų | 95 | 141.4 Ų | 141.4 | 64% | 0.642 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 83.9 | 36.6 | 164.9 | -57.9 | 0 | 0 | 0 | 0 | 120.3 | | |
| 784 | E | 37.2 | Very low | 37 | Very low | 187 Ų | 187 | 145.8 Ų | 145.8 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -101.4 | -28.7 | 151.3 | -113.5 | -179.4 | 163.8 | 0 | 0 | 112.9 | L786 | E784-L786 VanDerWaalsContact C-N 3.32Å; E784-L786 PolarHBondContact O-N 2.95Å |
| 785 | E | 40.1 | Very low | 37 | Very low | 176 Ų | 176 | 146 Ų | 146 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -14.4 | -176.8 | -110.2 | 178.6 | 158.1 | 0 | 0 | 115.5 | | |
| 786 | L | 38.4 | Very low | 37.8 | Very low | 113 Ų | 113 | 143.6 Ų | 143.6 | 59% | 0.592 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -15.8 | -174.2 | -75.6 | 171.2 | 0 | 0 | 0 | 114.7 | E784 | E784-L786 VanDerWaalsContact C-N 3.32Å; E784-L786 PolarHBondContact O-N 2.95Å |
| 787 | C | 37.8 | Very low | 37.7 | Very low | 104 Ų | 104 | 146 Ų | 146 | 70% | 0.703 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -80.9 | -20.2 | 177.4 | -69.4 | 0 | 0 | 0 | 0 | 113.3 | L789 | C787-L789 VanDerWaalsContact C-N 3.28Å; C787-L789 PolarHBondContact O-N 2.92Å |
| 788 | A | 38.4 | Very low | 37.7 | Very low | 89 Ų | 89 | 150.5 Ų | 150.5 | 74% | 0.736 | 82% | 0.819 | S | S | * | * | G | 310 helix | trans | -73.8 | -14.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 789 | L | 38.7 | Very low | 37.6 | Very low | 135 Ų | 135 | 151.3 Ų | 151.3 | 71% | 0.707 | 82% | 0.82 | S | S | * | * | G | 310 helix | trans | -93.2 | -3.2 | -173.7 | -84.4 | 164 | 0 | 0 | 0 | 115.3 | C787 | C787-L789 VanDerWaalsContact C-N 3.28Å; C787-L789 PolarHBondContact O-N 2.92Å |
| 790 | F | 38 | Very low | 37.6 | Very low | 187 Ų | 187 | 149.9 Ų | 149.9 | 82% | 0.82 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -120.9 | 14.2 | -174.1 | -80.4 | -75.9 | 0 | 0 | 0 | 115.3 | | |
| 791 | Q | 37.8 | Very low | 37.8 | Very low | 166 Ų | 166 | 151.6 Ų | 151.6 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -130.6 | 54.8 | 177.2 | -66 | -167.6 | 6.9 | 0 | 0 | 114 | | |
| 792 | H | 34.8 | Very low | 37.7 | Very low | 200 Ų | 200 | 148.9 Ų | 148.9 | 93% | 0.926 | 82% | 0.818 | S | S | * | * | | | trans | -163.8 | 98.1 | 156 | -92.4 | -50.8 | 0 | 0 | 0 | 111.7 | | |
| 793 | S | 32 | Very low | 37.5 | Very low | 117 Ų | 117 | 151 Ų | 151 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | | | trans | -155.4 | 35.5 | 167.9 | 74.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 794 | D | 31.5 | Very low | 37.5 | Very low | 172 Ų | 172 | 154.7 Ų | 154.7 | 92% | 0.92 | 84% | 0.837 | S | S | * | * | | | trans | -74.8 | 126.7 | 163 | -77 | -51.8 | 0 | 0 | 0 | 109.9 | | |
| 795 | K | 39.8 | Very low | 37.5 | Very low | 194 Ų | 194 | 152.4 Ų | 152.4 | 84% | 0.843 | 84% | 0.835 | S | S | * | * | | | trans | -108.8 | 146.4 | 173.3 | -86.2 | -176.7 | 174.9 | 177.3 | 0 | 110.4 | | |
| 796 | P | 46.5 | Very low | 37.3 | Very low | 124 Ų | 124 | 150.6 Ų | 150.6 | 81% | 0.805 | 84% | 0.836 | S | S | * | * | | | trans | -72.5 | 162.2 | 174.5 | 32.1 | -35.8 | 0 | 0 | 0 | 112.5 | | |
| 797 | N | 36.6 | Very low | 37.2 | Very low | 169 Ų | 169 | 153.8 Ų | 153.8 | 90% | 0.904 | 86% | 0.856 | S | S | * | * | | | trans | -46.6 | 145.6 | -177.7 | -61.3 | -26.1 | 0 | 0 | 0 | 115.9 | | |
| 798 | S | 34.5 | Very low | 37.1 | Very low | 188 Ų | 188 | 158.3 Ų | 158.3 | 100% | 1.315 | 87% | 0.87 | S | S | * | * | | | trans | -149 | 0 | 135.1 | -175.7 | 0 | 0 | 0 | 0 | 110.2 | | |