| 1 | M | 43.3 | Very low | 41.8 | Very low | 224 Ų | 224 | 143.5 Ų | 143.5 | 100% | 1.103 | 79% | 0.792 | S | S | * | * | | | | 0 | 83.1 | 0 | -69.6 | -58 | -169.6 | 0 | 0 | 105.5 | | |
| 2 | D | 41.3 | Very low | 41.5 | Very low | 167 Ų | 167 | 138.8 Ų | 138.8 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | | | trans | -99.3 | 147.2 | -144 | -61.9 | -104.4 | 0 | 0 | 0 | 112.1 | | |
| 3 | E | 47.9 | Very low | 40.9 | Very low | 175 Ų | 175 | 141.5 Ų | 141.5 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -112.2 | 179.2 | -167.2 | -165.4 | 169.5 | 80.9 | 0 | 0 | 109.5 | | |
| 4 | E | 41.9 | Very low | 40.6 | Very low | 140 Ų | 140 | 143.3 Ų | 143.3 | 65% | 0.654 | 79% | 0.788 | S | S | * | * | | | trans | 67.8 | 159.4 | 168.7 | -72.3 | -145.4 | 4.1 | 0 | 0 | 117.1 | | |
| 5 | R | 44.7 | Very low | 41.4 | Very low | 195 Ų | 195 | 140.2 Ų | 140.2 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | | | cis | -165.4 | 156.9 | -24.7 | 170.9 | 170.5 | -177.6 | 172.4 | 2 | 112.4 | | |
| 6 | S | 43.1 | Very low | 41.2 | Very low | 104 Ų | 104 | 139.6 Ų | 139.6 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | trans | -34.9 | 142.8 | 165.9 | -152.4 | 0 | 0 | 0 | 0 | 118.6 | | |
| 7 | A | 43.5 | Very low | 40.9 | Very low | 83 Ų | 83 | 138.3 Ų | 138.3 | 69% | 0.686 | 76% | 0.764 | S | S | * | * | | | trans | 56.3 | 134.8 | 137.5 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 8 | T | 40.5 | Very low | 40.7 | Very low | 148 Ų | 148 | 140.2 Ų | 140.2 | 91% | 0.908 | 77% | 0.766 | S | S | * | * | | | trans | -129.3 | 145.4 | 148.7 | -53.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 9 | T | 37.1 | Very low | 40.7 | Very low | 107 Ų | 107 | 140.7 Ų | 140.7 | 66% | 0.656 | 77% | 0.768 | S | S | * | * | | | trans | -127.8 | 163.5 | -169.9 | 53.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 10 | T | 38.3 | Very low | 41.2 | Very low | 133 Ų | 133 | 138.9 Ų | 138.9 | 82% | 0.816 | 76% | 0.763 | S | S | * | * | | | trans | 63.7 | 157.8 | 157.6 | 41.9 | 0 | 0 | 0 | 0 | 116.7 | | |
| 11 | S | 38.5 | Very low | 40.9 | Very low | 102 Ų | 102 | 139.4 Ų | 139.4 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | | | cis | -135.9 | 161.9 | 8.3 | -94.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 12 | A | 38.6 | Very low | 40.8 | Very low | 88 Ų | 88 | 136 Ų | 136 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | | | | 62.2 | 135.9 | 59 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 13 | E | 33.2 | Very low | 41.1 | Very low | 174 Ų | 174 | 134.3 Ų | 134.3 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | | | cis | -171.3 | 136.7 | 2.1 | 167.5 | 175 | 100.3 | 0 | 0 | 110.7 | | |
| 14 | Q | 36.7 | Very low | 40.6 | Very low | 166 Ų | 166 | 130.4 Ų | 130.4 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | | | trans | 37.6 | -169.8 | 153.9 | -111.5 | -175.6 | -76.1 | 0 | 0 | 120.8 | | |
| 15 | P | 52.1 | Low | 40.9 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 63% | 0.63 | 75% | 0.751 | S | S | * | * | | | cis | -129.9 | 179.6 | -26.3 | 39.1 | -21 | 0 | 0 | 0 | 115.7 | | |
| 16 | D | 38.2 | Very low | 40.5 | Very low | 130 Ų | 130 | 125.8 Ų | 125.8 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | | | trans | 43.4 | 154.3 | 134.8 | -71.9 | -124.5 | 0 | 0 | 0 | 124 | | |
| 17 | N | 36.8 | Very low | 40 | Very low | 118 Ų | 118 | 127 Ų | 127 | 63% | 0.631 | 77% | 0.765 | S | S | * | * | | | cis | -169 | 163.1 | -14.3 | -177.8 | 29.6 | 0 | 0 | 0 | 111.2 | | |
| 18 | E | 37.2 | Very low | 39.8 | Very low | 172 Ų | 172 | 134.5 Ų | 134.5 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | trans | 63.9 | 165.2 | 152 | -100.1 | 169.4 | 76.9 | 0 | 0 | 124.9 | | |
| 19 | N | 40.7 | Very low | 39.5 | Very low | 151 Ų | 151 | 134 Ų | 134 | 81% | 0.807 | 77% | 0.772 | S | S | * | * | | | trans | -92.1 | -168.7 | -176.1 | -125.9 | -28.2 | 0 | 0 | 0 | 109.7 | | |
| 20 | P | 50.1 | Low | 39.5 | Very low | 103 Ų | 103 | 137.3 Ų | 137.3 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | | | cis | -148.9 | -176.7 | 24.7 | 43.2 | -20.8 | 0 | 0 | 0 | 118.9 | | |
| 21 | D | 34.5 | Very low | 39.4 | Very low | 151 Ų | 151 | 136.9 Ų | 136.9 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | | | trans | 75.7 | 157.1 | 139.9 | -104.9 | -66.7 | 0 | 0 | 0 | 125.5 | | |
| 22 | L | 41.7 | Very low | 39.6 | Very low | 153 Ų | 153 | 141.1 Ų | 141.1 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | | | trans | -101.4 | 162.8 | 175.8 | -70.2 | 166.8 | 0 | 0 | 0 | 110.8 | | |
| 23 | P | 48.6 | Very low | 39.5 | Very low | 131 Ų | 131 | 144.5 Ų | 144.5 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | | | | -152.1 | 173 | 105.9 | 38 | -21.1 | 0 | 0 | 0 | 115.9 | | |
| 24 | A | 37.7 | Very low | 39.8 | Very low | 92 Ų | 92 | 141.2 Ų | 141.2 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | | | trans | -117.5 | 155.4 | 158.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 25 | P | 46.6 | Very low | 39.7 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | | | | -156.5 | 160.7 | 88.8 | 40.2 | -20.8 | 0 | 0 | 0 | 118.7 | | |
| 26 | S | 36.2 | Very low | 38.9 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | | | trans | 37.8 | 122.2 | 138.9 | -54.1 | 0 | 0 | 0 | 0 | 123.8 | | |
| 27 | S | 33.9 | Very low | 39.3 | Very low | 129 Ų | 129 | 140 Ų | 140 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | | | trans | -159.8 | 166 | 130 | 51.9 | 0 | 0 | 0 | 0 | 112 | | |
| 28 | R | 38.5 | Very low | 39.5 | Very low | 242 Ų | 242 | 140.3 Ų | 140.3 | 91% | 0.913 | 82% | 0.818 | S | S | * | * | | | trans | -111.3 | 149.8 | -170.5 | -59.7 | 169.1 | 166 | -164.1 | -3.6 | 113.1 | | |
| 29 | T | 34.1 | Very low | 39.7 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 84% | 0.84 | 82% | 0.816 | S | S | * | * | | | | -154 | 166.7 | 129.6 | -16.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 30 | E | 38.2 | Very low | 40 | Very low | 176 Ų | 176 | 135 Ų | 135 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | | | trans | -82.2 | 154.4 | -172.2 | -60.4 | 119.6 | 111.5 | 0 | 0 | 116.3 | | |
| 31 | S | 35.2 | Very low | 39.5 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 87% | 0.867 | 83% | 0.825 | S | S | * | * | | | trans | -154.4 | 134.6 | 139.4 | -163.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 32 | E | 41.9 | Very low | 40.1 | Very low | 192 Ų | 192 | 138.6 Ų | 138.6 | 90% | 0.897 | 83% | 0.826 | S | S | * | * | | | trans | -89.3 | 129.1 | -175.9 | -63.9 | 170 | 90.4 | 0 | 0 | 112 | | |
| 33 | N | 36.6 | Very low | 39.8 | Very low | 159 Ų | 159 | 134.9 Ų | 134.9 | 85% | 0.85 | 83% | 0.825 | S | S | * | * | | | trans | -154.6 | 144.6 | 138.7 | -153.6 | -3.6 | 0 | 0 | 0 | 111.3 | | |
| 34 | S | 40.7 | Very low | 39.5 | Very low | 105 Ų | 105 | 138.2 Ų | 138.2 | 73% | 0.734 | 83% | 0.829 | S | S | * | * | | | trans | -79.1 | 141.6 | -170.8 | -62.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 35 | S | 33.5 | Very low | 39.7 | Very low | 124 Ų | 124 | 141.4 Ų | 141.4 | 87% | 0.867 | 83% | 0.833 | S | S | * | * | | | trans | -152.9 | 106.3 | 167.1 | -76 | 0 | 0 | 0 | 0 | 110.1 | | |
| 36 | T | 36.6 | Very low | 39.9 | Very low | 143 Ų | 143 | 143.6 Ų | 143.6 | 88% | 0.877 | 83% | 0.834 | S | S | * | * | | | trans | -88.1 | 122.7 | -178.9 | -56.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 37 | S | 45.9 | Very low | 40.1 | Very low | 100 Ų | 100 | 143.6 Ų | 143.6 | 70% | 0.699 | 83% | 0.828 | S | S | * | * | | | trans | -88 | 150.4 | 173.5 | 178.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 38 | P | 41.4 | Very low | 40.8 | Very low | 125 Ų | 125 | 147.3 Ų | 147.3 | 81% | 0.812 | 82% | 0.824 | S | S | * | * | | | trans | -129.7 | 156.7 | 140.9 | 37.7 | -28.1 | 0 | 0 | 0 | 113.7 | | |
| 39 | A | 40.6 | Very low | 41 | Very low | 90 Ų | 90 | 140.9 Ų | 140.9 | 74% | 0.744 | 81% | 0.811 | S | S | * | * | | | trans | -156.6 | 169.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 40 | P | 47.7 | Very low | 41.3 | Very low | 121 Ų | 121 | 143.4 Ų | 143.4 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | | | cis | -122.2 | -175.7 | -13.5 | 38.3 | -22.5 | 0 | 0 | 0 | 112.9 | | |
| 41 | F | 40.6 | Very low | 41.8 | Very low | 200 Ų | 200 | 140.8 Ų | 140.8 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | | | trans | -67.6 | 160 | 165.7 | -59.7 | -90 | 0 | 0 | 0 | 111.7 | | |
| 42 | P | 46.4 | Very low | 42.5 | Very low | 130 Ų | 130 | 142 Ų | 142 | 84% | 0.844 | 80% | 0.795 | S | S | * | * | | | | -148.8 | 166.3 | 93.8 | 40.5 | -25.5 | 0 | 0 | 0 | 116 | | |
| 43 | G | 35.1 | Very low | 42.5 | Very low | 75 Ų | 75 | 137.6 Ų | 137.6 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | | | trans | 102.6 | 103.3 | 155.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 44 | E | 41.9 | Very low | 42.7 | Very low | 200 Ų | 200 | 138.7 Ų | 138.7 | 94% | 0.935 | 79% | 0.788 | S | S | * | * | | | trans | -111.7 | 98.9 | 166.7 | 60.2 | -154.8 | 117.8 | 0 | 0 | 109.6 | | |
| 45 | D | 41.6 | Very low | 42.9 | Very low | 160 Ų | 160 | 141 Ų | 141 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | | | trans | -98.7 | 130 | 167.1 | -93.1 | -59.3 | 0 | 0 | 0 | 108.5 | V47 | D45-V47 PolarHBondContact O-N 3.31Š|
| 46 | E | 51.6 | Low | 43.3 | Very low | 163 Ų | 163 | 143 Ų | 143 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | | | trans | -68.2 | 128 | 178.5 | -78.5 | -163.1 | 99.5 | 0 | 0 | 112.2 | Y48 | E46-Y48 WeakPolarHBondContact OE1-CD2 3.36Å; E46-Y48 WeakPolarHBondContact OE1-CE2 3.32Å |
| 47 | V | 41.2 | Very low | 43.6 | Very low | 120 Ų | 120 | 147 Ų | 147 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | trans | -129.6 | 87.1 | 161.9 | -174.3 | 0 | 0 | 0 | 0 | 109.2 | D45 T49 | D45-V47 PolarHBondContact O-N 3.31Å; V47-T49 PolarHBondContact O-N 3.46Å; V47-T49 PolarHBondContact O-OG1 3.39Å |
| 48 | Y | 47.1 | Very low | 43.3 | Very low | 208 Ų | 208 | 148.6 Ų | 148.6 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | | | trans | -61.4 | 93.7 | 173.6 | -115.4 | -90.6 | 0 | 0 | 0 | 110.5 | E46 Y50 | E46-Y48 WeakPolarHBondContact OE1-CD2 3.36Å; E46-Y48 WeakPolarHBondContact OE1-CE2 3.32Å; Y48-Y50 PolarHBondContact O-N 2.98Å; Y48-Y50 VanDerWaalsContact O-N 3.13Å |
| 49 | T | 43.2 | Very low | 43.3 | Very low | 106 Ų | 106 | 150.5 Ų | 150.5 | 65% | 0.65 | 80% | 0.798 | S | S | * | * | | | trans | -87.3 | 81.8 | 179.7 | -55.4 | 0 | 0 | 0 | 0 | 109.5 | V47 T51 | V47-T49 PolarHBondContact O-N 3.46Å; V47-T49 PolarHBondContact O-OG1 3.39Å; T49-T51 PolarHBondContact O-N 2.9Å; T49-T51 VanDerWaalsContact O-N 3.12Å; T49-T51 PolarHBondContact O-OG1 3.03Å |
| 50 | Y | 40.7 | Very low | 43.3 | Very low | 191 Ų | 191 | 149.5 Ų | 149.5 | 75% | 0.749 | 80% | 0.797 | S | S | * | * | | | trans | -55.6 | 116.2 | 171.4 | -179.6 | -93.9 | 0 | 0 | 0 | 109.7 | Y48 E52 | Y48-Y50 PolarHBondContact O-N 2.98Å; Y48-Y50 VanDerWaalsContact O-N 3.13Å; Y50-E52 HydrophobicContact CD1-CG 4.42Å; Y50-E52 HydrophobicContact CE1-CG 3.91Å |
| 51 | T | 47.7 | Very low | 43.3 | Very low | 120 Ų | 120 | 150.4 Ų | 150.4 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | | | trans | -99.9 | 106 | -176.8 | -58.9 | 0 | 0 | 0 | 0 | 108.8 | T49 | T49-T51 PolarHBondContact O-N 2.9Å; T49-T51 VanDerWaalsContact O-N 3.12Å; T49-T51 PolarHBondContact O-OG1 3.03Å |
| 52 | E | 50.3 | Low | 43.2 | Very low | 150 Ų | 150 | 146.9 Ų | 146.9 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | | | trans | -59.9 | 140.5 | 177.5 | -92.5 | -163.1 | 139 | 0 | 0 | 112.1 | Y50 L54 | Y50-E52 HydrophobicContact CD1-CG 4.42Å; Y50-E52 HydrophobicContact CE1-CG 3.91Å; E52-L54 PolarHBondContact O-N 3.1Å |
| 53 | P | 41.9 | Very low | 42.8 | Very low | 100 Ų | 100 | 150.4 Ų | 150.4 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | | | trans | -67.2 | 127.8 | 166.5 | 29.1 | -33 | 0 | 0 | 0 | 110 | I55 | P53-I55 PolarHBondContact O-N 3.27Š|
| 54 | L | 40.1 | Very low | 42.8 | Very low | 181 Ų | 181 | 157.7 Ų | 157.7 | 95% | 0.948 | 80% | 0.804 | S | S | * | * | | | trans | -69.4 | 88.7 | -174.1 | -68.7 | 172.9 | 0 | 0 | 0 | 112.8 | E52 L56 | E52-L54 PolarHBondContact O-N 3.1Å; L54-L56 PolarHBondContact O-N 3.05Å |
| 55 | I | 45 | Very low | 42.6 | Very low | 155 Ų | 155 | 155.6 Ų | 155.6 | 80% | 0.795 | 80% | 0.798 | S | S | * | * | | | trans | -64.9 | 123.2 | 166 | -61 | 178.9 | 0 | 0 | 0 | 108.8 | P53 R57 | P53-I55 PolarHBondContact O-N 3.27Å; I55-R57 PolarHBondContact O-N 3.15Å |
| 56 | L | 42.1 | Very low | 42.5 | Very low | 164 Ų | 164 | 154.8 Ų | 154.8 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | | | trans | -65.8 | 89.6 | -176.5 | -174.9 | 69.1 | 0 | 0 | 0 | 111.7 | L54 V58 | L54-L56 PolarHBondContact O-N 3.05Å; L56-V58 PolarHBondContact O-N 3.45Å |
| 57 | R | 43 | Very low | 41.7 | Very low | 229 Ų | 229 | 154.5 Ų | 154.5 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | | | trans | -76.5 | 107.2 | -176.2 | -152.1 | 174.7 | -162.5 | 128.4 | 1.4 | 110.8 | I55 N59 | I55-R57 PolarHBondContact O-N 3.15Å; R57-N59 PolarHBondContact O-N 3.33Å |
| 58 | V | 41.1 | Very low | 41.5 | Very low | 133 Ų | 133 | 152.4 Ų | 152.4 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | | | trans | -60.2 | 129.1 | 174 | 169.9 | 0 | 0 | 0 | 0 | 110.3 | L56 G60 | L56-V58 PolarHBondContact O-N 3.45Å; V58-G60 PolarHBondContact O-N 3.16Å; V58-G60 VanDerWaalsContact O-N 3.11Å |
| 59 | N | 40 | Very low | 41.3 | Very low | 164 Ų | 164 | 152.3 Ų | 152.3 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | | | trans | -71.3 | 101.7 | -178 | -81.5 | -24.1 | 0 | 0 | 0 | 112.1 | R57 | R57-N59 PolarHBondContact O-N 3.33Š|
| 60 | G | 40.2 | Very low | 40.9 | Very low | 70 Ų | 70 | 151.2 Ų | 151.2 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | | | trans | -107.6 | 113.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111 | V58 | V58-G60 PolarHBondContact O-N 3.16Å; V58-G60 VanDerWaalsContact O-N 3.11Å |
| 61 | T | 48.8 | Very low | 40.8 | Very low | 140 Ų | 140 | 150.3 Ų | 150.3 | 86% | 0.859 | 82% | 0.824 | S | S | * | * | | | trans | -76.8 | 124.5 | -177.2 | -5.6 | 0 | 0 | 0 | 0 | 111.7 | K63 | T61-K63 PolarHBondContact O-N 3.34Š|
| 62 | P | 37.4 | Very low | 40.2 | Very low | 126 Ų | 126 | 147.6 Ų | 147.6 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | trans | -78.2 | 115.8 | 179 | 30.4 | -33.3 | 0 | 0 | 0 | 111 | | |
| 63 | K | 38.6 | Very low | 39.3 | Very low | 203 Ų | 203 | 144.1 Ų | 144.1 | 88% | 0.883 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 124 | 171 | -156.4 | 172.5 | -173.6 | -179.7 | 0 | 109.4 | T61 | T61-K63 PolarHBondContact O-N 3.34Š|
| 64 | R | 36 | Very low | 39 | Very low | 229 Ų | 229 | 144.8 Ų | 144.8 | 86% | 0.864 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 141.8 | 178.3 | -86.6 | -171.1 | 169.9 | -154.8 | -1.7 | 111.3 | | |
| 65 | L | 36.3 | Very low | 38.8 | Very low | 156 Ų | 156 | 141 Ų | 141 | 82% | 0.817 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 126.5 | 169.4 | -160.5 | 164 | 0 | 0 | 0 | 108.2 | | |
| 66 | L | 39.4 | Very low | 38.2 | Very low | 143 Ų | 143 | 141.1 Ų | 141.1 | 75% | 0.749 | 82% | 0.821 | S | S | * | * | | | trans | -144.9 | 148.8 | 166.5 | -80.8 | 176.7 | 0 | 0 | 0 | 108.1 | | |
| 67 | D | 36.1 | Very low | 37.8 | Very low | 156 Ų | 156 | 139.1 Ų | 139.1 | 83% | 0.834 | 82% | 0.816 | S | S | * | * | | | trans | -70.1 | 162.5 | -168.3 | -51.7 | -106.1 | 0 | 0 | 0 | 115 | | |
| 68 | G | 36.4 | Very low | 37.5 | Very low | 77 Ų | 77 | 133.8 Ų | 133.8 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | | | trans | 161.5 | 116.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 69 | E | 42.5 | Very low | 37.7 | Very low | 206 Ų | 206 | 133.3 Ų | 133.3 | 96% | 0.963 | 81% | 0.809 | S | S | * | * | | | trans | -66.5 | 154.1 | 173 | -68.7 | 144.5 | 53.3 | 0 | 0 | 113.4 | | |
| 70 | G | 34.7 | Very low | 37.6 | Very low | 83 Ų | 83 | 131.3 Ų | 131.3 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | | | trans | -177.7 | 131.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 71 | D | 39.2 | Very low | 37.3 | Very low | 171 Ų | 171 | 135.7 Ų | 135.7 | 91% | 0.914 | 81% | 0.805 | S | S | * | * | | | trans | -92.3 | 155.8 | 179.2 | 173.1 | 51.2 | 0 | 0 | 0 | 113.2 | | |
| 72 | G | 35.1 | Very low | 36.7 | Very low | 64 Ų | 64 | 133.4 Ų | 133.4 | 66% | 0.66 | 80% | 0.795 | S | S | * | * | | | trans | 97.2 | 137.5 | 147.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 73 | G | 32.5 | Very low | 36.7 | Very low | 77 Ų | 77 | 134.9 Ų | 134.9 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | | | trans | 117.2 | 82 | 145.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 74 | S | 33.8 | Very low | 36.8 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | | | trans | 43.1 | 131.6 | 139.5 | -147.6 | 0 | 0 | 0 | 0 | 122.5 | | |
| 75 | C | 36.1 | Very low | 36.8 | Very low | 102 Ų | 102 | 125 Ų | 125 | 69% | 0.689 | 78% | 0.781 | S | S | * | * | | | trans | -19.6 | 141 | 167 | 59 | 0 | 0 | 0 | 0 | 120.8 | | |
| 76 | N | 33.3 | Very low | 37.3 | Very low | 157 Ų | 157 | 125.5 Ų | 125.5 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | | | | -158.8 | 129.2 | 128.6 | -97.8 | -36.5 | 0 | 0 | 0 | 113.4 | | |
| 77 | T | 32.7 | Very low | 37.2 | Very low | 123 Ų | 123 | 125 Ų | 125 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | | | trans | 27.3 | 130.2 | 152.9 | -37.6 | 0 | 0 | 0 | 0 | 123.2 | | |
| 78 | T | 38.4 | Very low | 37.3 | Very low | 116 Ų | 116 | 122.4 Ų | 122.4 | 71% | 0.712 | 79% | 0.785 | S | S | * | * | | | trans | -45.1 | 166.3 | 161 | 43.1 | 0 | 0 | 0 | 0 | 116.9 | | |
| 79 | P | 44.6 | Very low | 37.5 | Very low | 124 Ų | 124 | 123.3 Ų | 123.3 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | | | cis | -131 | 179.3 | 23 | 41.5 | -24.7 | 0 | 0 | 0 | 117.2 | | |
| 80 | N | 37.1 | Very low | 37.2 | Very low | 122 Ų | 122 | 124.7 Ų | 124.7 | 65% | 0.652 | 78% | 0.782 | S | S | * | * | | | trans | -117.6 | 119.8 | -175.5 | 57.4 | -56.7 | 0 | 0 | 0 | 111.8 | | |
| 81 | D | 35.4 | Very low | 37.3 | Very low | 162 Ų | 162 | 126.4 Ų | 126.4 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | | | trans | -76.1 | 124 | 165.9 | -74.2 | -57.1 | 0 | 0 | 0 | 110 | | |
| 82 | S | 35.1 | Very low | 37.8 | Very low | 92 Ų | 92 | 123.7 Ų | 123.7 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | | | trans | -137.7 | 81.4 | 178.4 | -65.7 | 0 | 0 | 0 | 0 | 109.5 | T84 | S82-T84 PolarHBondContact O-N 3.4Å; S82-T84 VanDerWaalsContact O-N 3.14Å |
| 83 | I | 37.5 | Very low | 38 | Very low | 156 Ų | 156 | 126.6 Ų | 126.6 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | | | trans | -78.4 | 97.1 | 178.6 | -56.8 | 178.3 | 0 | 0 | 0 | 108.6 | | |
| 84 | T | 41.8 | Very low | 38.3 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | | | trans | -102.9 | 115 | 164.2 | -178.9 | 0 | 0 | 0 | 0 | 109.3 | S82 Q86 | S82-T84 PolarHBondContact O-N 3.4Å; S82-T84 VanDerWaalsContact O-N 3.14Å; T84-Q86 PolarHBondContact O-N 3.11Å |
| 85 | S | 34.5 | Very low | 38.4 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | | | trans | -93.4 | 79.9 | -174.6 | -64.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 86 | Q | 46.4 | Very low | 38.4 | Very low | 166 Ų | 166 | 136.8 Ų | 136.8 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | | | trans | -93.9 | 135.7 | 166.1 | -70.9 | -171.6 | -21.3 | 0 | 0 | 110.8 | T84 A88 | T84-Q86 PolarHBondContact O-N 3.11Å; Q86-A88 PolarHBondContact O-N 3.17Å |
| 87 | P | 39.2 | Very low | 38.7 | Very low | 133 Ų | 133 | 135.1 Ų | 135.1 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | | | trans | -75.5 | 107.5 | 177.6 | 29.8 | -33.1 | 0 | 0 | 0 | 111 | A89 | P87-A89 PolarHBondContact O-N 3.07Š|
| 88 | A | 36.8 | Very low | 39.1 | Very low | 101 Ų | 101 | 137.9 Ų | 137.9 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | | | trans | -78.2 | 113.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q86 | Q86-A88 PolarHBondContact O-N 3.17Š|
| 89 | A | 40.8 | Very low | 39.1 | Very low | 97 Ų | 97 | 138.5 Ų | 138.5 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | | | trans | -71.2 | 136.6 | 167 | 0 | 0 | 0 | 0 | 0 | 111 | P87 | P87-A89 PolarHBondContact O-N 3.07Š|
| 90 | R | 37 | Very low | 38.4 | Very low | 235 Ų | 235 | 138.9 Ų | 138.9 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | | | trans | -86.1 | 112.2 | -169.1 | 172.8 | -179.8 | 167.5 | -178.7 | -3.7 | 112.4 | | |
| 91 | S | 35.3 | Very low | 38.6 | Very low | 118 Ų | 118 | 145.2 Ų | 145.2 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | | | trans | -120.4 | 132.7 | 170.5 | -70 | 0 | 0 | 0 | 0 | 111.8 | | |
| 92 | T | 50.3 | Low | 38.6 | Very low | 114 Ų | 114 | 142.9 Ų | 142.9 | 70% | 0.699 | 81% | 0.806 | S | S | * | * | | | trans | -95.1 | 145.6 | 176.9 | 46.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 93 | P | 40.4 | Very low | 39 | Very low | 126 Ų | 126 | 147 Ų | 147 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | | | trans | -77 | 141.5 | -176.3 | 31.6 | -35.4 | 0 | 0 | 0 | 112.6 | | |
| 94 | I | 37.9 | Very low | 39.1 | Very low | 167 Ų | 167 | 146 Ų | 146 | 86% | 0.856 | 82% | 0.818 | S | S | * | * | | | trans | -121.6 | 142.6 | 162.3 | -66.4 | -176.4 | 0 | 0 | 0 | 108.5 | | |
| 95 | H | 36.1 | Very low | 38.7 | Very low | 163 Ų | 163 | 144 Ų | 144 | 76% | 0.755 | 82% | 0.821 | S | S | * | * | | | trans | -70.7 | 145.7 | -164.9 | -162.6 | -80.8 | 0 | 0 | 0 | 113.4 | | |
| 96 | H | 35.6 | Very low | 38.6 | Very low | 176 Ų | 176 | 142.1 Ų | 142.1 | 82% | 0.815 | 82% | 0.819 | S | S | * | * | | | trans | -90.9 | 128 | 179.9 | -156.4 | 87.2 | 0 | 0 | 0 | 110.8 | | |
| 97 | T | 39.1 | Very low | 38.1 | Very low | 122 Ų | 122 | 142.3 Ų | 142.3 | 75% | 0.748 | 82% | 0.824 | S | S | * | * | | | trans | -145.4 | 151.9 | 170.7 | 28.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 98 | Q | 41.7 | Very low | 38 | Very low | 180 Ų | 180 | 144 Ų | 144 | 84% | 0.841 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 154.1 | -163.1 | -75.4 | -175 | -28.2 | 0 | 0 | 115.6 | C100 | Q98-C100 PolarHBondContact O-N 3.22Š|
| 99 | P | 37.8 | Very low | 38 | Very low | 130 Ų | 130 | 151 Ų | 151 | 84% | 0.844 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 118.4 | 175.4 | 31.3 | -34.2 | 0 | 0 | 0 | 112.6 | | |
| 100 | C | 30.8 | Very low | 37.6 | Very low | 131 Ų | 131 | 154.2 Ų | 154.2 | 89% | 0.885 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -82 | 131.8 | 165.8 | -76.7 | 0 | 0 | 0 | 0 | 111 | Q98 | Q98-C100 PolarHBondContact O-N 3.22Š|
| 101 | R | 41.3 | Very low | 37.4 | Very low | 256 Ų | 256 | 146.6 Ų | 146.6 | 97% | 0.966 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 118.2 | -176 | 179.4 | -172.1 | -176.5 | -167.9 | 3.8 | 111.5 | | |
| 102 | S | 34.5 | Very low | 37.5 | Very low | 112 Ų | 112 | 148.2 Ų | 148.2 | 78% | 0.783 | 83% | 0.833 | S | S | * | * | | | trans | -140.5 | 151.4 | 169.9 | 52.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 103 | Q | 44.3 | Very low | 37 | Very low | 180 Ų | 180 | 152.2 Ų | 152.2 | 84% | 0.841 | 84% | 0.841 | S | S | * | * | | | trans | -92.3 | 156.7 | 176.9 | -60.1 | -177.7 | 12.8 | 0 | 0 | 111.5 | | |
| 104 | P | 40.5 | Very low | 36.6 | Very low | 133 Ų | 133 | 150.8 Ų | 150.8 | 86% | 0.864 | 83% | 0.833 | S | S | * | * | | | trans | -96.2 | 103.1 | 148.4 | 33.2 | -24.6 | 0 | 0 | 0 | 110.6 | | |
| 105 | G | 32.8 | Very low | 36.4 | Very low | 74 Ų | 74 | 151.1 Ų | 151.1 | 76% | 0.763 | 83% | 0.831 | S | S | * | * | | | trans | -103.3 | 112.9 | 166 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 106 | G | 31.6 | Very low | 36.1 | Very low | 71 Ų | 71 | 152 Ų | 152 | 73% | 0.732 | 84% | 0.835 | S | S | * | * | | | trans | 177.2 | 80.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 107 | L | 37.1 | Very low | 36.3 | Very low | 169 Ų | 169 | 151.2 Ų | 151.2 | 89% | 0.885 | 83% | 0.832 | S | S | * | * | | | | 78.7 | 71 | 90.4 | -170 | 83.8 | 0 | 0 | 0 | 114 | | |
| 108 | L | 35.6 | Very low | 35.9 | Very low | 170 Ų | 170 | 151.1 Ų | 151.1 | 89% | 0.89 | 83% | 0.832 | S | S | * | * | | | trans | -157 | 101.8 | 150.7 | -84 | -167.2 | 0 | 0 | 0 | 112 | | |
| 109 | R | 36.7 | Very low | 35.8 | Very low | 246 Ų | 246 | 148 Ų | 148 | 93% | 0.928 | 83% | 0.825 | S | S | * | * | | | | -174.8 | 142.1 | 125 | -119.6 | -176.7 | 172.8 | -141.2 | -2.3 | 112.1 | | |
| 110 | N | 33.8 | Very low | 35.7 | Very low | 165 Ų | 165 | 149.3 Ų | 149.3 | 88% | 0.882 | 82% | 0.819 | S | S | * | * | | | trans | -77.3 | 146.7 | 177.5 | -60.1 | 0.1 | 0 | 0 | 0 | 110.8 | | |
| 111 | G | 33.2 | Very low | 36 | Very low | 75 Ų | 75 | 148.3 Ų | 148.3 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | | | trans | -127.2 | 120.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 112 | V | 35.6 | Very low | 36.5 | Very low | 152 Ų | 152 | 142.1 Ų | 142.1 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | | | trans | -136.9 | 153.2 | 160.2 | -81.3 | 0 | 0 | 0 | 0 | 107.8 | | |
| 113 | K | 40.6 | Very low | 36.5 | Very low | 199 Ų | 199 | 143.9 Ų | 143.9 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | | | trans | -145.3 | 142.7 | -152.4 | -172.2 | -171.4 | -179.3 | -176.9 | 0 | 112.5 | | |
| 114 | S | 32 | Very low | 36.1 | Very low | 95 Ų | 95 | 142.9 Ų | 142.9 | 66% | 0.664 | 80% | 0.796 | S | S | * | * | | | trans | 124.8 | 142 | 144.5 | -56 | 0 | 0 | 0 | 0 | 115.8 | | |
| 115 | H | 33.4 | Very low | 35.7 | Very low | 174 Ų | 174 | 141.3 Ų | 141.3 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | | | trans | 71.2 | 147.8 | 155.7 | -91.3 | 47.8 | 0 | 0 | 0 | 116.3 | | |
| 116 | E | 30.9 | Very low | 35.6 | Very low | 181 Ų | 181 | 146.6 Ų | 146.6 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | | | cis | -127.4 | -179.6 | 10.3 | -71.6 | -161 | 115 | 0 | 0 | 114.7 | | |
| 117 | H | 38.5 | Very low | 35.7 | Very low | 161 Ų | 161 | 148.5 Ų | 148.5 | 75% | 0.745 | 79% | 0.786 | S | S | * | * | | | trans | -104.8 | 127.3 | -179.6 | 167.7 | -78.5 | 0 | 0 | 0 | 110.7 | | |
| 118 | T | 31.7 | Very low | 35.4 | Very low | 120 Ų | 120 | 145.1 Ų | 145.1 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | | | trans | -152.5 | 133.5 | 168.8 | -77.5 | 0 | 0 | 0 | 0 | 112 | | |
| 119 | T | 38.7 | Very low | 35.3 | Very low | 115 Ų | 115 | 145.2 Ų | 145.2 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | trans | -100.3 | 135.4 | 174.1 | -49.1 | 0 | 0 | 0 | 0 | 110 | | |
| 120 | H | 35.1 | Very low | 35.2 | Very low | 157 Ų | 157 | 141.1 Ų | 141.1 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | trans | -177.3 | 150.5 | 137.8 | 53.3 | -79.8 | 0 | 0 | 0 | 111.8 | | |
| 121 | C | 38 | Very low | 35.5 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | | | trans | -100.9 | 155 | 161.8 | -52.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 122 | P | 50.8 | Low | 35.2 | Very low | 125 Ų | 125 | 139.4 Ų | 139.4 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | | | trans | -100.5 | 158.9 | 147.8 | 34 | -28.2 | 0 | 0 | 0 | 111.2 | | |
| 123 | H | 34.9 | Very low | 35.2 | Very low | 149 Ų | 149 | 140.3 Ų | 140.3 | 69% | 0.69 | 77% | 0.771 | S | S | * | * | | | trans | -131.3 | 144.9 | -169.3 | -117.3 | -109 | 0 | 0 | 0 | 110.7 | | |
| 124 | H | 36.8 | Very low | 34.9 | Very low | 159 Ų | 159 | 139.4 Ų | 139.4 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | | | trans | 63.5 | 158.6 | 165.9 | -53.2 | -58.7 | 0 | 0 | 0 | 116.5 | | |
| 125 | T | 31.4 | Very low | 34.9 | Very low | 100 Ų | 100 | 140.2 Ų | 140.2 | 61% | 0.613 | 78% | 0.775 | S | S | * | * | | | cis | -142.4 | 161.4 | -4.1 | -14.3 | 0 | 0 | 0 | 0 | 108 | | |
| 126 | H | 31.1 | Very low | 35.1 | Very low | 185 Ų | 185 | 139 Ų | 139 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | | | | -163.3 | 145.3 | 83.9 | -101.3 | -85.2 | 0 | 0 | 0 | 112.9 | | |
| 127 | T | 33.4 | Very low | 35.3 | Very low | 111 Ų | 111 | 136 Ų | 136 | 68% | 0.681 | 77% | 0.771 | S | S | * | * | | | trans | -103.3 | 147.5 | 175.8 | -49.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 128 | A | 30.6 | Very low | 35.1 | Very low | 98 Ų | 98 | 134.6 Ų | 134.6 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | | | trans | -167.4 | 151.4 | 130.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 129 | H | 32.9 | Very low | 35.3 | Very low | 173 Ų | 173 | 139.1 Ų | 139.1 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | | | trans | -102.6 | 164.1 | -177.4 | -79.1 | -120.6 | 0 | 0 | 0 | 113.4 | | |
| 130 | L | 35.3 | Very low | 35 | Very low | 159 Ų | 159 | 140.2 Ų | 140.2 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | | | trans | -29.9 | 160.6 | 143.8 | -72.4 | 162.4 | 0 | 0 | 0 | 114.3 | | |
| 131 | P | 41.5 | Very low | 34.7 | Very low | 130 Ų | 130 | 136.5 Ų | 136.5 | 84% | 0.844 | 78% | 0.782 | S | S | * | * | | | cis | -154.3 | -164.8 | 42.2 | 44.8 | -23.9 | 0 | 0 | 0 | 116.9 | | |
| 132 | G | 26.6 | Very low | 34.4 | Very low | 75 Ų | 75 | 135.3 Ų | 135.3 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | 140.6 | 127.1 | 135.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 133 | L | 35.2 | Very low | 33.5 | Very low | 171 Ų | 171 | 134.5 Ų | 134.5 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | | | trans | -107.2 | 153.8 | 167 | -101.3 | 148.6 | 0 | 0 | 0 | 110.6 | | |
| 134 | Q | 33.6 | Very low | 33.6 | Very low | 180 Ų | 180 | 135.9 Ų | 135.9 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | | | trans | 78.1 | 161.7 | 150.5 | -109.4 | -145.1 | 79.8 | 0 | 0 | 122.6 | | |
| 135 | S | 31.6 | Very low | 33.5 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | | | trans | 82.9 | 151 | 166.2 | 81.6 | 0 | 0 | 0 | 0 | 119.2 | | |
| 136 | N | 37.6 | Very low | 33.9 | Very low | 149 Ų | 149 | 140.3 Ų | 140.3 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | | | trans | -151.8 | 124.4 | -169.2 | 176.6 | -0.9 | 0 | 0 | 0 | 108.8 | | |
| 137 | P | 36.9 | Very low | 34.5 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | | | trans | -132.1 | 146.4 | 162 | 33.7 | -18 | 0 | 0 | 0 | 116 | | |
| 138 | V | 32.5 | Very low | 34.7 | Very low | 130 Ų | 130 | 138.9 Ų | 138.9 | 79% | 0.788 | 79% | 0.789 | S | S | * | * | | | trans | -69.6 | 147.2 | -176.2 | -168.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 139 | R | 36.9 | Very low | 34.7 | Very low | 215 Ų | 215 | 141.7 Ų | 141.7 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | | | | 154.8 | 115 | 109.7 | -163.7 | 163.2 | -166.7 | -89.1 | 4.2 | 119.2 | | |
| 140 | N | 31.6 | Very low | 34.7 | Very low | 139 Ų | 139 | 136.7 Ų | 136.7 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | | | trans | 46.3 | 133.1 | 143.7 | -60.5 | 6.5 | 0 | 0 | 0 | 125.6 | | |
| 141 | G | 30.5 | Very low | 34.6 | Very low | 79 Ų | 79 | 134.8 Ų | 134.8 | 81% | 0.814 | 79% | 0.785 | S | S | * | * | | | trans | 141.9 | 111.6 | 151.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 142 | G | 30.4 | Very low | 34.5 | Very low | 84 Ų | 84 | 136.7 Ų | 136.7 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | | | cis | 102.8 | 124.4 | 38.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 143 | S | 33.2 | Very low | 35.6 | Very low | 109 Ų | 109 | 139.3 Ų | 139.3 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | | | cis | -163.6 | 155.5 | 12 | 177.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 144 | H | 36.8 | Very low | 35.8 | Very low | 178 Ų | 178 | 142.9 Ų | 142.9 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | | | trans | 171.3 | 165.5 | 135.7 | -100.4 | -94.8 | 0 | 0 | 0 | 113.4 | | |
| 145 | R | 34.9 | Very low | 35.6 | Very low | 228 Ų | 228 | 138.4 Ų | 138.4 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | -74.1 | 151.8 | -163.8 | -49.5 | 173.8 | -171.3 | -100.3 | 2.1 | 113.9 | | |
| 146 | H | 39.4 | Very low | 35.6 | Very low | 124 Ų | 124 | 137 Ų | 137 | 57% | 0.574 | 80% | 0.797 | S | S | * | * | | | cis | 80.8 | 148.2 | 25.2 | -144 | 36.4 | 0 | 0 | 0 | 115 | K148 | H146-K148 PolarHBondContact CE1-N 3.1Å; H146-K148 VanDerWaalsContact CE1-N 3.31Å; H146-K148 PolarHBondContact ND1-N 3.08Å; H146-K148 WeakPolarHBondContact NE2-CD 3.31Å; H146-K148 VanDerWaalsContact NE2-CG 3.32Å; H146-K148 WeakPolarHBondContact NE2-CG 3.42Å; H146-K148 PolarHBondContact NE2-NZ 3.14Å |
| 147 | P | 43.6 | Very low | 35.5 | Very low | 111 Ų | 111 | 135.8 Ų | 135.8 | 72% | 0.721 | 80% | 0.8 | S | S | * | * | | | cis | -97.6 | -171 | 40.2 | 42.2 | -41.8 | 0 | 0 | 0 | 115.1 | | |
| 148 | K | 37.2 | Very low | 35.3 | Very low | 154 Ų | 154 | 135.2 Ų | 135.2 | 67% | 0.67 | 80% | 0.799 | S | S | * | * | | | cis | 81.3 | 150.8 | 15.2 | -102.9 | 179.3 | -163.1 | 102.8 | 0 | 115.7 | H146 | H146-K148 PolarHBondContact CE1-N 3.1Å; H146-K148 VanDerWaalsContact CE1-N 3.31Å; H146-K148 PolarHBondContact ND1-N 3.08Å; H146-K148 WeakPolarHBondContact NE2-CD 3.31Å; H146-K148 VanDerWaalsContact NE2-CG 3.32Å; H146-K148 WeakPolarHBondContact NE2-CG 3.42Å; H146-K148 PolarHBondContact NE2-NZ 3.14Å |
| 149 | L | 31.4 | Very low | 35.4 | Very low | 158 Ų | 158 | 135.2 Ų | 135.2 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | | | cis | -117.3 | 165 | 6 | -67.3 | 152.7 | 0 | 0 | 0 | 110.2 | | |
| 150 | G | 31.3 | Very low | 35.2 | Very low | 68 Ų | 68 | 129.9 Ų | 129.9 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | | | | 85.9 | 136 | 60.6 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 151 | S | 33.1 | Very low | 35.4 | Very low | 119 Ų | 119 | 128.2 Ų | 128.2 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | | | cis | -162.1 | 175.7 | 7.3 | -65.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 152 | L | 41 | Very low | 35.7 | Very low | 169 Ų | 169 | 129.8 Ų | 129.8 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | | | trans | -67.1 | 163.7 | 164.8 | -69.6 | 169.2 | 0 | 0 | 0 | 112 | | |
| 153 | P | 49.2 | Very low | 36 | Very low | 130 Ų | 130 | 130.8 Ų | 130.8 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | | | | -139.6 | 172.2 | 115.7 | 39.4 | -28.9 | 0 | 0 | 0 | 115.3 | | |
| 154 | R | 38.3 | Very low | 36.3 | Very low | 247 Ų | 247 | 130.8 Ų | 130.8 | 93% | 0.932 | 79% | 0.787 | S | S | * | * | | | trans | -130.9 | 125.1 | -179.4 | 158.9 | -175.7 | 161.1 | -160.7 | -3.3 | 109.9 | | |
| 155 | G | 30.2 | Very low | 36.3 | Very low | 85 Ų | 85 | 127.3 Ų | 127.3 | 88% | 0.876 | 79% | 0.789 | S | S | * | * | | | trans | 79.6 | 140.4 | 164 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 156 | G | 31.7 | Very low | 36.4 | Very low | 82 Ų | 82 | 120.2 Ų | 120.2 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | | | trans | 165.6 | 119.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 157 | S | 35.1 | Very low | 36.8 | Very low | 123 Ų | 123 | 119.9 Ų | 119.9 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | | | trans | -106.2 | 136.4 | -175.7 | -56.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 158 | S | 33.7 | Very low | 36.6 | Very low | 107 Ų | 107 | 124.5 Ų | 124.5 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | | | trans | -174.8 | 124 | 158.5 | -79.6 | 0 | 0 | 0 | 0 | 107.5 | | |
| 159 | T | 34.2 | Very low | 36.7 | Very low | 131 Ų | 131 | 125.7 Ų | 125.7 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | | | | 53.7 | 131 | 82.1 | 60 | 0 | 0 | 0 | 0 | 113.3 | | |
| 160 | S | 33 | Very low | 37.2 | Very low | 103 Ų | 103 | 123.7 Ų | 123.7 | 72% | 0.72 | 81% | 0.807 | S | S | * | * | | | cis | -166 | 170 | 8.9 | 48.4 | 0 | 0 | 0 | 0 | 114 | | |
| 161 | S | 35.9 | Very low | 37.9 | Very low | 103 Ų | 103 | 130.3 Ų | 130.3 | 72% | 0.72 | 82% | 0.816 | S | S | * | * | | | trans | 76 | 112.3 | 148.2 | -56.6 | 0 | 0 | 0 | 0 | 122.8 | | |
| 162 | S | 36.8 | Very low | 38.2 | Very low | 113 Ų | 113 | 134.3 Ų | 134.3 | 79% | 0.79 | 82% | 0.819 | S | S | * | * | | | | 26.4 | 144.5 | 129.4 | 63.6 | 0 | 0 | 0 | 0 | 121.6 | | |
| 163 | S | 36.4 | Very low | 38.4 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | | | cis | -170.7 | 152.6 | 43.2 | 52.4 | 0 | 0 | 0 | 0 | 116 | | |
| 164 | S | 38.3 | Very low | 38 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | | | trans | 30.5 | 128.3 | 149.9 | 63.5 | 0 | 0 | 0 | 0 | 123.8 | | |
| 165 | A | 38 | Very low | 38 | Very low | 105 Ų | 105 | 132.8 Ų | 132.8 | 87% | 0.868 | 82% | 0.815 | S | S | * | * | | | | 178.5 | 140.3 | 117.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 166 | G | 36 | Very low | 38.4 | Very low | 79 Ų | 79 | 134.7 Ų | 134.7 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | | | trans | 81.2 | 132.7 | 144.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 167 | P | 48.6 | Very low | 39.1 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | | | trans | -115.3 | 156.7 | 174.8 | 39.6 | -31.4 | 0 | 0 | 0 | 115.1 | | |
| 168 | K | 40.2 | Very low | 39.4 | Very low | 207 Ų | 207 | 135.9 Ų | 135.9 | 90% | 0.9 | 80% | 0.798 | S | S | * | * | | | trans | -174.6 | 158.6 | 135.8 | -99.6 | 149 | -169.6 | 176.5 | 0 | 113.7 | | |
| 169 | H | 38.4 | Very low | 39.8 | Very low | 179 Ų | 179 | 139.4 Ų | 139.4 | 83% | 0.829 | 81% | 0.806 | S | S | * | * | | | trans | -47.3 | 152.6 | -177.3 | -73.3 | -147.3 | 0 | 0 | 0 | 114.1 | | |
| 170 | T | 42.6 | Very low | 40.2 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 72% | 0.718 | 81% | 0.806 | S | S | * | * | | | | -161.1 | 151.6 | 60 | 38.4 | 0 | 0 | 0 | 0 | 116.3 | | |
| 171 | K | 45.2 | Very low | 40.5 | Very low | 206 Ų | 206 | 140.2 Ų | 140.2 | 90% | 0.896 | 81% | 0.812 | S | S | * | * | | | trans | 47.1 | 97 | 146.8 | -61.6 | 176.7 | -178.3 | -179.8 | 0 | 118.1 | | |
| 172 | K | 38.9 | Very low | 41 | Very low | 203 Ų | 203 | 144.3 Ų | 144.3 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | | | trans | -105 | 135.9 | 156.4 | -73.6 | -176.6 | 176.7 | 179.8 | 0 | 110.3 | | |
| 173 | L | 46 | Very low | 41.2 | Very low | 180 Ų | 180 | 142 Ų | 142 | 94% | 0.942 | 81% | 0.814 | S | S | * | * | | | trans | -112.9 | 110.8 | 156.5 | -74.5 | 175.3 | 0 | 0 | 0 | 107.9 | | |
| 174 | R | 40.3 | Very low | 41.6 | Very low | 216 Ų | 216 | 143.2 Ų | 143.2 | 82% | 0.815 | 82% | 0.822 | S | S | * | * | | | trans | -157.5 | 81.7 | 174.4 | -107 | -68.4 | -164.1 | 165.4 | 4.3 | 107.6 | | |
| 175 | S | 38.2 | Very low | 42 | Very low | 118 Ų | 118 | 147.3 Ų | 147.3 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | | | trans | -75.8 | 121.2 | 170.4 | 28.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 176 | N | 39.5 | Very low | 42.2 | Very low | 125 Ų | 125 | 153.7 Ų | 153.7 | 67% | 0.668 | 83% | 0.828 | S | S | * | * | | | trans | -130.2 | 126.1 | 157.5 | -91.1 | -3.3 | 0 | 0 | 0 | 105.7 | | |
| 177 | P | 46 | Very low | 42.7 | Very low | 128 Ų | 128 | 156.1 Ų | 156.1 | 83% | 0.831 | 83% | 0.832 | S | S | * | * | | | trans | -74.3 | 126.3 | 173.9 | 30.2 | -32.2 | 0 | 0 | 0 | 109.7 | | |
| 178 | S | 41.9 | Very low | 42.9 | Very low | 103 Ų | 103 | 160.8 Ų | 160.8 | 72% | 0.72 | 84% | 0.84 | S | S | * | * | | | trans | -155.3 | 87.3 | 174.3 | -66.3 | 0 | 0 | 0 | 0 | 109.2 | T180 | S178-T180 PolarHBondContact O-N 3.06Š|
| 179 | I | 41.5 | Very low | 43 | Very low | 181 Ų | 181 | 156.6 Ų | 156.6 | 93% | 0.928 | 84% | 0.837 | S | S | * | * | | | trans | -94.7 | 83.3 | -179.2 | 49.9 | 166.3 | 0 | 0 | 0 | 111.6 | | |
| 180 | T | 42.5 | Very low | 43.7 | Very low | 132 Ų | 132 | 153.5 Ų | 153.5 | 81% | 0.81 | 84% | 0.836 | S | S | * | * | | | trans | -134.6 | 115.9 | 156.4 | 177 | 0 | 0 | 0 | 0 | 108.7 | S178 | S178-T180 PolarHBondContact O-N 3.06Š|
| 181 | S | 39.5 | Very low | 43.5 | Very low | 119 Ų | 119 | 153 Ų | 153 | 83% | 0.832 | 84% | 0.837 | S | S | * | * | | | trans | -142.9 | 100 | -176.7 | 59.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 182 | Q | 45.6 | Very low | 43.7 | Very low | 188 Ų | 188 | 153.3 Ų | 153.3 | 88% | 0.879 | 84% | 0.838 | S | S | * | * | | | trans | -62.6 | 136.8 | 178.8 | -79.2 | -96.2 | -0.3 | 0 | 0 | 113.5 | | |
| 183 | G | 41.5 | Very low | 43.6 | Very low | 65 Ų | 65 | 148.6 Ų | 148.6 | 67% | 0.67 | 83% | 0.831 | S | S | * | * | | | trans | 57.6 | 92.8 | 137.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 184 | S | 44.8 | Very low | 43.9 | Very low | 130 Ų | 130 | 147.7 Ų | 147.7 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | | | trans | -86.4 | 141.9 | 152.5 | -169 | 0 | 0 | 0 | 0 | 110.5 | | |
| 185 | K | 46.3 | Very low | 44.3 | Very low | 195 Ų | 195 | 142.1 Ų | 142.1 | 85% | 0.848 | 82% | 0.821 | S | S | * | * | | | trans | -112 | 145.4 | -173.7 | -72.6 | -178.2 | 178.2 | 176.4 | 0 | 112.5 | | |
| 186 | R | 42.5 | Very low | 44.5 | Very low | 239 Ų | 239 | 141.6 Ų | 141.6 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | | | trans | 73.6 | 83.5 | 176.3 | -69.5 | -177.4 | 160 | -174 | -5 | 117.2 | | |
| 187 | S | 46.6 | Very low | 44.9 | Very low | 130 Ų | 130 | 144.1 Ų | 144.1 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | | | | -114.3 | 113.8 | 129.6 | -69.7 | 0 | 0 | 0 | 0 | 107.7 | | |
| 188 | K | 52.8 | Low | 45 | Very low | 215 Ų | 215 | 145.1 Ų | 145.1 | 94% | 0.935 | 82% | 0.822 | S | S | * | * | | | trans | -111.5 | 84.2 | 174.3 | -172.4 | -178.5 | 177.2 | -179.5 | 0 | 109.7 | | |
| 189 | S | 42.1 | Very low | 44.9 | Very low | 119 Ų | 119 | 144.8 Ų | 144.8 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | | | trans | -129.3 | 146 | 155.9 | -167.6 | 0 | 0 | 0 | 0 | 108 | | |
| 190 | S | 52.4 | Low | 45.4 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | | | trans | -103.4 | 114.1 | -167.4 | 52.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 191 | S | 39.8 | Very low | 45.5 | Very low | 106 Ų | 106 | 141.1 Ų | 141.1 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | | | trans | -116 | 112.5 | 161.4 | -63.7 | 0 | 0 | 0 | 0 | 109.1 | S193 | S191-S193 PolarHBondContact O-N 2.88Š|
| 192 | K | 49.7 | Very low | 45.9 | Very low | 213 Ų | 213 | 138.8 Ų | 138.8 | 93% | 0.926 | 79% | 0.787 | S | S | * | * | | | trans | -76.8 | 74 | 163.4 | -79.9 | -174.8 | 173.3 | -178.1 | 0 | 108.4 | N194 | K192-N194 VanDerWaalsContact C-N 3.27Å; K192-N194 PolarHBondContact O-N 3.47Å |
| 193 | S | 36.9 | Very low | 45.7 | Very low | 104 Ų | 104 | 136.2 Ų | 136.2 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | trans | -76.5 | 84.2 | 171.2 | -61.7 | 0 | 0 | 0 | 0 | 109.4 | S191 | S191-S193 PolarHBondContact O-N 2.88Š|
| 194 | N | 50.5 | Low | 45.9 | Very low | 161 Ų | 161 | 138.1 Ų | 138.1 | 86% | 0.861 | 77% | 0.77 | S | S | * | * | | | trans | -73.5 | 148.3 | 156.9 | -157 | 4.9 | 0 | 0 | 0 | 107.8 | K192 | K192-N194 VanDerWaalsContact C-N 3.27Å; K192-N194 PolarHBondContact O-N 3.47Å |
| 195 | S | 49.1 | Very low | 45.8 | Very low | 100 Ų | 100 | 136.4 Ų | 136.4 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | | | trans | 68.9 | 123.9 | -159.9 | -158.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 196 | S | 44 | Very low | 45.5 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 74% | 0.741 | 73% | 0.733 | S | S | * | * | | | cis | -123.7 | 137.4 | 46.1 | -162 | 0 | 0 | 0 | 0 | 114 | | |
| 197 | Q | 46.5 | Very low | 45.7 | Very low | 179 Ų | 179 | 122.4 Ų | 122.4 | 84% | 0.836 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 130.4 | 156.6 | -70.4 | 168.8 | -24.5 | 0 | 0 | 107.5 | | |
| 198 | I | 47.8 | Very low | 46.2 | Very low | 148 Ų | 148 | 119.7 Ų | 119.7 | 76% | 0.759 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -85 | 120.2 | 167.3 | -60.7 | 171.4 | 0 | 0 | 0 | 105.3 | T200 | I198-T200 PolarHBondContact O-N 2.99Š|
| 199 | P | 41.5 | Very low | 45.9 | Very low | 97 Ų | 97 | 115.4 Ų | 115.4 | 63% | 0.63 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 123.4 | 174.4 | -19.7 | 32.7 | 0 | 0 | 0 | 109.5 | D201 | P199-D201 VanDerWaalsContact C-N 3.31Š|
| 200 | T | 50.5 | Low | 46.2 | Very low | 108 Ų | 108 | 113.3 Ų | 113.3 | 66% | 0.663 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -74.1 | -23.5 | 175.5 | 39.1 | 0 | 0 | 0 | 0 | 112.5 | I198 A202 Q203 | I198-T200 PolarHBondContact O-N 2.99Å; T200-A202 VanDerWaalsContact C-N 3.25Å; T200-A202 PolarHBondContact O-N 3.11Å; T200-Q203 PolarHBondContact O-N 3.09Å |
| 201 | D | 44.9 | Very low | 46.9 | Very low | 128 Ų | 128 | 112.4 Ų | 112.4 | 68% | 0.684 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -35.2 | -51.7 | 174.8 | -82.9 | -154.9 | 0 | 0 | 0 | 114.3 | P199 Q203 D204 | P199-D201 VanDerWaalsContact C-N 3.31Å; D201-Q203 PolarHBondContact O-N 3.37Å; D201-Q203 VanDerWaalsContact O-N 3.11Å; D201-D204 PolarHBondContact O-N 3.39Å |
| 202 | A | 47.5 | Very low | 48.2 | Very low | 70 Ų | 70 | 111.6 Ų | 111.6 | 58% | 0.579 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -78.9 | 6.3 | -167 | 0 | 0 | 0 | 0 | 0 | 115 | T200 | T200-A202 VanDerWaalsContact C-N 3.25Å; T200-A202 PolarHBondContact O-N 3.11Å |
| 203 | Q | 41.8 | Very low | 48.4 | Very low | 134 Ų | 134 | 103.9 Ų | 103.9 | 63% | 0.626 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -102.9 | -39.9 | 172.1 | -72.6 | -70.9 | -15.1 | 0 | 0 | 111.7 | T200 D201 D205 C206 C207 | T200-Q203 PolarHBondContact O-N 3.09Å; D201-Q203 PolarHBondContact O-N 3.37Å; D201-Q203 VanDerWaalsContact O-N 3.11Å; Q203-D205 VanDerWaalsContact C-N 3.25Å; Q203-D205 PolarHBondContact O-N 3.15Å; Q203-C206 PolarHBondContact O-N 3.06Å; Q203-C206 VanDerWaalsContact O-N 3.16Å; Q203-C206 PolarHBondContact O-SG 2.84Å; Q203-C207 PolarHBondContact O-N 2.91Å |
| 204 | D | 45.2 | Very low | 49.1 | Very low | 104 Ų | 104 | 101.7 Ų | 101.7 | 56% | 0.556 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -60 | -37.3 | 175.1 | -74.2 | -81.4 | 0 | 0 | 0 | 111.7 | D201 C206 C207 V208 | D201-D204 PolarHBondContact O-N 3.39Å; D204-C206 VanDerWaalsContact C-N 3.3Å; D204-C206 PolarHBondContact O-N 2.89Å; D204-C207 PolarHBondContact O-N 3.15Å; D204-C207 VanDerWaalsContact O-N 3.15Å; D204-V208 WeakPolarHBondContact O-CB 3.19Å; D204-V208 WeakPolarHBondContact O-CG2 3.29Å; D204-V208 PolarHBondContact O-N 3.24Å |
| 205 | D | 42.5 | Very low | 50 | Low | 95 Ų | 95 | 97.2 Ų | 97.2 | 51% | 0.508 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -48.7 | -46.7 | 172.4 | -88.6 | -39.1 | 0 | 0 | 0 | 113.1 | Q203 H209 | Q203-D205 VanDerWaalsContact C-N 3.25Å; Q203-D205 PolarHBondContact O-N 3.15Å; D205-H209 WeakPolarHBondContact O-CB 3.41Å; D205-H209 PolarHBondContact O-N 3.32Å; D205-H209 PolarHBondContact O-ND1 3.27Å |
| 206 | C | 41.8 | Very low | 50.8 | Low | 71 Ų | 71 | 98.3 Ų | 98.3 | 48% | 0.48 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -75.9 | -29.8 | -175.6 | 78.2 | 0 | 0 | 0 | 0 | 112.6 | Q203 D204 C210 | Q203-C206 PolarHBondContact O-N 3.06Å; Q203-C206 VanDerWaalsContact O-N 3.16Å; Q203-C206 PolarHBondContact O-SG 2.84Å; D204-C206 VanDerWaalsContact C-N 3.3Å; D204-C206 PolarHBondContact O-N 2.89Å; C206-C210 VanDerWaalsContact O-CB 3.29Å; C206-C210 WeakPolarHBondContact O-CB 3.33Å; C206-C210 PolarHBondContact O-N 2.76Å; C206-C210 VanDerWaalsContact O-N 3.09Å |
| 207 | C | 44.9 | Very low | 51.1 | Low | 69 Ų | 69 | 96.9 Ų | 96.9 | 47% | 0.466 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.1 | -48.4 | 170.8 | -65.7 | 0 | 0 | 0 | 0 | 111.1 | Q203 D204 C210 I211 | Q203-C207 PolarHBondContact O-N 2.91Å; D204-C207 PolarHBondContact O-N 3.15Å; D204-C207 VanDerWaalsContact O-N 3.15Å; C207-C210 WeakPolarHBondContact O-CB 3.48Å; C207-C210 PolarHBondContact O-N 2.92Å; C207-C210 VanDerWaalsContact O-N 3.15Å; C207-I211 WeakPolarHBondContact O-CG1 3.39Å; C207-I211 PolarHBondContact O-N 3.4Å |
| 208 | V | 57.8 | Low | 52.1 | Low | 73 Ų | 73 | 94 Ų | 94 | 44% | 0.442 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 178.9 | 171 | 0 | 0 | 0 | 0 | 111.2 | D204 C210 I211 L212 | D204-V208 WeakPolarHBondContact O-CB 3.19Å; D204-V208 WeakPolarHBondContact O-CG2 3.29Å; D204-V208 PolarHBondContact O-N 3.24Å; V208-C210 VanDerWaalsContact C-N 3.27Å; V208-C210 PolarHBondContact O-N 3.29Å; V208-I211 PolarHBondContact O-N 3.34Å; V208-L212 HydrophobicContact CG1-CD1 3.79Å; V208-L212 HydrophobicContact CG1-CG 4.3Å; V208-L212 WeakPolarHBondContact O-CB 3.36Å; V208-L212 VanDerWaalsContact O-CG 3.31Å; V208-L212 WeakPolarHBondContact O-CG 3.47Å; V208-L212 PolarHBondContact O-N 3.25Å |
| 209 | H | 47.1 | Very low | 53 | Low | 124 Ų | 124 | 92.9 Ų | 92.9 | 57% | 0.574 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.2 | -32.4 | 175.1 | -76.3 | 80.3 | 0 | 0 | 0 | 112.3 | D205 A213 | D205-H209 WeakPolarHBondContact O-CB 3.41Å; D205-H209 PolarHBondContact O-N 3.32Å; D205-H209 PolarHBondContact O-ND1 3.27Å; H209-A213 WeakPolarHBondContact O-CB 3.38Å; H209-A213 PolarHBondContact O-N 3.46Å |
| 210 | C | 47.9 | Very low | 54.3 | Low | 75 Ų | 75 | 91.6 Ų | 91.6 | 51% | 0.507 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.7 | -44.7 | 173.7 | -167.1 | 0 | 0 | 0 | 0 | 111.9 | C206 C207 V208 A213 C214 | C206-C210 VanDerWaalsContact O-CB 3.29Å; C206-C210 WeakPolarHBondContact O-CB 3.33Å; C206-C210 PolarHBondContact O-N 2.76Å; C206-C210 VanDerWaalsContact O-N 3.09Å; C207-C210 WeakPolarHBondContact O-CB 3.48Å; C207-C210 PolarHBondContact O-N 2.92Å; C207-C210 VanDerWaalsContact O-N 3.15Å; V208-C210 VanDerWaalsContact C-N 3.27Å; V208-C210 PolarHBondContact O-N 3.29Å; C210-A213 PolarHBondContact O-N 3Å; C210-C214 PolarHBondContact O-N 2.7Å; C210-C214 PolarHBondContact O-SG 3.09Å; C210-C214 VanDerWaalsContact O-SG 3.34Å |
| 211 | I | 66.6 | Low | 55.1 | Low | 96 Ų | 96 | 89.8 Ų | 89.8 | 49% | 0.492 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.9 | -46.9 | 178.7 | -68.1 | 161.9 | 0 | 0 | 0 | 110.5 | C207 V208 A213 C214 L215 | C207-I211 WeakPolarHBondContact O-CG1 3.39Å; C207-I211 PolarHBondContact O-N 3.4Å; V208-I211 PolarHBondContact O-N 3.34Å; I211-A213 VanDerWaalsContact C-N 3.29Å; I211-A213 PolarHBondContact O-N 2.89Å; I211-C214 PolarHBondContact O-N 3.06Å; I211-L215 HydrophobicContact CG2-CD1 3.96Å; I211-L215 HydrophobicContact CG2-CG 4.43Å; I211-L215 WeakPolarHBondContact O-CG 3.46Å; I211-L215 PolarHBondContact O-N 2.97Å |
| 212 | L | 68.2 | Low | 55.9 | Low | 89 Ų | 89 | 88.5 Ų | 88.5 | 47% | 0.466 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.3 | -34.9 | 176.3 | -67.6 | 173.6 | 0 | 0 | 0 | 112.1 | V208 F216 | V208-L212 HydrophobicContact CG1-CD1 3.79Å; V208-L212 HydrophobicContact CG1-CG 4.3Å; V208-L212 WeakPolarHBondContact O-CB 3.36Å; V208-L212 VanDerWaalsContact O-CG 3.31Å; V208-L212 WeakPolarHBondContact O-CG 3.47Å; V208-L212 PolarHBondContact O-N 3.25Å; L212-F216 WeakPolarHBondContact O-CB 3.31Å; L212-F216 PolarHBondContact O-N 3.02Å |
| 213 | A | 53 | Low | 56.5 | Low | 50 Ų | 50 | 87.7 Ų | 87.7 | 41% | 0.413 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.9 | -40.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | H209 C210 I211 F216 C217 | H209-A213 WeakPolarHBondContact O-CB 3.38Å; H209-A213 PolarHBondContact O-N 3.46Å; C210-A213 PolarHBondContact O-N 3Å; I211-A213 VanDerWaalsContact C-N 3.29Å; I211-A213 PolarHBondContact O-N 2.89Å; A213-F216 PolarHBondContact O-N 2.85Å; A213-C217 WeakPolarHBondContact O-CB 3.49Å; A213-C217 PolarHBondContact O-N 3.06Å; A213-C217 PolarHBondContact O-SG 3.37Å; A213-C217 VanDerWaalsContact O-SG 3.41Å |
| 214 | C | 52.7 | Low | 57 | Low | 59 Ų | 59 | 86.1 Ų | 86.1 | 40% | 0.399 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.1 | -52.8 | 173.9 | -72.5 | 0 | 0 | 0 | 0 | 111.3 | C210 I211 F216 C217 E218 | C210-C214 PolarHBondContact O-N 2.7Å; C210-C214 PolarHBondContact O-SG 3.09Å; C210-C214 VanDerWaalsContact O-SG 3.34Å; I211-C214 PolarHBondContact O-N 3.06Å; C214-F216 VanDerWaalsContact C-N 3.26Å; C214-F216 PolarHBondContact O-N 3.33Å; C214-C217 PolarHBondContact O-N 2.99Å; C214-E218 WeakPolarHBondContact O-CB 3.36Å; C214-E218 WeakPolarHBondContact O-CG 3.44Å; C214-E218 PolarHBondContact O-N 3.37Å |
| 215 | L | 69.8 | Low | 57.7 | Low | 66 Ų | 66 | 85.2 Ų | 85.2 | 35% | 0.346 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -57.1 | -38.6 | 176.3 | -68.8 | 172.1 | 0 | 0 | 0 | 112 | I211 F219 | I211-L215 HydrophobicContact CG2-CD1 3.96Å; I211-L215 HydrophobicContact CG2-CG 4.43Å; I211-L215 WeakPolarHBondContact O-CG 3.46Å; I211-L215 PolarHBondContact O-N 2.97Å; L215-F219 WeakPolarHBondContact O-CB 3.49Å; L215-F219 PolarHBondContact O-N 3.07Å |
| 216 | F | 64 | Low | 58.4 | Low | 124 Ų | 124 | 85 Ų | 85 | 54% | 0.544 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -70.4 | -38 | 175.1 | -177.8 | -111.2 | 0 | 0 | 0 | 113 | L212 A213 C214 L220 | L212-F216 WeakPolarHBondContact O-CB 3.31Å; L212-F216 PolarHBondContact O-N 3.02Å; A213-F216 PolarHBondContact O-N 2.85Å; C214-F216 VanDerWaalsContact C-N 3.26Å; C214-F216 PolarHBondContact O-N 3.33Å; F216-L220 HydrophobicContact CD1-CD1 3.93Å; F216-L220 HydrophobicContact CD1-CG 4.46Å; F216-L220 HydrophobicContact CD2-CG 4.48Å; F216-L220 HydrophobicContact CE1-CD1 3.41Å; F216-L220 VanDerWaalsContact CE1-CD1 3.41Å; F216-L220 HydrophobicContact CE1-CG 4.14Å; F216-L220 HydrophobicContact CE2-CD1 4.27Å; F216-L220 HydrophobicContact CE2-CD2 4.45Å; F216-L220 HydrophobicContact CE2-CG 4.15Å; F216-L220 HydrophobicContact CZ-CD1 3.61Å; F216-L220 HydrophobicContact CZ-CD2 4.31Å; F216-L220 HydrophobicContact CZ-CG 3.98Å; F216-L220 VanDerWaalsContact O-CB 3.26Å; F216-L220 WeakPolarHBondContact O-CB 3.39Å; F216-L220 VanDerWaalsContact O-CG 3.29Å; F216-L220 WeakPolarHBondContact O-CG 3.5Å; F216-L220 PolarHBondContact O-N 3.26Å |
| 217 | C | 51 | Low | 59.2 | Low | 75 Ų | 75 | 86.6 Ų | 86.6 | 51% | 0.507 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.9 | -39.9 | 174.6 | -80.7 | 0 | 0 | 0 | 0 | 112.5 | A213 C214 T221 | A213-C217 WeakPolarHBondContact O-CB 3.49Å; A213-C217 PolarHBondContact O-N 3.06Å; A213-C217 PolarHBondContact O-SG 3.37Å; A213-C217 VanDerWaalsContact O-SG 3.41Å; C214-C217 PolarHBondContact O-N 2.99Å; C217-T221 WeakPolarHBondContact O-CB 3.5Å; C217-T221 PolarHBondContact O-N 3.24Å; C217-T221 PolarHBondContact O-OG1 3.34Å |
| 218 | E | 67.1 | Low | 59.5 | Low | 118 Ų | 118 | 88.3 Ų | 88.3 | 55% | 0.551 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -69.7 | -43.6 | 175.8 | -72.3 | 164 | -144.6 | 0 | 0 | 110.8 | C214 T221 L222 | C214-E218 WeakPolarHBondContact O-CB 3.36Å; C214-E218 WeakPolarHBondContact O-CG 3.44Å; C214-E218 PolarHBondContact O-N 3.37Å; E218-T221 WeakPolarHBondContact O-CB 3.39Å; E218-T221 PolarHBondContact O-N 2.83Å; E218-T221 VanDerWaalsContact O-N 3.15Å; E218-L222 WeakPolarHBondContact O-CB 3.47Å; E218-L222 PolarHBondContact O-N 2.89Å |
| 219 | F | 68.4 | Low | 59.2 | Low | 126 Ų | 126 | 87 Ų | 87 | 55% | 0.553 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.9 | -42.6 | 172.1 | -179.5 | -101.2 | 0 | 0 | 0 | 112.3 | L215 T221 L222 C223 | L215-F219 WeakPolarHBondContact O-CB 3.49Å; L215-F219 PolarHBondContact O-N 3.07Å; F219-T221 VanDerWaalsContact C-N 3.31Å; F219-T221 PolarHBondContact O-N 3.05Å; F219-L222 PolarHBondContact O-N 3.21Å; F219-C223 VanDerWaalsContact CE1-SG 3.51Å; F219-C223 WeakPolarHBondContact CZ-SG 3.36Å; F219-C223 WeakPolarHBondContact O-CB 3.49Å; F219-C223 PolarHBondContact O-N 3.41Å; F219-C223 PolarHBondContact O-SG 3.42Å; F219-C223 VanDerWaalsContact O-SG 3.41Å |
| 220 | L | 67.6 | Low | 59.3 | Low | 70 Ų | 70 | 84.8 Ų | 84.8 | 37% | 0.366 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.8 | -36.9 | 172.8 | -80.6 | -178.7 | 0 | 0 | 0 | 111.9 | F216 C223 N224 | F216-L220 HydrophobicContact CD1-CD1 3.93Å; F216-L220 HydrophobicContact CD1-CG 4.46Å; F216-L220 HydrophobicContact CD2-CG 4.48Å; F216-L220 HydrophobicContact CE1-CD1 3.41Å; F216-L220 VanDerWaalsContact CE1-CD1 3.41Å; F216-L220 HydrophobicContact CE1-CG 4.14Å; F216-L220 HydrophobicContact CE2-CD1 4.27Å; F216-L220 HydrophobicContact CE2-CD2 4.45Å; F216-L220 HydrophobicContact CE2-CG 4.15Å; F216-L220 HydrophobicContact CZ-CD1 3.61Å; F216-L220 HydrophobicContact CZ-CD2 4.31Å; F216-L220 HydrophobicContact CZ-CG 3.98Å; F216-L220 VanDerWaalsContact O-CB 3.26Å; F216-L220 WeakPolarHBondContact O-CB 3.39Å; F216-L220 VanDerWaalsContact O-CG 3.29Å; F216-L220 WeakPolarHBondContact O-CG 3.5Å; F216-L220 PolarHBondContact O-N 3.26Å; L220-C223 PolarHBondContact O-N 3.31Å; L220-N224 WeakPolarHBondContact O-CB 3.19Å; L220-N224 PolarHBondContact O-N 2.85Å; L220-N224 PolarHBondContact O-ND2 3.02Å |
| 221 | T | 66.8 | Low | 59.4 | Low | 70 Ų | 70 | 85.5 Ų | 85.5 | 43% | 0.429 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.7 | -47.5 | 176.1 | -58.7 | 0 | 0 | 0 | 0 | 110.2 | C217 E218 F219 C223 N224 I225 | C217-T221 WeakPolarHBondContact O-CB 3.5Å; C217-T221 PolarHBondContact O-N 3.24Å; C217-T221 PolarHBondContact O-OG1 3.34Å; E218-T221 WeakPolarHBondContact O-CB 3.39Å; E218-T221 PolarHBondContact O-N 2.83Å; E218-T221 VanDerWaalsContact O-N 3.15Å; F219-T221 VanDerWaalsContact C-N 3.31Å; F219-T221 PolarHBondContact O-N 3.05Å; T221-C223 PolarHBondContact O-N 3.26Å; T221-N224 PolarHBondContact O-N 3.29Å; T221-I225 HydrophobicContact CG2-CD1 4.1Å; T221-I225 WeakPolarHBondContact O-CG1 3.19Å; T221-I225 PolarHBondContact O-N 2.97Å |
| 222 | L | 62.7 | Low | 58.5 | Low | 100 Ų | 100 | 83.6 Ų | 83.6 | 52% | 0.524 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 174 | -177.3 | 61.6 | 0 | 0 | 0 | 112.3 | E218 F219 N224 I225 V226 | E218-L222 WeakPolarHBondContact O-CB 3.47Å; E218-L222 PolarHBondContact O-N 2.89Å; F219-L222 PolarHBondContact O-N 3.21Å; L222-N224 VanDerWaalsContact C-N 3.35Å; L222-N224 PolarHBondContact O-N 2.9Å; L222-I225 PolarHBondContact O-N 2.89Å; L222-V226 HydrophobicContact CD1-CG2 4.26Å; L222-V226 HydrophobicContact CG-CG2 4.45Å; L222-V226 WeakPolarHBondContact O-CB 3.42Å; L222-V226 VanDerWaalsContact O-CG2 3.3Å; L222-V226 WeakPolarHBondContact O-CG2 3.37Å; L222-V226 PolarHBondContact O-N 2.99Å |
| 223 | C | 58.8 | Low | 57.3 | Low | 53 Ų | 53 | 82.4 Ų | 82.4 | 36% | 0.358 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.8 | -34.3 | 174.7 | -78.9 | 0 | 0 | 0 | 0 | 112.9 | F219 L220 T221 L227 | F219-C223 VanDerWaalsContact CE1-SG 3.51Å; F219-C223 WeakPolarHBondContact CZ-SG 3.36Å; F219-C223 WeakPolarHBondContact O-CB 3.49Å; F219-C223 PolarHBondContact O-N 3.41Å; F219-C223 PolarHBondContact O-SG 3.42Å; F219-C223 VanDerWaalsContact O-SG 3.41Å; L220-C223 PolarHBondContact O-N 3.31Å; T221-C223 PolarHBondContact O-N 3.26Å; C223-L227 WeakPolarHBondContact O-CB 3.44Å; C223-L227 PolarHBondContact O-N 3.4Å |
| 224 | N | 52.5 | Low | 57 | Low | 101 Ų | 101 | 85.1 Ų | 85.1 | 54% | 0.54 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.5 | -39.2 | 172.6 | -79 | -70.3 | 0 | 0 | 0 | 111 | L220 T221 L222 L227 D228 | L220-N224 WeakPolarHBondContact O-CB 3.19Å; L220-N224 PolarHBondContact O-N 2.85Å; L220-N224 PolarHBondContact O-ND2 3.02Å; T221-N224 PolarHBondContact O-N 3.29Å; L222-N224 VanDerWaalsContact C-N 3.35Å; L222-N224 PolarHBondContact O-N 2.9Å; N224-L227 PolarHBondContact O-N 3.39Å; N224-D228 VanDerWaalsContact O-CB 3.26Å; N224-D228 WeakPolarHBondContact O-CB 3.14Å; N224-D228 PolarHBondContact O-N 3.08Å |
| 225 | I | 59.7 | Low | 56.6 | Low | 86 Ų | 86 | 86 Ų | 86 | 44% | 0.441 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.2 | -44.6 | 174.3 | -66.2 | 162.7 | 0 | 0 | 0 | 111.2 | T221 L222 D228 C229 | T221-I225 HydrophobicContact CG2-CD1 4.1Å; T221-I225 WeakPolarHBondContact O-CG1 3.19Å; T221-I225 PolarHBondContact O-N 2.97Å; L222-I225 PolarHBondContact O-N 2.89Å; I225-D228 PolarHBondContact O-N 3.41Å; I225-C229 WeakPolarHBondContact O-CB 3.37Å; I225-C229 PolarHBondContact O-N 3.11Å |
| 226 | V | 57.8 | Low | 55.3 | Low | 91 Ų | 91 | 87.8 Ų | 87.8 | 55% | 0.552 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.3 | -36.2 | 176.9 | 169.9 | 0 | 0 | 0 | 0 | 111.5 | L222 A230 | L222-V226 HydrophobicContact CD1-CG2 4.26Å; L222-V226 HydrophobicContact CG-CG2 4.45Å; L222-V226 WeakPolarHBondContact O-CB 3.42Å; L222-V226 VanDerWaalsContact O-CG2 3.3Å; L222-V226 WeakPolarHBondContact O-CG2 3.37Å; L222-V226 PolarHBondContact O-N 2.99Å; V226-A230 WeakPolarHBondContact O-CB 3.31Å; V226-A230 PolarHBondContact O-N 2.86Å |
| 227 | L | 59.4 | Low | 54.3 | Low | 104 Ų | 104 | 84.1 Ų | 84.1 | 55% | 0.545 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.9 | -44.9 | 172.3 | -178.8 | 60.4 | 0 | 0 | 0 | 110.6 | C223 N224 A230 T231 | C223-L227 WeakPolarHBondContact O-CB 3.44Å; C223-L227 PolarHBondContact O-N 3.4Å; N224-L227 PolarHBondContact O-N 3.39Å; L227-A230 CarbonylContact O-C 3.4Å; L227-A230 WeakPolarHBondContact O-CA 3.46Å; L227-A230 WeakPolarHBondContact O-CB 3.38Å; L227-A230 PolarHBondContact O-N 3.45Å; L227-T231 HydrophobicContact CD1-CG2 4.28Å; L227-T231 HydrophobicContact CG-CG2 4.34Å; L227-T231 WeakPolarHBondContact O-CG2 3.49Å; L227-T231 PolarHBondContact O-N 2.93Å |
| 228 | D | 50.8 | Low | 54.2 | Low | 104 Ų | 104 | 87.8 Ų | 87.8 | 56% | 0.556 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.8 | -46.8 | 178.2 | -164.6 | 66.6 | 0 | 0 | 0 | 111.2 | N224 I225 A230 T231 C232 | N224-D228 VanDerWaalsContact O-CB 3.26Å; N224-D228 WeakPolarHBondContact O-CB 3.14Å; N224-D228 PolarHBondContact O-N 3.08Å; I225-D228 PolarHBondContact O-N 3.41Å; D228-A230 PolarHBondContact O-N 3.31Å; D228-T231 CarbonylContact O-C 3.39Å; D228-T231 WeakPolarHBondContact O-CA 3.07Å; D228-T231 PolarHBondContact O-N 2.97Å; D228-T231 PolarHBondContact O-OG1 3.36Å; D228-C232 PolarHBondContact O-N 3.46Å |
| 229 | C | 50.2 | Low | 53.5 | Low | 45 Ų | 45 | 90 Ų | 90 | 30% | 0.304 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.1 | -13.8 | 170.9 | -71.8 | 0 | 0 | 0 | 0 | 114.3 | I225 C232 C244 | I225-C229 WeakPolarHBondContact O-CB 3.37Å; I225-C229 PolarHBondContact O-N 3.11Å; C229-C232 PolarHBondContact O-SG 3.48Å; C229-C244 HydrophobicContact CB-CB 4.4Å; C229-C244 WeakPolarHBondContact CB-SG 3.46Å; C229-C244 WeakPolarHBondContact SG-CB 3.36Å; C229-C244 CovalentContact SG-SG 2.05Å; C229-C244 PolarHBondContact SG-SG 3.45Å |
| 230 | A | 50.3 | Low | 52.7 | Low | 78 Ų | 78 | 89.3 Ų | 89.3 | 65% | 0.645 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -93 | -20.7 | 167 | 0 | 0 | 0 | 0 | 0 | 112.8 | V226 L227 D228 | V226-A230 WeakPolarHBondContact O-CB 3.31Å; V226-A230 PolarHBondContact O-N 2.86Å; L227-A230 CarbonylContact O-C 3.4Å; L227-A230 WeakPolarHBondContact O-CA 3.46Å; L227-A230 WeakPolarHBondContact O-CB 3.38Å; L227-A230 PolarHBondContact O-N 3.45Å; D228-A230 PolarHBondContact O-N 3.31Å |
| 231 | T | 50.8 | Low | 51.8 | Low | 90 Ų | 90 | 89 Ų | 89 | 55% | 0.552 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -90.8 | -14.8 | 172.2 | 76.3 | 0 | 0 | 0 | 0 | 113.9 | L227 D228 G233 | L227-T231 HydrophobicContact CD1-CG2 4.28Å; L227-T231 HydrophobicContact CG-CG2 4.34Å; L227-T231 WeakPolarHBondContact O-CG2 3.49Å; L227-T231 PolarHBondContact O-N 2.93Å; D228-T231 CarbonylContact O-C 3.39Å; D228-T231 WeakPolarHBondContact O-CA 3.07Å; D228-T231 PolarHBondContact O-N 2.97Å; D228-T231 PolarHBondContact O-OG1 3.36Å; T231-G233 WeakPolarHBondContact O-CA 2.99Å; T231-G233 PolarHBondContact O-N 3.38Å |
| 232 | C | 46.4 | Very low | 51 | Low | 57 Ų | 57 | 95.2 Ų | 95.2 | 39% | 0.385 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -68.2 | 79.8 | 170.1 | 75.8 | 0 | 0 | 0 | 0 | 108.5 | D228 C229 S234 | D228-C232 PolarHBondContact O-N 3.46Å; C229-C232 PolarHBondContact O-SG 3.48Å; C232-S234 PolarHBondContact O-N 2.85Å |
| 233 | G | 43.1 | Very low | 50.2 | Low | 63 Ų | 63 | 93.1 Ų | 93.1 | 65% | 0.649 | 59% | 0.586 | S | S | * | * | | | trans | -68.5 | 119 | -150.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | T231 | T231-G233 WeakPolarHBondContact O-CA 2.99Å; T231-G233 PolarHBondContact O-N 3.38Å |
| 234 | S | 46.8 | Very low | 49.3 | Very low | 108 Ų | 108 | 93.8 Ų | 93.8 | 76% | 0.755 | 59% | 0.59 | S | S | * | * | | | trans | 30.6 | 92.6 | 158.4 | -168.9 | 0 | 0 | 0 | 0 | 114.6 | C232 A236 | C232-S234 PolarHBondContact O-N 2.85Å; S234-A236 VanDerWaalsContact C-N 3.26Å; S234-A236 PolarHBondContact O-N 2.72Å |
| 235 | C | 43.5 | Very low | 49.2 | Very low | 77 Ų | 77 | 92.8 Ų | 92.8 | 52% | 0.52 | 59% | 0.59 | S | S | . | * | | | trans | -53.1 | 90.8 | 161 | -70.3 | 0 | 0 | 0 | 0 | 110.2 | G237 C241 | C235-G237 PolarHBondContact O-N 3.15Å; C235-C241 HydrophobicContact CB-CB 3.2Å; C235-C241 WeakPolarHBondContact CB-SG 3.36Å; C235-C241 WeakPolarHBondContact SG-CB 3.08Å; C235-C241 CovalentContact SG-SG 2.04Å; C235-C241 PolarHBondContact SG-SG 3.47Å |
| 236 | A | 43 | Very low | 48.8 | Very low | 104 Ų | 104 | 91.1 Ų | 91.1 | 86% | 0.86 | 59% | 0.586 | S | S | * | * | | | trans | -82.6 | 47.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | S234 | S234-A236 VanDerWaalsContact C-N 3.26Å; S234-A236 PolarHBondContact O-N 2.72Å |
| 237 | G | 44.3 | Very low | 48.2 | Very low | 46 Ų | 46 | 92.3 Ų | 92.3 | 47% | 0.474 | 61% | 0.605 | S | S | . | * | S | Bend | trans | -133.9 | 130.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109 | C235 | C235-G237 PolarHBondContact O-N 3.15Š|
| 238 | D | 49 | Very low | 47.3 | Very low | 152 Ų | 152 | 91.8 Ų | 91.8 | 81% | 0.813 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -65.6 | 148.7 | -175.2 | 22.1 | -52.4 | 0 | 0 | 0 | 113.4 | S240 | D238-S240 PolarHBondContact O-N 2.87Š|
| 239 | D | 50.8 | Low | 47.1 | Very low | 164 Ų | 164 | 96.2 Ų | 96.2 | 88% | 0.877 | 63% | 0.628 | S | S | * | * | S | Bend | trans | 71.6 | -6.4 | 164 | -60.9 | -17.8 | 0 | 0 | 0 | 122 | | |
| 240 | S | 51.4 | Low | 47.1 | Very low | 112 Ų | 112 | 102.8 Ų | 102.8 | 78% | 0.783 | 65% | 0.654 | S | S | * | * | | | trans | -161.3 | 103.6 | 152.8 | 63.3 | 0 | 0 | 0 | 0 | 116.4 | D238 | D238-S240 PolarHBondContact O-N 2.87Š|
| 241 | C | 48.7 | Very low | 46.9 | Very low | 64 Ų | 64 | 102.5 Ų | 102.5 | 43% | 0.432 | 65% | 0.646 | S | S | . | * | | | trans | -156.1 | 125.1 | 154.8 | 168.6 | 0 | 0 | 0 | 0 | 111.2 | C235 | C235-C241 HydrophobicContact CB-CB 3.2Å; C235-C241 WeakPolarHBondContact CB-SG 3.36Å; C235-C241 WeakPolarHBondContact SG-CB 3.08Å; C235-C241 CovalentContact SG-SG 2.04Å; C235-C241 PolarHBondContact SG-SG 3.47Å |
| 242 | F | 50.1 | Low | 46.8 | Very low | 200 Ų | 200 | 101.5 Ų | 101.5 | 88% | 0.877 | 65% | 0.654 | S | S | * | * | | | trans | -141.9 | 92.2 | 163.1 | -149.8 | -92.5 | 0 | 0 | 0 | 107.6 | | |
| 243 | C | 46.6 | Very low | 46.9 | Very low | 57 Ų | 57 | 105.7 Ų | 105.7 | 39% | 0.385 | 67% | 0.672 | S | S | . | * | S | Bend | trans | -65.2 | 154.2 | 174.9 | -123.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 244 | C | 40.2 | Very low | 47.1 | Very low | 67 Ų | 67 | 107 Ų | 107 | 45% | 0.453 | 67% | 0.67 | S | S | . | * | S | Bend | cis | -119.7 | 128.7 | 11.4 | -71.6 | 0 | 0 | 0 | 0 | 110.7 | C229 | C229-C244 HydrophobicContact CB-CB 4.4Å; C229-C244 WeakPolarHBondContact CB-SG 3.46Å; C229-C244 WeakPolarHBondContact SG-CB 3.36Å; C229-C244 CovalentContact SG-SG 2.05Å; C229-C244 PolarHBondContact SG-SG 3.45Å |
| 245 | C | 50.9 | Low | 47 | Very low | 79 Ų | 79 | 108.9 Ų | 108.9 | 53% | 0.534 | 67% | 0.672 | S | S | . | * | S | Bend | cis | -139.5 | 99.2 | -7.1 | -68 | 0 | 0 | 0 | 0 | 108.8 | | |
| 246 | C | 51.2 | Low | 47.1 | Very low | 51 Ų | 51 | 112 Ų | 112 | 35% | 0.345 | 68% | 0.683 | S | S | . | * | | | trans | 57 | 80.5 | 179.2 | -45.4 | 0 | 0 | 0 | 0 | 116.7 | S248 C251 | C246-S248 PolarHBondContact O-N 2.87Å; C246-C251 HydrophobicContact CB-CB 3.31Å; C246-C251 WeakPolarHBondContact CB-SG 3.29Å; C246-C251 WeakPolarHBondContact SG-CB 3.26Å; C246-C251 CovalentContact SG-SG 2.03Å; C246-C251 PolarHBondContact SG-SG 2.83Å |
| 247 | A | 43.8 | Very low | 47.2 | Very low | 116 Ų | 116 | 112.2 Ų | 112.2 | 96% | 0.959 | 68% | 0.676 | S | S | * | * | | | trans | -77.4 | 37.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 248 | S | 41.3 | Very low | 47.3 | Very low | 93 Ų | 93 | 114.9 Ų | 114.9 | 65% | 0.65 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -154.8 | 157.8 | 177.9 | -165 | 0 | 0 | 0 | 0 | 112.3 | C246 E250 | C246-S248 PolarHBondContact O-N 2.87Å; S248-E250 VanDerWaalsContact C-N 3.27Å; S248-E250 PolarHBondContact O-N 3.17Å |
| 249 | E | 47.3 | Very low | 47 | Very low | 198 Ų | 198 | 114.6 Ų | 114.6 | 93% | 0.925 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -74.6 | 10.3 | -160 | 64.1 | -160.5 | 87.6 | 0 | 0 | 117.5 | | |
| 250 | E | 48.7 | Very low | 46.9 | Very low | 182 Ų | 182 | 114.6 Ų | 114.6 | 85% | 0.85 | 68% | 0.681 | S | S | * | * | | | trans | -143.5 | 72.9 | -179.3 | -170.5 | 85.4 | 83.6 | 0 | 0 | 110.5 | S248 | S248-E250 VanDerWaalsContact C-N 3.27Å; S248-E250 PolarHBondContact O-N 3.17Å |
| 251 | C | 46.9 | Very low | 46.6 | Very low | 72 Ų | 72 | 114.4 Ų | 114.4 | 49% | 0.486 | 67% | 0.671 | S | S | . | * | | | trans | -111.4 | 110.7 | 168.7 | -130.6 | 0 | 0 | 0 | 0 | 110.5 | C246 D253 | C246-C251 HydrophobicContact CB-CB 3.31Å; C246-C251 WeakPolarHBondContact CB-SG 3.29Å; C246-C251 WeakPolarHBondContact SG-CB 3.26Å; C246-C251 CovalentContact SG-SG 2.03Å; C246-C251 PolarHBondContact SG-SG 2.83Å; C251-D253 PolarHBondContact O-N 3.13Å |
| 252 | G | 48.6 | Very low | 46.4 | Very low | 70 Ų | 70 | 116.1 Ų | 116.1 | 72% | 0.722 | 68% | 0.683 | S | S | * | * | | | trans | -78.4 | 119 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 253 | D | 48.5 | Very low | 46.1 | Very low | 144 Ų | 144 | 108.6 Ų | 108.6 | 77% | 0.77 | 66% | 0.661 | S | S | * | * | | | trans | 59.2 | 53.4 | 153.1 | -147 | 38.7 | 0 | 0 | 0 | 116.7 | C251 D255 | C251-D253 PolarHBondContact O-N 3.13Å; D253-D255 PolarHBondContact O-N 3.12Å |
| 254 | C | 48.1 | Very low | 46 | Very low | 90 Ų | 90 | 110.4 Ų | 110.4 | 61% | 0.608 | 67% | 0.666 | S | S | * | * | | | trans | -74.7 | 69 | 162.9 | -59.3 | 0 | 0 | 0 | 0 | 110.8 | L256 | C254-L256 PolarHBondContact O-N 3.24Š|
| 255 | D | 43.5 | Very low | 46 | Very low | 149 Ų | 149 | 113 Ų | 113 | 80% | 0.797 | 67% | 0.674 | S | S | * | * | | | trans | -76.3 | 60.3 | -177.8 | -163.2 | 9.8 | 0 | 0 | 0 | 112.6 | D253 | D253-D255 PolarHBondContact O-N 3.12Š|
| 256 | L | 45.5 | Very low | 45.5 | Very low | 141 Ų | 141 | 114.7 Ų | 114.7 | 74% | 0.738 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -142 | 134.6 | 171.7 | -168.9 | 72.8 | 0 | 0 | 0 | 107.7 | C254 C258 | C254-L256 PolarHBondContact O-N 3.24Å; L256-C258 PolarHBondContact O-N 2.87Å |
| 257 | P | 45.8 | Very low | 45 | Very low | 110 Ų | 110 | 115.3 Ų | 115.3 | 71% | 0.714 | 69% | 0.687 | S | S | * | * | | | trans | -70.5 | 100.8 | -172.6 | 27.3 | -34.7 | 0 | 0 | 0 | 111.7 | D259 | P257-D259 HydrophobicContact CB-CB 4.19Å; P257-D259 PolarHBondContact O-N 2.84Å |
| 258 | C | 45.6 | Very low | 44.7 | Very low | 101 Ų | 101 | 112.8 Ų | 112.8 | 68% | 0.682 | 66% | 0.662 | S | S | * | * | | | trans | -71.3 | 50.7 | 162.4 | -62.3 | 0 | 0 | 0 | 0 | 111.2 | L256 M260 | L256-C258 PolarHBondContact O-N 2.87Å; C258-M260 PolarHBondContact O-N 3.26Å |
| 259 | D | 44.4 | Very low | 44.7 | Very low | 146 Ų | 146 | 113.1 Ų | 113.1 | 78% | 0.781 | 66% | 0.663 | S | S | * | * | | | trans | -103.7 | 63.5 | -175.8 | -159.6 | 3.8 | 0 | 0 | 0 | 108.9 | P257 | P257-D259 HydrophobicContact CB-CB 4.19Å; P257-D259 PolarHBondContact O-N 2.84Å |
| 260 | M | 47.5 | Very low | 44.4 | Very low | 164 Ų | 164 | 112.2 Ų | 112.2 | 81% | 0.808 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -144 | 64 | -177.8 | -162.9 | 74.9 | 178.4 | 0 | 0 | 110.2 | C258 | C258-M260 PolarHBondContact O-N 3.26Š|
| 261 | D | 44.6 | Very low | 43.9 | Very low | 109 Ų | 109 | 105.3 Ų | 105.3 | 58% | 0.583 | 63% | 0.631 | S | S | * | * | | | trans | 50.1 | 67.9 | 160.8 | -67.3 | -58.4 | 0 | 0 | 0 | 118.5 | G263 I264 | D261-G263 PolarHBondContact O-N 3.04Å; D261-G263 VanDerWaalsContact O-N 3.09Å; D261-I264 HydrophobicContact CB-CD1 3.86Å; D261-I264 HydrophobicContact CB-CG1 3.98Å; D261-I264 WeakPolarHBondContact O-CB 3.3Å; D261-I264 PolarHBondContact O-N 2.92Å |
| 262 | C | 45.8 | Very low | 44.1 | Very low | 100 Ų | 100 | 105 Ų | 105 | 68% | 0.676 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | -17.4 | 152.3 | -62.8 | 0 | 0 | 0 | 0 | 112.5 | I264 I265 D266 | C262-I264 PolarHBondContact O-N 3.48Å; C262-I265 WeakPolarHBondContact O-CA 3.41Å; C262-I265 WeakPolarHBondContact O-CB 3.47Å; C262-I265 PolarHBondContact O-N 2.05Å; C262-D266 PolarHBondContact O-N 2.84Å; C262-D266 VanDerWaalsContact O-N 3.11Å |
| 263 | G | 43.7 | Very low | 43.8 | Very low | 41 Ų | 41 | 107 Ų | 107 | 42% | 0.423 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -61 | -20.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | D261 I265 A267 | D261-G263 PolarHBondContact O-N 3.04Å; D261-G263 VanDerWaalsContact O-N 3.09Å; G263-I265 VanDerWaalsContact C-N 3.3Å; G263-A267 VanDerWaalsContact O-CB 3.31Å; G263-A267 WeakPolarHBondContact O-CB 3.06Å; G263-A267 PolarHBondContact O-N 2.93Å |
| 264 | I | 44.5 | Very low | 43.8 | Very low | 95 Ų | 95 | 103.1 Ų | 103.1 | 49% | 0.487 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -65.3 | -38.2 | 169.1 | -67.7 | 163.6 | 0 | 0 | 0 | 110.2 | D261 C262 C268 | D261-I264 HydrophobicContact CB-CD1 3.86Å; D261-I264 HydrophobicContact CB-CG1 3.98Å; D261-I264 WeakPolarHBondContact O-CB 3.3Å; D261-I264 PolarHBondContact O-N 2.92Å; C262-I264 PolarHBondContact O-N 3.48Å; I264-C268 WeakPolarHBondContact O-CB 3.34Å; I264-C268 PolarHBondContact O-N 2.03Å; I264-C268 PolarHBondContact O-SG 2.95Å |
| 265 | I | 40.5 | Very low | 44 | Very low | 122 Ų | 122 | 103.8 Ų | 103.8 | 63% | 0.626 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -73.9 | -41.8 | 178 | -53.5 | 175.7 | 0 | 0 | 0 | 110 | C262 G263 C268 C269 | C262-I265 WeakPolarHBondContact O-CA 3.41Å; C262-I265 WeakPolarHBondContact O-CB 3.47Å; C262-I265 PolarHBondContact O-N 2.05Å; G263-I265 VanDerWaalsContact C-N 3.3Å; I265-C268 PolarHBondContact O-N 3.31Å; I265-C269 WeakPolarHBondContact O-CB 3.39Å; I265-C269 PolarHBondContact O-N 2.75Å |
| 266 | D | 39.7 | Very low | 44.7 | Very low | 114 Ų | 114 | 103 Ų | 103 | 61% | 0.61 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -60.8 | -49.2 | 179.1 | -153.9 | 42.1 | 0 | 0 | 0 | 111.4 | C262 C268 C269 E270 | C262-D266 PolarHBondContact O-N 2.84Å; C262-D266 VanDerWaalsContact O-N 3.11Å; D266-C268 PolarHBondContact O-N 3.28Å; D266-C269 PolarHBondContact O-N 3.18Å; D266-E270 PolarHBondContact O-N 2.86Å |
| 267 | A | 40.5 | Very low | 45.2 | Very low | 65 Ų | 65 | 100.7 Ų | 100.7 | 54% | 0.537 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.5 | -39.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | G263 C269 S271 | G263-A267 VanDerWaalsContact O-CB 3.31Å; G263-A267 WeakPolarHBondContact O-CB 3.06Å; G263-A267 PolarHBondContact O-N 2.93Å; A267-C269 VanDerWaalsContact C-N 3.3Å; A267-S271 PolarHBondContact O-OG 3.46Å |
| 268 | C | 37.8 | Very low | 45.5 | Very low | 63 Ų | 63 | 97.8 Ų | 97.8 | 43% | 0.426 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -75.9 | -15.1 | 175.4 | -71.7 | 0 | 0 | 0 | 0 | 113.9 | I264 I265 D266 | I264-C268 WeakPolarHBondContact O-CB 3.34Å; I264-C268 PolarHBondContact O-N 2.03Å; I264-C268 PolarHBondContact O-SG 2.95Å; I265-C268 PolarHBondContact O-N 3.31Å; D266-C268 PolarHBondContact O-N 3.28Å |
| 269 | C | 40.8 | Very low | 46.1 | Very low | 100 Ų | 100 | 99.3 Ų | 99.3 | 68% | 0.676 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -93.4 | -31.9 | -179.3 | -165.4 | 0 | 0 | 0 | 0 | 112.6 | I265 D266 A267 | I265-C269 WeakPolarHBondContact O-CB 3.39Å; I265-C269 PolarHBondContact O-N 2.75Å; D266-C269 PolarHBondContact O-N 3.18Å; A267-C269 VanDerWaalsContact C-N 3.3Å |
| 270 | E | 40.9 | Very low | 46.6 | Very low | 179 Ų | 179 | 97.7 Ų | 97.7 | 84% | 0.836 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -73.1 | -28.8 | 176 | -166.9 | 168.6 | 168.3 | 0 | 0 | 112.7 | D266 | D266-E270 PolarHBondContact O-N 2.86Å |
| 271 | S | 38.5 | Very low | 46.7 | Very low | 37 Ų | 37 | 92.3 Ų | 92.3 | 26% | 0.259 | 53% | 0.533 | S | S | . | . | | | trans | -106.4 | 87.1 | 176.5 | 57.7 | 0 | 0 | 0 | 0 | 113.1 | A267 D273 C274 | A267-S271 PolarHBondContact O-OG 3.46Å; S271-D273 PolarHBondContact O-N 2.96Å; S271-C274 WeakPolarHBondContact O-CB 3.22Å; S271-C274 PolarHBondContact O-N 3.5Å; S271-C274 PolarHBondContact OG-SG 3.42Å; S271-C274 VanDerWaalsContact OG-SG 3.33Å |
| 272 | A | 50.5 | Low | 46.9 | Very low | 66 Ų | 66 | 90.8 Ų | 90.8 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -54.9 | -34.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | C274 L275 E276 | A272-C274 PolarHBondContact O-N 2.81Å; A272-C274 VanDerWaalsContact O-N 3.14Å; A272-L275 PolarHBondContact O-N 3.41Å; A272-L275 VanDerWaalsContact O-N 3.08Å; A272-E276 PolarHBondContact O-N 2.78Å; A272-E276 VanDerWaalsContact O-N 3.1Å |
| 273 | D | 43.2 | Very low | 47.1 | Very low | 112 Ų | 112 | 89.3 Ų | 89.3 | 60% | 0.599 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -52.2 | -32.5 | 175.2 | -50.9 | -115.2 | 0 | 0 | 0 | 112.9 | S271 E276 I277 | S271-D273 PolarHBondContact O-N 2.96Å; D273-E276 PolarHBondContact O-N 3.22Å; D273-I277 WeakPolarHBondContact O-CB 3.26Å; D273-I277 PolarHBondContact O-N 2.76Å |
| 274 | C | 48.7 | Very low | 47.6 | Very low | 61 Ų | 61 | 92.9 Ų | 92.9 | 41% | 0.412 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -72.4 | -37 | 179.7 | -70.4 | 0 | 0 | 0 | 0 | 112.6 | S271 A272 C278 | S271-C274 WeakPolarHBondContact O-CB 3.22Å; S271-C274 PolarHBondContact O-N 3.5Å; S271-C274 PolarHBondContact OG-SG 3.42Å; S271-C274 VanDerWaalsContact OG-SG 3.33Å; A272-C274 PolarHBondContact O-N 2.81Å; A272-C274 VanDerWaalsContact O-N 3.14Å; C274-C278 VanDerWaalsContact O-CB 3.31Å; C274-C278 WeakPolarHBondContact O-CB 3.11Å; C274-C278 PolarHBondContact O-N 3.01Å; C274-C278 PolarHBondContact O-SG 2.79Å |
| 275 | L | 51.6 | Low | 47.6 | Very low | 104 Ų | 104 | 92.8 Ų | 92.8 | 55% | 0.545 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -72.6 | -33.9 | 173.9 | -66.6 | 176.5 | 0 | 0 | 0 | 111.2 | A272 M279 | A272-L275 PolarHBondContact O-N 3.41Å; A272-L275 VanDerWaalsContact O-N 3.08Å; L275-M279 WeakPolarHBondContact O-CG 3.4Å; L275-M279 PolarHBondContact O-N 2.8Å |
| 276 | E | 59.4 | Low | 47.5 | Very low | 133 Ų | 133 | 95.7 Ų | 95.7 | 62% | 0.621 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.9 | -50.3 | 173.8 | -168.4 | 161.2 | -162.3 | 0 | 0 | 111.4 | A272 D273 C278 M279 E280 | A272-E276 PolarHBondContact O-N 2.78Å; A272-E276 VanDerWaalsContact O-N 3.1Å; D273-E276 PolarHBondContact O-N 3.22Å; E276-C278 VanDerWaalsContact C-N 3.35Å; E276-C278 PolarHBondContact O-N 2.89Å; E276-M279 PolarHBondContact O-N 2.98Å; E276-E280 WeakPolarHBondContact O-CB 3.38Å; E276-E280 PolarHBondContact O-N 3.19Å |
| 277 | I | 54.2 | Low | 47.5 | Very low | 92 Ų | 92 | 95 Ų | 95 | 47% | 0.472 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -58.6 | -43.2 | 174.1 | -105.9 | 63.9 | 0 | 0 | 0 | 111.8 | D273 M279 E280 C281 | D273-I277 WeakPolarHBondContact O-CB 3.26Å; D273-I277 PolarHBondContact O-N 2.76Å; I277-M279 PolarHBondContact O-N 3.43Å; I277-E280 PolarHBondContact O-N 3.42Å; I277-C281 WeakPolarHBondContact O-CB 3.03Å; I277-C281 PolarHBondContact O-N 3.28Å; I277-C281 PolarHBondContact O-SG 2.84Å; I277-C281 VanDerWaalsContact O-SG 3.34Å |
| 278 | C | 53.2 | Low | 47.5 | Very low | 49 Ų | 49 | 100.5 Ų | 100.5 | 33% | 0.331 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.6 | -36.7 | -179.8 | -77.7 | 0 | 0 | 0 | 0 | 112.2 | C274 E276 C282 | C274-C278 VanDerWaalsContact O-CB 3.31Å; C274-C278 WeakPolarHBondContact O-CB 3.11Å; C274-C278 PolarHBondContact O-N 3.01Å; C274-C278 PolarHBondContact O-SG 2.79Å; E276-C278 VanDerWaalsContact C-N 3.35Å; E276-C278 PolarHBondContact O-N 2.89Å; C278-C282 WeakPolarHBondContact O-CB 3.47Å; C278-C282 PolarHBondContact O-N 2.75Å; C278-C282 PolarHBondContact O-SG 3.24Å |
| 279 | M | 57.1 | Low | 48 | Very low | 134 Ų | 134 | 102.4 Ų | 102.4 | 66% | 0.66 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -71 | -39.2 | 173.5 | -72.1 | -170.8 | -61.6 | 0 | 0 | 112.4 | L275 E276 I277 C282 S283 | L275-M279 WeakPolarHBondContact O-CG 3.4Å; L275-M279 PolarHBondContact O-N 2.8Å; E276-M279 PolarHBondContact O-N 2.98Å; I277-M279 PolarHBondContact O-N 3.43Å; M279-C282 PolarHBondContact O-N 3.02Å; M279-S283 PolarHBondContact O-N 2.85Å |
| 280 | E | 56.1 | Low | 48.4 | Very low | 112 Ų | 112 | 102.5 Ų | 102.5 | 52% | 0.523 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.7 | -51.2 | 174.9 | -172.6 | 173.6 | -150.5 | 0 | 0 | 110.7 | E276 I277 C282 S283 L284 | E276-E280 WeakPolarHBondContact O-CB 3.38Å; E276-E280 PolarHBondContact O-N 3.19Å; I277-E280 PolarHBondContact O-N 3.42Å; E280-C282 VanDerWaalsContact C-N 3.34Å; E280-C282 PolarHBondContact O-N 2.87Å; E280-S283 PolarHBondContact O-N 2.04Å; E280-S283 PolarHBondContact O-OG 3.21Å; E280-L284 HydrophobicContact CG-CD1 4.38Å; E280-L284 WeakPolarHBondContact O-CG 3.34Å; E280-L284 PolarHBondContact O-N 2.73Å |
| 281 | C | 48.5 | Very low | 48.8 | Very low | 50 Ų | 50 | 98.2 Ų | 98.2 | 34% | 0.338 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -58.4 | -41.3 | 174.7 | -69.2 | 0 | 0 | 0 | 0 | 112.6 | I277 S283 L284 C285 | I277-C281 WeakPolarHBondContact O-CB 3.03Å; I277-C281 PolarHBondContact O-N 3.28Å; I277-C281 PolarHBondContact O-SG 2.84Å; I277-C281 VanDerWaalsContact O-SG 3.34Å; C281-S283 VanDerWaalsContact C-N 3.31Å; C281-S283 PolarHBondContact O-N 3.4Å; C281-L284 PolarHBondContact O-N 3.33Å; C281-C285 WeakPolarHBondContact O-CB 2.98Å; C281-C285 PolarHBondContact O-N 3.11Å; C281-C285 PolarHBondContact O-SG 3.22Å; C281-C285 VanDerWaalsContact O-SG 3.4Å |
| 282 | C | 49.4 | Very low | 49.4 | Very low | 77 Ų | 77 | 101.8 Ų | 101.8 | 52% | 0.52 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61 | -38.8 | 174.2 | -73.9 | 0 | 0 | 0 | 0 | 112.5 | C278 M279 E280 C285 F286 | C278-C282 WeakPolarHBondContact O-CB 3.47Å; C278-C282 PolarHBondContact O-N 2.75Å; C278-C282 PolarHBondContact O-SG 3.24Å; M279-C282 PolarHBondContact O-N 3.02Å; E280-C282 VanDerWaalsContact C-N 3.34Å; E280-C282 PolarHBondContact O-N 2.87Å; C282-C285 PolarHBondContact O-N 3.35Å; C282-F286 PolarHBondContact O-N 2.97Å; C282-F286 VanDerWaalsContact O-N 3.08Å |
| 283 | S | 50.7 | Low | 49.4 | Very low | 69 Ų | 69 | 104.1 Ų | 104.1 | 48% | 0.483 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.9 | -35.3 | 178.3 | 77.7 | 0 | 0 | 0 | 0 | 112.9 | M279 E280 C281 S287 | M279-S283 PolarHBondContact O-N 2.85Å; E280-S283 PolarHBondContact O-N 2.04Å; E280-S283 PolarHBondContact O-OG 3.21Å; C281-S283 VanDerWaalsContact C-N 3.31Å; C281-S283 PolarHBondContact O-N 3.4Å; S283-S287 PolarHBondContact O-OG 3.49Å |
| 284 | L | 54.8 | Low | 49.8 | Very low | 117 Ų | 117 | 103.5 Ų | 103.5 | 61% | 0.613 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -71.5 | -41.9 | 175.1 | -65.2 | 171.1 | 0 | 0 | 0 | 111.4 | E280 C281 F286 S287 | E280-L284 HydrophobicContact CG-CD1 4.38Å; E280-L284 WeakPolarHBondContact O-CG 3.34Å; E280-L284 PolarHBondContact O-N 2.73Å; C281-L284 PolarHBondContact O-N 3.33Å; L284-F286 VanDerWaalsContact C-N 3.34Å; L284-F286 PolarHBondContact O-N 3.31Å; L284-S287 PolarHBondContact O-N 3.14Å |
| 285 | C | 43.3 | Very low | 49.9 | Very low | 93 Ų | 93 | 106.6 Ų | 106.6 | 63% | 0.628 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -74.4 | -17.8 | 179.9 | -69.3 | 0 | 0 | 0 | 0 | 114.7 | C281 C282 | C281-C285 WeakPolarHBondContact O-CB 2.98Å; C281-C285 PolarHBondContact O-N 3.11Å; C281-C285 PolarHBondContact O-SG 3.22Å; C281-C285 VanDerWaalsContact O-SG 3.4Å; C282-C285 PolarHBondContact O-N 3.35Å |
| 286 | F | 39.7 | Very low | 49.7 | Very low | 183 Ų | 183 | 106.8 Ų | 106.8 | 80% | 0.803 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | 13.5 | 172.4 | -92.5 | -82.9 | 0 | 0 | 0 | 114.3 | C282 L284 S288 | C282-F286 PolarHBondContact O-N 2.97Å; C282-F286 VanDerWaalsContact O-N 3.08Å; L284-F286 VanDerWaalsContact C-N 3.34Å; L284-F286 PolarHBondContact O-N 3.31Å; F286-S288 VanDerWaalsContact C-N 3.27Å; F286-S288 PolarHBondContact O-N 3.38Å |
| 287 | S | 38.4 | Very low | 48.9 | Very low | 100 Ų | 100 | 104.6 Ų | 104.6 | 70% | 0.699 | 61% | 0.61 | S | S | * | * | | | trans | -86.4 | 59.4 | 171.2 | -66.9 | 0 | 0 | 0 | 0 | 112 | S283 L284 | S283-S287 PolarHBondContact O-OG 3.49Å; L284-S287 PolarHBondContact O-N 3.14Å |
| 288 | S | 41.8 | Very low | 48.4 | Very low | 179 Ų | 179 | 105.7 Ų | 105.7 | 100% | 1.252 | 62% | 0.623 | S | S | * | * | | | trans | -155.8 | 0 | 172.7 | -176.7 | 0 | 0 | 0 | 0 | 112.9 | F286 | F286-S288 VanDerWaalsContact C-N 3.27Å; F286-S288 PolarHBondContact O-N 3.38Å |