| 1 | M | 47.3 | Very low | 44.8 | Very low | 228 Ų | 228 | 160.2 Ų | 160.2 | 100% | 1.123 | 80% | 0.798 | S | S | * | * | | | | 0 | 86.9 | 0 | -91.5 | 170.6 | 162.9 | 0 | 0 | 104.1 | | |
| 2 | E | 37.9 | Very low | 44.3 | Very low | 179 Ų | 179 | 160.8 Ų | 160.8 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | | | trans | -158 | 143.9 | -178.1 | -77.1 | 110.4 | 101.6 | 0 | 0 | 106.1 | | |
| 3 | S | 37.3 | Very low | 43.5 | Very low | 104 Ų | 104 | 153.6 Ų | 153.6 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | cis | -172.8 | 124 | -13.3 | 48.7 | 0 | 0 | 0 | 0 | 104.2 | | |
| 4 | R | 47.1 | Very low | 43.2 | Very low | 218 Ų | 218 | 156.4 Ų | 156.4 | 82% | 0.823 | 80% | 0.804 | S | S | * | * | | | | 48.2 | 114.3 | 110.2 | -67.6 | -161.4 | 89.4 | 125.4 | 3.6 | 117.9 | | |
| 5 | D | 46.4 | Very low | 42.6 | Very low | 121 Ų | 121 | 153.4 Ų | 153.4 | 65% | 0.647 | 80% | 0.802 | S | S | * | * | | | trans | 70.4 | 101.9 | 135.5 | -56 | -54.5 | 0 | 0 | 0 | 118.9 | | |
| 6 | E | 49.9 | Very low | 42.1 | Very low | 182 Ų | 182 | 148.9 Ų | 148.9 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | | | trans | -135.9 | 128 | 143.5 | -155.2 | 174.4 | 92.2 | 0 | 0 | 109.3 | E8 | E6-E8 HydrophobicContact CG-CG 4.47Š|
| 7 | L | 49.6 | Very low | 41.7 | Very low | 134 Ų | 134 | 146.9 Ų | 146.9 | 70% | 0.702 | 79% | 0.789 | S | S | * | * | | | trans | -127.2 | 102.3 | -157.6 | -160.6 | 106 | 0 | 0 | 0 | 106.4 | | |
| 8 | E | 47.2 | Very low | 41.1 | Very low | 173 Ų | 173 | 146.5 Ų | 146.5 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | | | trans | -139.1 | 103.4 | -179.9 | -50.8 | -108.5 | 95.6 | 0 | 0 | 109.3 | E6 | E6-E8 HydrophobicContact CG-CG 4.47Š|
| 9 | H | 43.8 | Very low | 40.6 | Very low | 164 Ų | 164 | 151.1 Ų | 151.1 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | | | trans | -78.7 | 162 | 171.1 | -68.8 | -86.8 | 0 | 0 | 0 | 110.8 | | |
| 10 | P | 45.7 | Very low | 40.3 | Very low | 115 Ų | 115 | 151.8 Ų | 151.8 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | | | | -148.5 | 137.6 | 95 | 26.6 | -4.5 | 0 | 0 | 0 | 118.3 | | |
| 11 | L | 40.6 | Very low | 40.6 | Very low | 144 Ų | 144 | 149.8 Ų | 149.8 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | | | trans | 70.6 | 109.5 | 134.3 | -56 | 174.3 | 0 | 0 | 0 | 120.3 | | |
| 12 | L | 38.3 | Very low | 39.8 | Very low | 167 Ų | 167 | 144.8 Ų | 144.8 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | | | | 51.8 | 119.9 | 92.9 | -85.1 | 174.1 | 0 | 0 | 0 | 112.5 | | |
| 13 | G | 33.7 | Very low | 39.6 | Very low | 68 Ų | 68 | 139.5 Ų | 139.5 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | | | cis | 135 | 113 | 20.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 14 | E | 39.3 | Very low | 39.4 | Very low | 193 Ų | 193 | 143.3 Ų | 143.3 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | | | trans | -173 | 105.7 | 168.1 | -134.3 | 169 | 75.8 | 0 | 0 | 107.6 | | |
| 15 | S | 34.6 | Very low | 38.5 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | | | | 59.2 | 106.4 | 75.6 | -154.6 | 0 | 0 | 0 | 0 | 116.3 | | |
| 16 | A | 35.5 | Very low | 37.9 | Very low | 81 Ų | 81 | 139.3 Ų | 139.3 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | | | trans | 83.4 | 140.7 | 140.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 17 | T | 35 | Very low | 37 | Very low | 116 Ų | 116 | 138 Ų | 138 | 71% | 0.712 | 76% | 0.763 | S | S | * | * | | | trans | 83.3 | 102 | 141.1 | 3.7 | 0 | 0 | 0 | 0 | 119.4 | | |
| 18 | N | 29.6 | Very low | 36 | Very low | 139 Ų | 139 | 137.8 Ų | 137.8 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | | | | 46.9 | 120.4 | 121.5 | -59.8 | -31.7 | 0 | 0 | 0 | 120.2 | | |
| 19 | R | 32.2 | Very low | 35.3 | Very low | 234 Ų | 234 | 138 Ų | 138 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | | | | 146.7 | 108.4 | 118.4 | -79.5 | -169 | -83.3 | -125.2 | 4 | 109.9 | | |
| 20 | L | 35.6 | Very low | 34.9 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 86% | 0.859 | 76% | 0.763 | S | S | * | * | | | | 60.3 | 149.4 | 98.1 | -118.6 | 74.8 | 0 | 0 | 0 | 113.6 | | |
| 21 | P | 45.1 | Very low | 35.1 | Very low | 111 Ų | 111 | 134.7 Ų | 134.7 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | | | cis | -145.4 | 151.8 | 22.3 | 38.9 | -16.5 | 0 | 0 | 0 | 120.5 | | |
| 22 | S | 30.8 | Very low | 34.6 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | | | trans | -174.1 | 93.1 | 141.2 | -86.2 | 0 | 0 | 0 | 0 | 105.9 | | |
| 23 | G | 33.7 | Very low | 34.3 | Very low | 69 Ų | 69 | 130.1 Ų | 130.1 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | | | | 73.8 | 66.5 | 78.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 24 | Q | 34.1 | Very low | 34.8 | Very low | 184 Ų | 184 | 135.2 Ų | 135.2 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | | | | 55.3 | 131.2 | 102.1 | -68.8 | -163.7 | -41.7 | 0 | 0 | 113.1 | | |
| 25 | N | 28.4 | Very low | 34.4 | Very low | 117 Ų | 117 | 134 Ų | 134 | 63% | 0.626 | 77% | 0.765 | S | S | * | * | | | cis | -173.4 | 166.7 | 45 | -161.4 | 0.5 | 0 | 0 | 0 | 111.3 | | |
| 26 | Q | 33.9 | Very low | 34.4 | Very low | 137 Ų | 137 | 136.3 Ų | 136.3 | 64% | 0.64 | 76% | 0.761 | S | S | * | * | | | trans | 86.7 | 102.1 | 140.7 | -131.7 | 108.9 | 57.2 | 0 | 0 | 120.3 | | |
| 27 | Q | 29.4 | Very low | 34.4 | Very low | 156 Ų | 156 | 136.2 Ų | 136.2 | 73% | 0.729 | 77% | 0.768 | S | S | * | * | | | | 46.5 | 135 | 110.9 | -142.1 | 163.4 | 7.7 | 0 | 0 | 120.1 | | |
| 28 | N | 29.1 | Very low | 34.5 | Very low | 129 Ų | 129 | 138 Ų | 138 | 69% | 0.69 | 77% | 0.771 | S | S | * | * | | | trans | 101.8 | 127.4 | 154.5 | -82 | -7.1 | 0 | 0 | 0 | 121 | | |
| 29 | Q | 32 | Very low | 35 | Very low | 178 Ų | 178 | 139.2 Ų | 139.2 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | | | trans | 73.3 | 120.6 | 141.1 | -89.4 | 154.4 | -0.6 | 0 | 0 | 121 | | |
| 30 | A | 36.1 | Very low | 35.2 | Very low | 90 Ų | 90 | 133.9 Ų | 133.9 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | | | trans | -64.9 | 173.7 | 148.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 31 | P | 50.2 | Low | 35.1 | Very low | 119 Ų | 119 | 133.2 Ų | 133.2 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | | | cis | -135.9 | -161.8 | 6.2 | 35.4 | -12.7 | 0 | 0 | 0 | 113.7 | | |
| 32 | V | 30.7 | Very low | 34.6 | Very low | 145 Ų | 145 | 134 Ų | 134 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | | | trans | 108 | 112.2 | 160.4 | -167.4 | 0 | 0 | 0 | 0 | 116.1 | | |
| 33 | G | 30.4 | Very low | 34.7 | Very low | 69 Ų | 69 | 135 Ų | 135 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | | | trans | 132.6 | 117.1 | 136.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 34 | L | 44.6 | Very low | 35 | Very low | 176 Ų | 176 | 140.4 Ų | 140.4 | 92% | 0.921 | 77% | 0.765 | S | S | * | * | | | trans | 82.2 | 89.2 | 143.3 | -125.8 | 88.9 | 0 | 0 | 0 | 119.1 | | |
| 35 | F | 30.8 | Very low | 34.8 | Very low | 168 Ų | 168 | 138.3 Ų | 138.3 | 74% | 0.737 | 76% | 0.76 | S | S | * | * | | | | 81.8 | 112.4 | 67.5 | -131.9 | -110.9 | 0 | 0 | 0 | 117.2 | | |
| 36 | K | 34.3 | Very low | 35.5 | Very low | 159 Ų | 159 | 144 Ų | 144 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | | | trans | 70.6 | 125.2 | 144.4 | -81.8 | -173.6 | -176.5 | 169.3 | 0 | 122.5 | | |
| 37 | G | 36.1 | Very low | 35.7 | Very low | 78 Ų | 78 | 141.3 Ų | 141.3 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | trans | -169.1 | 49.1 | 155.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L39 | G37-L39 PolarHBondContact O-N 3.18Š|
| 38 | I | 38 | Very low | 36 | Very low | 154 Ų | 154 | 144.5 Ų | 144.5 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | | | trans | -76.6 | 101.9 | 169.7 | -69.3 | 161.3 | 0 | 0 | 0 | 107.2 | V40 | I38-V40 HydrophobicContact CG2-CG2 3.84Å; I38-V40 PolarHBondContact O-N 3.06Å |
| 39 | L | 39.5 | Very low | 36.6 | Very low | 164 Ų | 164 | 143.8 Ų | 143.8 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | | | trans | -89.3 | 88.1 | 171.4 | -165.5 | 120.5 | 0 | 0 | 0 | 108.1 | G37 K41 | G37-L39 PolarHBondContact O-N 3.18Å; L39-K41 PolarHBondContact O-N 3.45Å |
| 40 | V | 37 | Very low | 37 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 75% | 0.745 | 78% | 0.781 | S | S | * | * | | | trans | -82.4 | 106.9 | 165.1 | 165.4 | 0 | 0 | 0 | 0 | 107.7 | I38 C42 | I38-V40 HydrophobicContact CG2-CG2 3.84Å; I38-V40 PolarHBondContact O-N 3.06Å; V40-C42 PolarHBondContact O-N 3.46Å |
| 41 | K | 32.6 | Very low | 37.5 | Very low | 149 Ų | 149 | 145.5 Ų | 145.5 | 65% | 0.648 | 79% | 0.791 | S | S | * | * | | | trans | -57.6 | 115.6 | 167.7 | -177.6 | 177.5 | 171.9 | -169.6 | 0 | 109 | L39 E43 | L39-K41 PolarHBondContact O-N 3.45Å; K41-E43 WeakPolarHBondContact CE-OE2 3.39Å; K41-E43 IonicContact NZ-OE2 2.71Å; K41-E43 PolarHBondContact NZ-OE2 3.49Å; K41-E43 PolarHBondContact O-N 3.11Å |
| 42 | C | 35 | Very low | 37.4 | Very low | 128 Ų | 128 | 142.6 Ų | 142.6 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | | | trans | -79.4 | 94.6 | 171.9 | -155.3 | 0 | 0 | 0 | 0 | 107.6 | V40 | V40-C42 PolarHBondContact O-N 3.46Š|
| 43 | E | 33.9 | Very low | 37.5 | Very low | 142 Ų | 142 | 148.4 Ų | 148.4 | 66% | 0.664 | 79% | 0.789 | S | S | * | * | | | trans | -105.9 | 102.1 | 171.6 | -161.2 | 163.9 | 91.5 | 0 | 0 | 107.8 | K41 D45 | K41-E43 WeakPolarHBondContact CE-OE2 3.39Å; K41-E43 IonicContact NZ-OE2 2.71Å; K41-E43 PolarHBondContact NZ-OE2 3.49Å; K41-E43 PolarHBondContact O-N 3.11Å; E43-D45 PolarHBondContact O-N 3.47Å |
| 44 | E | 38.6 | Very low | 37.8 | Very low | 184 Ų | 184 | 156.9 Ų | 156.9 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | | | trans | -86.4 | 92.6 | 175.5 | -177.9 | 148.8 | 73.6 | 0 | 0 | 108.2 | | |
| 45 | D | 29.7 | Very low | 37.3 | Very low | 140 Ų | 140 | 151.2 Ų | 151.2 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | | | trans | -105.4 | 111.1 | 167.6 | -159.3 | -100.5 | 0 | 0 | 0 | 109.8 | E43 A47 | E43-D45 PolarHBondContact O-N 3.47Å; D45-A47 PolarHBondContact O-N 3.1Å |
| 46 | R | 44.4 | Very low | 37.5 | Very low | 235 Ų | 235 | 154.9 Ų | 154.9 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | | | trans | -66.4 | 103.8 | 172.5 | -89.4 | 177 | 155.4 | 153.9 | -4.9 | 109.6 | | |
| 47 | A | 37.1 | Very low | 37.8 | Very low | 82 Ų | 82 | 154 Ų | 154 | 68% | 0.678 | 81% | 0.807 | S | S | * | * | | | trans | -139.3 | 120 | 159.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | D45 | D45-A47 PolarHBondContact O-N 3.1Š|
| 48 | Y | 35.8 | Very low | 37.5 | Very low | 222 Ų | 222 | 153.7 Ų | 153.7 | 87% | 0.871 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 145.4 | 172.7 | -64.1 | -95.2 | 0 | 0 | 0 | 111.5 | | |
| 49 | P | 41.3 | Very low | 37.2 | Very low | 114 Ų | 114 | 155.5 Ų | 155.5 | 74% | 0.74 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 141.1 | 174.6 | 31.7 | -31.7 | 0 | 0 | 0 | 110.7 | | |
| 50 | P | 41 | Very low | 37.6 | Very low | 122 Ų | 122 | 152.6 Ų | 152.6 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 131.8 | 172.4 | 30.9 | -30.3 | 0 | 0 | 0 | 110.5 | G52 | P50-G52 PolarHBondContact O-N 3.14Š|
| 51 | L | 46.1 | Very low | 38.2 | Very low | 183 Ų | 183 | 152 Ų | 152 | 96% | 0.958 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 123.1 | 167.2 | -63.1 | 166.3 | 0 | 0 | 0 | 109.3 | | |
| 52 | G | 48.2 | Very low | 38.3 | Very low | 58 Ų | 58 | 153.5 Ų | 153.5 | 60% | 0.598 | 81% | 0.808 | S | S | * | * | | | trans | -178 | 61 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | P50 | P50-G52 PolarHBondContact O-N 3.14Š|
| 53 | W | 34.2 | Very low | 38.9 | Very low | 267 Ų | 267 | 155 Ų | 155 | 100% | 1.011 | 81% | 0.806 | S | S | * | * | | | trans | -136.7 | 82.5 | 162.8 | -54.6 | 83.9 | 0 | 0 | 0 | 109.4 | | |
| 54 | R | 34.8 | Very low | 38.9 | Very low | 247 Ų | 247 | 154.8 Ų | 154.8 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | | | trans | -112.1 | 123.9 | 163.6 | 173.8 | -175.9 | -97.1 | -101.1 | 2.6 | 107 | | |
| 55 | G | 34.3 | Very low | 39 | Very low | 57 Ų | 57 | 151.6 Ų | 151.6 | 59% | 0.588 | 80% | 0.797 | S | S | * | * | | | trans | 115.5 | 95.9 | 150.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 56 | Y | 35.2 | Very low | 39.3 | Very low | 245 Ų | 245 | 149.9 Ų | 149.9 | 96% | 0.961 | 80% | 0.803 | S | S | * | * | | | | -147.7 | 121.9 | 121.9 | -85 | -74.6 | 0 | 0 | 0 | 108 | | |
| 57 | C | 40.6 | Very low | 39.4 | Very low | 140 Ų | 140 | 144.1 Ų | 144.1 | 95% | 0.946 | 80% | 0.797 | S | S | * | * | | | trans | -113.5 | 146.5 | 171.1 | -80.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 58 | G | 30.8 | Very low | 39.3 | Very low | 72 Ų | 72 | 143.8 Ų | 143.8 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | | | trans | 131.1 | 118.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 59 | H | 31.3 | Very low | 39.4 | Very low | 191 Ų | 191 | 141 Ų | 141 | 88% | 0.884 | 79% | 0.794 | S | S | * | * | | | cis | -155.1 | 167.7 | 18 | -126.6 | -130.6 | 0 | 0 | 0 | 109.1 | | |
| 60 | P | 47.9 | Very low | 39.4 | Very low | 104 Ų | 104 | 140.2 Ų | 140.2 | 68% | 0.675 | 79% | 0.789 | S | S | * | * | | | trans | -103.3 | -160.6 | -171.3 | 42.1 | -32.5 | 0 | 0 | 0 | 112.1 | | |
| 61 | P | 50.4 | Low | 39.4 | Very low | 110 Ų | 110 | 146.5 Ų | 146.5 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | | | cis | -122.1 | 160.4 | -41.8 | 33.9 | -18.4 | 0 | 0 | 0 | 111.8 | | |
| 62 | E | 34.5 | Very low | 38.9 | Very low | 181 Ų | 181 | 142.6 Ų | 142.6 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | | | trans | -162.6 | 113.1 | 144.7 | -138 | 156.8 | 83.4 | 0 | 0 | 113.3 | | |
| 63 | L | 46.7 | Very low | 38.4 | Very low | 158 Ų | 158 | 147.9 Ų | 147.9 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | | | trans | -72.5 | 131.5 | 158.2 | 168 | 145 | 0 | 0 | 0 | 107.5 | | |
| 64 | L | 34.3 | Very low | 38.8 | Very low | 139 Ų | 139 | 143.9 Ų | 143.9 | 73% | 0.728 | 79% | 0.791 | S | S | * | * | | | trans | 160.5 | 142.3 | 165.2 | -88 | 161.7 | 0 | 0 | 0 | 105.6 | | |
| 65 | D | 39.9 | Very low | 38.8 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 62% | 0.62 | 78% | 0.78 | S | S | * | * | | | cis | -170 | 133.1 | 2.9 | 174.5 | 21.3 | 0 | 0 | 0 | 104.8 | C67 | D65-C67 PolarHBondContact O-N 3.35Š|
| 66 | A | 37.4 | Very low | 38.8 | Very low | 105 Ų | 105 | 142.1 Ų | 142.1 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | 27.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 67 | C | 45.9 | Very low | 38.7 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.4 | 17.5 | -168 | -82.1 | 0 | 0 | 0 | 0 | 116.5 | D65 | D65-C67 PolarHBondContact O-N 3.35Š|
| 68 | A | 34.6 | Very low | 38.5 | Very low | 76 Ų | 76 | 140.2 Ų | 140.2 | 63% | 0.628 | 78% | 0.782 | S | S | * | * | | | trans | -119.4 | 113.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 69 | L | 38.7 | Very low | 38.7 | Very low | 163 Ų | 163 | 141.5 Ų | 141.5 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 87.8 | 141.6 | 157.8 | -71.6 | 134.7 | 0 | 0 | 0 | 118.7 | | |
| 70 | P | 41.5 | Very low | 39.2 | Very low | 98 Ų | 98 | 135.6 Ų | 135.6 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | | | | -134.7 | 149.8 | -56.1 | 29.9 | -11.4 | 0 | 0 | 0 | 112.3 | S72 | P70-S72 PolarHBondContact O-N 3.2Š|
| 71 | R | 40.9 | Very low | 38.7 | Very low | 254 Ų | 254 | 136.8 Ų | 136.8 | 96% | 0.958 | 78% | 0.784 | S | S | * | * | | | trans | -56.3 | 103.3 | 159.2 | -86.2 | 179.8 | 164.5 | 101 | -3.6 | 109.8 | | |
| 72 | S | 35.8 | Very low | 38.4 | Very low | 100 Ų | 100 | 139.3 Ų | 139.3 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | | | trans | -176.4 | 53.1 | 153.2 | 68.6 | 0 | 0 | 0 | 0 | 113.8 | P70 | P70-S72 PolarHBondContact O-N 3.2Š|
| 73 | L | 36.7 | Very low | 38.5 | Very low | 169 Ų | 169 | 143.1 Ų | 143.1 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | | | trans | -113.2 | 26.1 | 166.2 | -136 | 152.8 | 0 | 0 | 0 | 112.2 | | |
| 74 | E | 42.5 | Very low | 37.7 | Very low | 183 Ų | 183 | 138.8 Ų | 138.8 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | | | trans | -98.9 | 89.9 | 156.6 | -97.9 | 92.6 | 80.6 | 0 | 0 | 108.5 | | |
| 75 | S | 34.5 | Very low | 37.8 | Very low | 101 Ų | 101 | 141.2 Ų | 141.2 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | | | trans | 160.3 | 94.2 | 147.5 | 49.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 76 | L | 34.1 | Very low | 37.3 | Very low | 167 Ų | 167 | 140 Ų | 140 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | | | trans | 177.2 | 65.8 | 132.7 | -111.5 | 68 | 0 | 0 | 0 | 107.6 | P78 | L76-P78 WeakPolarHBondContact O-CD 3.37Š|
| 77 | Y | 33 | Very low | 37.4 | Very low | 226 Ų | 226 | 141.5 Ų | 141.5 | 89% | 0.886 | 80% | 0.798 | S | S | * | * | | | trans | -86.8 | 114.4 | 159.9 | -133 | -85.3 | 0 | 0 | 0 | 106.5 | A79 | Y77-A79 PolarHBondContact O-N 3.43Š|
| 78 | P | 36.9 | Very low | 37 | Very low | 118 Ų | 118 | 144 Ų | 144 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | | | trans | -73.1 | 124.1 | 165.4 | 27 | -28 | 0 | 0 | 0 | 108.8 | L76 | L76-P78 WeakPolarHBondContact O-CD 3.37Š|
| 79 | A | 35.9 | Very low | 37.1 | Very low | 100 Ų | 100 | 145.6 Ų | 145.6 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | | | trans | -76.9 | 121.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y77 | Y77-A79 PolarHBondContact O-N 3.43Š|
| 80 | G | 40.3 | Very low | 37 | Very low | 67 Ų | 67 | 144.4 Ų | 144.4 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | | | trans | 64.5 | 161.6 | 152 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 81 | P | 38.4 | Very low | 36.7 | Very low | 129 Ų | 129 | 147.1 Ų | 147.1 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | | | cis | -124.3 | 127.7 | 40.8 | 9.1 | 15.1 | 0 | 0 | 0 | 116.1 | | |
| 82 | L | 44.3 | Very low | 36.3 | Very low | 162 Ų | 162 | 142.6 Ų | 142.6 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | | | | 29.7 | 96 | 125.6 | -170.4 | 77.8 | 0 | 0 | 0 | 117.5 | | |
| 83 | W | 36.8 | Very low | 36 | Very low | 261 Ų | 261 | 148.8 Ų | 148.8 | 99% | 0.989 | 81% | 0.807 | S | S | * | * | | | trans | -133.8 | 114.3 | 146.4 | -112.6 | 62.4 | 0 | 0 | 0 | 109.3 | | |
| 84 | G | 28.6 | Very low | 36.3 | Very low | 68 Ų | 68 | 148.1 Ų | 148.1 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | | | trans | 61.5 | 97.3 | 146.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | A86 | G84-A86 PolarHBondContact O-N 3.13Š|
| 85 | Q | 36.3 | Very low | 35.9 | Very low | 190 Ų | 190 | 146.6 Ų | 146.6 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | | | trans | -64.3 | 119.5 | 152.8 | -179.7 | 157.4 | -0.2 | 0 | 0 | 109.6 | | |
| 86 | A | 30.2 | Very low | 35.9 | Very low | 89 Ų | 89 | 148.2 Ų | 148.2 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | | | trans | -145.9 | 118.9 | 150.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | G84 | G84-A86 PolarHBondContact O-N 3.13Š|
| 87 | D | 39.1 | Very low | 36.5 | Very low | 138 Ų | 138 | 145.9 Ų | 145.9 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | | | trans | -35.6 | 148 | 151.5 | -71 | -74 | 0 | 0 | 0 | 111 | | |
| 88 | L | 37.6 | Very low | 36.5 | Very low | 165 Ų | 165 | 144.1 Ų | 144.1 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | | | trans | 106 | 60.9 | 174 | -56.1 | 166.6 | 0 | 0 | 0 | 116.7 | | |
| 89 | L | 37.9 | Very low | 36.6 | Very low | 110 Ų | 110 | 144.2 Ų | 144.2 | 58% | 0.576 | 79% | 0.791 | S | S | * | * | | | trans | -130.2 | 35.8 | 162.1 | -113.6 | 175.6 | 0 | 0 | 0 | 114.9 | K91 E92 | L89-K91 PolarHBondContact O-N 3.45Å; L89-K91 VanDerWaalsContact O-N 3.08Å; L89-E92 HydrophobicContact CD2-CB 3.53Å; L89-E92 HydrophobicContact CD2-CG 3.31Å; L89-E92 WeakPolarHBondContact CD2-OE2 3.43Å |
| 90 | S | 36.5 | Very low | 36.5 | Very low | 138 Ų | 138 | 145.6 Ų | 145.6 | 97% | 0.965 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -70.8 | 26.8 | 149.5 | -69.3 | 0 | 0 | 0 | 0 | 112 | | |
| 91 | K | 34.2 | Very low | 36.1 | Very low | 154 Ų | 154 | 149.9 Ų | 149.9 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | | | trans | -143.9 | 48.6 | -169.2 | -158.2 | 173.3 | 177.8 | 169.6 | 0 | 111.4 | L89 | L89-K91 PolarHBondContact O-N 3.45Å; L89-K91 VanDerWaalsContact O-N 3.08Å |
| 92 | E | 32.3 | Very low | 36 | Very low | 160 Ų | 160 | 153.3 Ų | 153.3 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -125 | -1 | 166.7 | -106.5 | 167.5 | -179.7 | 0 | 0 | 113.1 | L89 | L89-E92 HydrophobicContact CD2-CB 3.53Å; L89-E92 HydrophobicContact CD2-CG 3.31Å; L89-E92 WeakPolarHBondContact CD2-OE2 3.43Å |
| 93 | Y | 29.9 | Very low | 35.9 | Very low | 230 Ų | 230 | 152.1 Ų | 152.1 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -105 | 8.2 | 177.5 | -165 | -103.6 | 0 | 0 | 0 | 114.5 | | |
| 94 | L | 42.5 | Very low | 36.3 | Very low | 155 Ų | 155 | 142.7 Ų | 142.7 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -133.3 | 56 | -179.6 | -144.6 | 122.2 | 0 | 0 | 0 | 112.2 | | |
| 95 | E | 35.3 | Very low | 36.7 | Very low | 151 Ų | 151 | 144.7 Ų | 144.7 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | trans | -154.7 | 88.7 | 166.7 | -110.4 | 165.8 | 136.5 | 0 | 0 | 111.1 | | |
| 96 | T | 34.8 | Very low | 36.9 | Very low | 135 Ų | 135 | 139.3 Ų | 139.3 | 83% | 0.828 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -120.7 | 105.1 | 141.7 | 173.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 97 | T | 46.4 | Very low | 37.3 | Very low | 118 Ų | 118 | 142.9 Ų | 142.9 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | | | trans | 81.9 | 64.4 | 159 | -32.3 | 0 | 0 | 0 | 0 | 116.9 | | |
| 98 | F | 31.6 | Very low | 37.4 | Very low | 188 Ų | 188 | 143.5 Ų | 143.5 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | | | trans | -104.9 | 108.1 | 144.7 | -135.4 | -94.6 | 0 | 0 | 0 | 107.4 | | |
| 99 | V | 40.1 | Very low | 37.6 | Very low | 121 Ų | 121 | 144.7 Ų | 144.7 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | | | trans | -83.8 | 114.5 | 160.9 | 169.5 | 0 | 0 | 0 | 0 | 106 | I101 | V99-I101 PolarHBondContact O-N 3.13Š|
| 100 | D | 34.2 | Very low | 37.8 | Very low | 129 Ų | 129 | 148.7 Ų | 148.7 | 69% | 0.69 | 77% | 0.773 | S | S | * | * | | | trans | -41.6 | 122.4 | 168.3 | -174.5 | -17.3 | 0 | 0 | 0 | 112.4 | R102 | D100-R102 PolarHBondContact OD1-N 2.7Š|
| 101 | I | 31.7 | Very low | 37.8 | Very low | 156 Ų | 156 | 149.2 Ų | 149.2 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | | | trans | -130.8 | 88.7 | 150.2 | -51.9 | 176.7 | 0 | 0 | 0 | 107.6 | V99 | V99-I101 PolarHBondContact O-N 3.13Š|
| 102 | R | 35.1 | Very low | 38.1 | Very low | 202 Ų | 202 | 149 Ų | 149 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | | | trans | -0.1 | 122.6 | 149.2 | 174.6 | 161.7 | -86.8 | -177 | -7.7 | 115.4 | D100 G104 | D100-R102 PolarHBondContact OD1-N 2.7Å; R102-G104 PolarHBondContact O-N 3.35Å |
| 103 | P | 43.3 | Very low | 38.6 | Very low | 136 Ų | 136 | 145.4 Ų | 145.4 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -71.3 | 115.7 | 173.9 | 25 | -25.5 | 0 | 0 | 0 | 109.9 | | |
| 104 | G | 45.3 | Very low | 39.1 | Very low | 63 Ų | 63 | 143.3 Ų | 143.3 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | | | trans | 133.5 | 79.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R102 | R102-G104 PolarHBondContact O-N 3.35Š|
| 105 | S | 36.3 | Very low | 39.1 | Very low | 110 Ų | 110 | 140.5 Ų | 140.5 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 173.9 | 132.5 | 133.1 | 43.8 | 0 | 0 | 0 | 0 | 113.4 | L107 | S105-L107 PolarHBondContact O-N 3.17Š|
| 106 | A | 41.3 | Very low | 39.6 | Very low | 77 Ų | 77 | 142 Ų | 142 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 80.3 | -3.5 | 146 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 107 | L | 38.5 | Very low | 39.6 | Very low | 165 Ų | 165 | 142.2 Ų | 142.2 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -115.4 | 11.2 | 176.5 | -152 | 120.6 | 0 | 0 | 0 | 116.3 | S105 | S105-L107 PolarHBondContact O-N 3.17Š|
| 108 | E | 39.8 | Very low | 39 | Very low | 151 Ų | 151 | 146.4 Ų | 146.4 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -108.5 | -11.7 | 174.1 | -82.6 | -88.6 | 105.5 | 0 | 0 | 112.9 | K110 | E108-K110 VanDerWaalsContact C-N 3.31Å; E108-K110 PolarHBondContact O-N 3.08Å |
| 109 | R | 42.5 | Very low | 39.1 | Very low | 190 Ų | 190 | 145.3 Ų | 145.3 | 72% | 0.717 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | 0.3 | -177.3 | -70.8 | -166.4 | -132.3 | 94.7 | -0.8 | 115 | | |
| 110 | K | 41.9 | Very low | 38.5 | Very low | 194 Ų | 194 | 143.8 Ų | 143.8 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | -14.7 | 178.7 | -90 | -135.1 | 171.1 | -162.5 | 0 | 114.8 | E108 | E108-K110 VanDerWaalsContact C-N 3.31Å; E108-K110 PolarHBondContact O-N 3.08Å |
| 111 | L | 37.3 | Very low | 38.8 | Very low | 149 Ų | 149 | 142.5 Ų | 142.5 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | -18.1 | 179.7 | -142.4 | 161.8 | 0 | 0 | 0 | 112.5 | | |
| 112 | L | 39.5 | Very low | 39.8 | Very low | 149 Ų | 149 | 141.3 Ų | 141.3 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -93.3 | -6.2 | -180 | -131.2 | 157.6 | 0 | 0 | 0 | 113.9 | | |
| 113 | A | 42.9 | Very low | 39.6 | Very low | 85 Ų | 85 | 141.5 Ų | 141.5 | 70% | 0.702 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -95.5 | -4.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 114 | E | 41.7 | Very low | 39 | Very low | 185 Ų | 185 | 138.6 Ų | 138.6 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -111 | 12.2 | -170.7 | -166.4 | 145.1 | 83 | 0 | 0 | 114.3 | | |
| 115 | A | 42 | Very low | 39 | Very low | 96 Ų | 96 | 143.7 Ų | 143.7 | 79% | 0.793 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -119.8 | 17.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 116 | Q | 45.8 | Very low | 39 | Very low | 182 Ų | 182 | 145.1 Ų | 145.1 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | | | trans | -127.9 | 69.7 | -178.5 | -156.2 | 164.3 | 18.9 | 0 | 0 | 111.8 | | |
| 117 | D | 34.4 | Very low | 38.9 | Very low | 141 Ų | 141 | 148.7 Ų | 148.7 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | | | trans | -162.1 | 107.8 | 151.8 | -135.3 | -49 | 0 | 0 | 0 | 108.4 | | |
| 118 | F | 34 | Very low | 39.2 | Very low | 205 Ų | 205 | 149.1 Ų | 149.1 | 90% | 0.899 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 176.9 | 108 | 137 | -92.4 | -67.5 | 0 | 0 | 0 | 109 | | |
| 119 | H | 34 | Very low | 39.1 | Very low | 166 Ų | 166 | 149.2 Ų | 149.2 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | | | trans | 100.9 | 82.7 | 152.6 | -137.5 | -92.1 | 0 | 0 | 0 | 120.3 | | |
| 120 | S | 28.1 | Very low | 39.1 | Very low | 89 Ų | 89 | 146.7 Ų | 146.7 | 62% | 0.622 | 78% | 0.783 | S | S | * | * | | | | 60 | 102.9 | 115.2 | -45.5 | 0 | 0 | 0 | 0 | 121.4 | | |
| 121 | A | 38.9 | Very low | 39.2 | Very low | 101 Ų | 101 | 145.5 Ų | 145.5 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | | | | 69.4 | 153.2 | 122.3 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 122 | P | 52.4 | Low | 39.5 | Very low | 131 Ų | 131 | 146.3 Ų | 146.3 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | | | trans | -113.3 | 163.5 | -157.3 | 40.2 | -26.6 | 0 | 0 | 0 | 116 | | |
| 123 | Y | 32.7 | Very low | 40.1 | Very low | 207 Ų | 207 | 144.1 Ų | 144.1 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | | | trans | -159.2 | 99.2 | 166.1 | 174.2 | -85.8 | 0 | 0 | 0 | 106.8 | | |
| 124 | S | 30.1 | Very low | 39.7 | Very low | 75 Ų | 75 | 147.8 Ų | 147.8 | 52% | 0.524 | 79% | 0.791 | S | S | . | * | | | | 83.7 | 115.1 | 77.4 | 71.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 125 | M | 45.8 | Very low | 39.3 | Very low | 170 Ų | 170 | 143 Ų | 143 | 84% | 0.837 | 78% | 0.779 | S | S | * | * | | | trans | 41.1 | 134.3 | 153.2 | -61.8 | -69.5 | -179.2 | 0 | 0 | 120.3 | | |
| 126 | D | 34.7 | Very low | 39.1 | Very low | 140 Ų | 140 | 146.1 Ų | 146.1 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | | | | -177.2 | 112.9 | 118.4 | -79.6 | -32.2 | 0 | 0 | 0 | 111 | | |
| 127 | D | 38.9 | Very low | 39.2 | Very low | 152 Ų | 152 | 144 Ų | 144 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | | | trans | 58.4 | 139.5 | 138.7 | -55.8 | -50 | 0 | 0 | 0 | 125.5 | | |
| 128 | E | 46.1 | Very low | 39.7 | Very low | 174 Ų | 174 | 142.5 Ų | 142.5 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | | | trans | -80 | 154.3 | 178.7 | -39.8 | -168.3 | 91.7 | 0 | 0 | 110.8 | | |
| 129 | D | 37.7 | Very low | 40.5 | Very low | 152 Ų | 152 | 137.3 Ų | 137.3 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | | | trans | 168.3 | 124.2 | 138.7 | -82.7 | -34.5 | 0 | 0 | 0 | 112.5 | | |
| 130 | D | 41.6 | Very low | 41 | Very low | 138 Ų | 138 | 136.2 Ų | 136.2 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | | | trans | 40.2 | 120.4 | 145.3 | -72.5 | -57.6 | 0 | 0 | 0 | 123.1 | | |
| 131 | L | 44.2 | Very low | 41.8 | Very low | 169 Ų | 169 | 139.3 Ų | 139.3 | 89% | 0.885 | 77% | 0.774 | S | S | * | * | | | | 156.8 | 121.6 | 114.6 | -77.1 | 179.5 | 0 | 0 | 0 | 112.5 | | |
| 132 | L | 43 | Very low | 41.9 | Very low | 166 Ų | 166 | 141 Ų | 141 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | | | trans | -78.2 | -169.3 | 169 | -62.3 | 174.4 | 0 | 0 | 0 | 111.6 | | |
| 133 | P | 53.8 | Low | 42 | Very low | 103 Ų | 103 | 142.2 Ų | 142.2 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | | | | -133.2 | 155.9 | -61.8 | 36.4 | -20.6 | 0 | 0 | 0 | 112.8 | | |
| 134 | D | 34.7 | Very low | 42.3 | Very low | 161 Ų | 161 | 137 Ų | 137 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | | | trans | -178.8 | 151.4 | 163.6 | -109 | -65.1 | 0 | 0 | 0 | 107.7 | | |
| 135 | S | 32.3 | Very low | 43.1 | Very low | 85 Ų | 85 | 140.8 Ų | 140.8 | 59% | 0.594 | 78% | 0.776 | S | S | * | * | | | cis | -176.1 | 134 | -27.9 | 35.8 | 0 | 0 | 0 | 0 | 104.7 | | |
| 136 | D | 38.7 | Very low | 42.7 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 87% | 0.866 | 77% | 0.766 | S | S | * | * | | | trans | 170.8 | 129.9 | 138.6 | 54.5 | -8.8 | 0 | 0 | 0 | 114.2 | | |
| 137 | D | 47.8 | Very low | 43.2 | Very low | 136 Ų | 136 | 139 Ų | 139 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | trans | -80.1 | 127.6 | 171.4 | 167.4 | 37.3 | 0 | 0 | 0 | 109.2 | | |
| 138 | S | 43.5 | Very low | 43.3 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | | | trans | -158.9 | 88.7 | 153.7 | -87.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 139 | S | 51.6 | Low | 43 | Very low | 95 Ų | 95 | 134.9 Ų | 134.9 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | | | trans | -67.6 | 118.4 | 150.5 | 51.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 140 | I | 44.7 | Very low | 43.5 | Very low | 143 Ų | 143 | 131.9 Ų | 131.9 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | | | trans | -129.8 | 111.5 | 148.5 | 94 | 168.1 | 0 | 0 | 0 | 107.2 | D142 | I140-D142 HydrophobicContact CD1-CB 4.45Š|
| 141 | D | 44.3 | Very low | 43.9 | Very low | 154 Ų | 154 | 130.6 Ų | 130.6 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | | | trans | -78.2 | 109.7 | 157.1 | -51.3 | -74.3 | 0 | 0 | 0 | 106.1 | | |
| 142 | D | 42.2 | Very low | 43.8 | Very low | 137 Ų | 137 | 129.6 Ų | 129.6 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | | | trans | -129.1 | 105.8 | 164 | -150.5 | -91.3 | 0 | 0 | 0 | 108 | I140 S144 | I140-D142 HydrophobicContact CD1-CB 4.45Å; D142-S144 PolarHBondContact O-N 3.1Å |
| 143 | L | 53.5 | Low | 43.7 | Very low | 156 Ų | 156 | 127.9 Ų | 127.9 | 82% | 0.817 | 75% | 0.75 | S | S | * | * | | | trans | -63.1 | 126.6 | 174.7 | -60.2 | -166.8 | 0 | 0 | 0 | 109.1 | | |
| 144 | S | 39.3 | Very low | 43.4 | Very low | 97 Ų | 97 | 129.7 Ų | 129.7 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | | | trans | -142.5 | 80.8 | 160 | -173.5 | 0 | 0 | 0 | 0 | 109.5 | D142 T146 | D142-S144 PolarHBondContact O-N 3.1Å; S144-T146 PolarHBondContact O-N 3.41Å; S144-T146 VanDerWaalsContact O-N 3.1Å |
| 145 | D | 47.4 | Very low | 44.1 | Very low | 155 Ų | 155 | 130 Ų | 130 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | | | trans | -59.1 | 104.8 | 150.7 | -73.6 | -62.8 | 0 | 0 | 0 | 107.3 | | |
| 146 | T | 36.3 | Very low | 45.2 | Very low | 102 Ų | 102 | 132.3 Ų | 132.3 | 63% | 0.626 | 76% | 0.756 | S | S | * | * | | | trans | -150.9 | 107.6 | 164.4 | -75.4 | 0 | 0 | 0 | 0 | 107.9 | S144 S148 | S144-T146 PolarHBondContact O-N 3.41Å; S144-T146 VanDerWaalsContact O-N 3.1Å; T146-S148 PolarHBondContact O-N 2.71Å; T146-S148 VanDerWaalsContact O-N 3.07Å |
| 147 | D | 44.5 | Very low | 45.7 | Very low | 170 Ų | 170 | 128.5 Ų | 128.5 | 91% | 0.909 | 74% | 0.74 | S | S | * | * | | | trans | -48.6 | 107.5 | 158.9 | -47.4 | -83.3 | 0 | 0 | 0 | 108.8 | | |
| 148 | S | 42.6 | Very low | 46 | Very low | 92 Ų | 92 | 130 Ų | 130 | 64% | 0.643 | 74% | 0.743 | S | S | * | * | | | trans | -155.6 | 96.5 | 169.6 | -163.6 | 0 | 0 | 0 | 0 | 110.6 | T146 G150 | T146-S148 PolarHBondContact O-N 2.71Å; T146-S148 VanDerWaalsContact O-N 3.07Å; S148-G150 PolarHBondContact O-N 3.42Å |
| 149 | D | 39.7 | Very low | 46.6 | Very low | 148 Ų | 148 | 129.6 Ų | 129.6 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | | | trans | 22.8 | 98.8 | 146.4 | -60 | -63.1 | 0 | 0 | 0 | 116.6 | N151 | D149-N151 WeakPolarHBondContact O-CB 2.97Š|
| 150 | G | 48.2 | Very low | 47.4 | Very low | 90 Ų | 90 | 133.2 Ų | 133.2 | 93% | 0.928 | 73% | 0.732 | S | S | * | * | | | trans | -66.8 | 127.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S148 | S148-G150 PolarHBondContact O-N 3.42Š|
| 151 | N | 49.3 | Very low | 48.4 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 59% | 0.594 | 73% | 0.725 | S | S | * | * | | | cis | 133.9 | 7 | -21.5 | -66.1 | 26.9 | 0 | 0 | 0 | 116.4 | D149 | D149-N151 WeakPolarHBondContact O-CB 2.97Š|
| 152 | F | 42.4 | Very low | 49.7 | Very low | 148 Ų | 148 | 126.1 Ų | 126.1 | 65% | 0.649 | 70% | 0.704 | S | S | * | * | | | trans | 72.4 | 129.7 | 168.2 | -51.6 | -55.4 | 0 | 0 | 0 | 118.9 | L154 | F152-L154 HydrophobicContact CD1-CD2 4.14Å; F152-L154 HydrophobicContact CE1-CD2 4.47Å; F152-L154 HydrophobicContact CG-CD2 4.45Å |
| 153 | P | 39.9 | Very low | 50.7 | Low | 130 Ų | 130 | 125.1 Ų | 125.1 | 84% | 0.844 | 70% | 0.698 | S | S | * | * | | | | -115.5 | 131.4 | 98.6 | -5.8 | 24.1 | 0 | 0 | 0 | 112.8 | M155 | P153-M155 PolarHBondContact O-N 3.22Š|
| 154 | L | 47.5 | Very low | 51.4 | Low | 141 Ų | 141 | 120.2 Ų | 120.2 | 74% | 0.738 | 68% | 0.679 | S | S | * | * | | | trans | -62.3 | 93.4 | 171.1 | -62 | 168.7 | 0 | 0 | 0 | 110.9 | F152 | F152-L154 HydrophobicContact CD1-CD2 4.14Å; F152-L154 HydrophobicContact CE1-CD2 4.47Å; F152-L154 HydrophobicContact CG-CD2 4.45Å |
| 155 | M | 51.2 | Low | 53 | Low | 168 Ų | 168 | 121.5 Ų | 121.5 | 83% | 0.828 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -158.7 | 117.5 | 155.3 | -148.2 | 114.3 | 131.7 | 0 | 0 | 110 | P153 | P153-M155 PolarHBondContact O-N 3.22Š|
| 156 | I | 53.9 | Low | 53.9 | Low | 132 Ų | 132 | 118.4 Ų | 118.4 | 68% | 0.677 | 65% | 0.652 | S | S | * | * | | | trans | 75.1 | 88.5 | -179.2 | -44.3 | 151.7 | 0 | 0 | 0 | 114.1 | | |
| 157 | P | 49.7 | Very low | 55.2 | Low | 83 Ų | 83 | 116.6 Ų | 116.6 | 54% | 0.539 | 64% | 0.644 | S | S | . | * | | | trans | -132 | 59.3 | 171.1 | 37.6 | -20 | 0 | 0 | 0 | 112.8 | D159 Y160 | P157-D159 VanDerWaalsContact C-N 3.33Å; P157-Y160 HydrophobicContact CB-CD2 3.98Å |
| 158 | Q | 54.8 | Low | 56.3 | Low | 168 Ų | 168 | 114.4 Ų | 114.4 | 79% | 0.785 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -76.4 | -30.3 | 163.7 | -153.7 | 102.8 | 2.1 | 0 | 0 | 110.3 | | |
| 159 | D | 54.8 | Low | 57.4 | Low | 101 Ų | 101 | 113.5 Ų | 113.5 | 54% | 0.54 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -87.6 | -32.9 | -168.5 | -44.4 | -65.1 | 0 | 0 | 0 | 112.1 | P157 L161 G162 L163 | P157-D159 VanDerWaalsContact C-N 3.33Å; D159-L161 PolarHBondContact O-N 3.19Å; D159-G162 PolarHBondContact O-N 2.66Å; D159-L163 WeakPolarHBondContact O-CB 2.93Å; D159-L163 WeakPolarHBondContact O-CD1 3.33Å; D159-L163 PolarHBondContact O-N 3.45Å |
| 160 | Y | 68.6 | Low | 58.3 | Low | 172 Ų | 172 | 109.3 Ų | 109.3 | 68% | 0.675 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -68.4 | -35.5 | 177.1 | -66.6 | -77.5 | 0 | 0 | 0 | 112.8 | P157 A164 | P157-Y160 HydrophobicContact CB-CD2 3.98Å; Y160-A164 WeakPolarHBondContact O-CB 3.4Å; Y160-A164 PolarHBondContact O-N 3.31Å |
| 161 | L | 66.3 | Low | 58.6 | Low | 112 Ų | 112 | 108.7 Ų | 108.7 | 59% | 0.586 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.3 | -44 | 176.1 | -156 | 108 | 0 | 0 | 0 | 110.1 | D159 A164 F165 | D159-L161 PolarHBondContact O-N 3.19Å; L161-A164 PolarHBondContact O-N 2.85Å; L161-F165 HydrophobicContact CD2-CD2 3.93Å; L161-F165 HydrophobicContact CD2-CE2 3.54Å; L161-F165 HydrophobicContact CG-CD2 4.01Å; L161-F165 HydrophobicContact CG-CE2 3.77Å; L161-F165 WeakPolarHBondContact O-CD2 3.23Å; L161-F165 PolarHBondContact O-N 3.07Å |
| 162 | G | 70.8 | Confident | 59 | Low | 36 Ų | 36 | 111.4 Ų | 111.4 | 37% | 0.371 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.8 | -43.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D159 F165 F166 | D159-G162 PolarHBondContact O-N 2.66Å; G162-F165 PolarHBondContact O-N 3.34Å; G162-F166 VanDerWaalsContact O-CB 3.3Å; G162-F166 WeakPolarHBondContact O-CB 3.26Å; G162-F166 PolarHBondContact O-N 3.38Å |
| 163 | L | 65 | Low | 59.4 | Low | 116 Ų | 116 | 111 Ų | 111 | 61% | 0.607 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.7 | -39.1 | 172.6 | -94.5 | 117.8 | 0 | 0 | 0 | 112.4 | D159 F166 S167 | D159-L163 WeakPolarHBondContact O-CB 2.93Å; D159-L163 WeakPolarHBondContact O-CD1 3.33Å; D159-L163 PolarHBondContact O-N 3.45Å; L163-F166 PolarHBondContact O-N 3.4Å; L163-S167 VanDerWaalsContact O-CB 3.3Å; L163-S167 WeakPolarHBondContact O-CB 3.01Å; L163-S167 PolarHBondContact O-N 3.26Å |
| 164 | A | 67.9 | Low | 60.1 | Low | 52 Ų | 52 | 109.1 Ų | 109.1 | 43% | 0.43 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69.8 | -38.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y160 L161 S167 M168 | Y160-A164 WeakPolarHBondContact O-CB 3.4Å; Y160-A164 PolarHBondContact O-N 3.31Å; L161-A164 PolarHBondContact O-N 2.85Å; A164-S167 PolarHBondContact O-N 3.41Å; A164-M168 VanDerWaalsContact O-CB 3.23Å; A164-M168 WeakPolarHBondContact O-CB 3.19Å; A164-M168 VanDerWaalsContact O-CG 3.27Å; A164-M168 WeakPolarHBondContact O-CG 3.41Å; A164-M168 PolarHBondContact O-N 3.47Å |
| 165 | F | 71.4 | Confident | 60.2 | Low | 124 Ų | 124 | 107.9 Ų | 107.9 | 54% | 0.544 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.2 | -37.5 | 171 | -84.1 | -69.8 | 0 | 0 | 0 | 112 | L161 G162 M168 L169 | L161-F165 HydrophobicContact CD2-CD2 3.93Å; L161-F165 HydrophobicContact CD2-CE2 3.54Å; L161-F165 HydrophobicContact CG-CD2 4.01Å; L161-F165 HydrophobicContact CG-CE2 3.77Å; L161-F165 WeakPolarHBondContact O-CD2 3.23Å; L161-F165 PolarHBondContact O-N 3.07Å; G162-F165 PolarHBondContact O-N 3.34Å; F165-M168 PolarHBondContact O-N 2.64Å; F165-L169 VanDerWaalsContact O-CB 3.24Å; F165-L169 WeakPolarHBondContact O-CB 3.25Å; F165-L169 WeakPolarHBondContact O-CG 3.27Å; F165-L169 PolarHBondContact O-N 3.42Å |
| 166 | F | 66.3 | Low | 60.4 | Low | 90 Ų | 90 | 102 Ų | 102 | 40% | 0.395 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 172.9 | 179.1 | -101 | 0 | 0 | 0 | 111.6 | G162 L163 C170 I213 | G162-F166 VanDerWaalsContact O-CB 3.3Å; G162-F166 WeakPolarHBondContact O-CB 3.26Å; G162-F166 PolarHBondContact O-N 3.38Å; L163-F166 PolarHBondContact O-N 3.4Å; F166-C170 WeakPolarHBondContact O-CB 3.28Å; F166-C170 PolarHBondContact O-N 2.98Å; F166-I213 HydrophobicContact CZ-CG1 4.14Å |
| 167 | S | 64.3 | Low | 60.4 | Low | 64 Ų | 64 | 101 Ų | 101 | 45% | 0.448 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.5 | -44.2 | 173.7 | -171.6 | 0 | 0 | 0 | 0 | 111.6 | L163 A164 C170 C171 | L163-S167 VanDerWaalsContact O-CB 3.3Å; L163-S167 WeakPolarHBondContact O-CB 3.01Å; L163-S167 PolarHBondContact O-N 3.26Å; A164-S167 PolarHBondContact O-N 3.41Å; S167-C170 CarbonylContact O-C 3.47Å; S167-C170 WeakPolarHBondContact O-CA 3.44Å; S167-C170 WeakPolarHBondContact O-CB 3.42Å; S167-C170 PolarHBondContact O-N 3.28Å; S167-C171 WeakPolarHBondContact O-CB 3.48Å; S167-C171 PolarHBondContact O-N 3.27Å; S167-C171 PolarHBondContact O-SG 3.39Å |
| 168 | M | 67.2 | Low | 60.2 | Low | 125 Ų | 125 | 100.7 Ų | 100.7 | 62% | 0.616 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.4 | -39 | 175.9 | -81.9 | -80.1 | -153.1 | 0 | 0 | 112.7 | A164 F165 C170 C171 F172 | A164-M168 VanDerWaalsContact O-CB 3.23Å; A164-M168 WeakPolarHBondContact O-CB 3.19Å; A164-M168 VanDerWaalsContact O-CG 3.27Å; A164-M168 WeakPolarHBondContact O-CG 3.41Å; A164-M168 PolarHBondContact O-N 3.47Å; F165-M168 PolarHBondContact O-N 2.64Å; M168-C170 VanDerWaalsContact C-N 3.31Å; M168-C171 CarbonylContact O-C 3.58Å; M168-C171 PolarHBondContact O-N 3.36Å; M168-F172 WeakPolarHBondContact O-CA 3.45Å; M168-F172 PolarHBondContact O-N 3.32Å |
| 169 | L | 66.5 | Low | 60 | Low | 72 Ų | 72 | 94.4 Ų | 94.4 | 38% | 0.377 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.4 | -31 | 173.5 | -72.6 | 169.4 | 0 | 0 | 0 | 111.5 | F165 C171 T219 | F165-L169 VanDerWaalsContact O-CB 3.24Å; F165-L169 WeakPolarHBondContact O-CB 3.25Å; F165-L169 WeakPolarHBondContact O-CG 3.27Å; F165-L169 PolarHBondContact O-N 3.42Å; L169-C171 VanDerWaalsContact C-N 3.28Å; L169-T219 HydrophobicContact CD1-CG2 4.38Å |
| 170 | C | 59.1 | Low | 59.9 | Low | 60 Ų | 60 | 91.7 Ų | 91.7 | 41% | 0.405 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.5 | -23.1 | 171 | -171.5 | 0 | 0 | 0 | 0 | 112.6 | F166 S167 M168 S212 | F166-C170 WeakPolarHBondContact O-CB 3.28Å; F166-C170 PolarHBondContact O-N 2.98Å; S167-C170 CarbonylContact O-C 3.47Å; S167-C170 WeakPolarHBondContact O-CA 3.44Å; S167-C170 WeakPolarHBondContact O-CB 3.42Å; S167-C170 PolarHBondContact O-N 3.28Å; M168-C170 VanDerWaalsContact C-N 3.31Å; C170-S212 VanDerWaalsContact CA-OG 3.27Å; C170-S212 WeakPolarHBondContact CA-OG 3.39Å; C170-S212 PolarHBondContact SG-OG 2.87Å; C170-S212 VanDerWaalsContact SG-OG 3.32Å |
| 171 | C | 54.8 | Low | 59.2 | Low | 78 Ų | 78 | 91.9 Ų | 91.9 | 53% | 0.527 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -113.5 | -21.9 | -171.5 | -65 | 0 | 0 | 0 | 0 | 115.6 | S167 M168 L169 | S167-C171 WeakPolarHBondContact O-CB 3.48Å; S167-C171 PolarHBondContact O-N 3.27Å; S167-C171 PolarHBondContact O-SG 3.39Å; M168-C171 CarbonylContact O-C 3.58Å; M168-C171 PolarHBondContact O-N 3.36Å; L169-C171 VanDerWaalsContact C-N 3.28Å |
| 172 | F | 57 | Low | 58.2 | Low | 167 Ų | 167 | 91.1 Ų | 91.1 | 73% | 0.732 | 50% | 0.501 | S | S | * | . | | | trans | -145.2 | 62.2 | -168.2 | -122.9 | -94.4 | 0 | 0 | 0 | 112.7 | M168 | M168-F172 WeakPolarHBondContact O-CA 3.45Å; M168-F172 PolarHBondContact O-N 3.32Å |
| 173 | W | 50.6 | Low | 57.1 | Low | 140 Ų | 140 | 92 Ų | 92 | 53% | 0.53 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -123 | 138.2 | 144.7 | -149 | 38.5 | 0 | 0 | 0 | 105.1 | L175 G176 F215 | W173-L175 PolarHBondContact O-N 3.28Å; W173-G176 PolarHBondContact O-N 3.45Å; W173-F215 HydrophobicContact CE3-CD1 4.4Å; W173-F215 AromaticContact CE3-CE1 4Å; W173-F215 HydrophobicContact CE3-CE1 4Å; W173-F215 HydrophobicContact CE3-CZ 4.22Å; W173-F215 AromaticContact CH2-CE1 3.81Å; W173-F215 HydrophobicContact CH2-CE1 3.81Å; W173-F215 HydrophobicContact CH2-CE2 4.18Å; W173-F215 AromaticContact CH2-CZ 3.4Å; W173-F215 HydrophobicContact CH2-CZ 3.4Å; W173-F215 HydrophobicContact CZ2-CZ 4.41Å; W173-F215 HydrophobicContact CZ3-CD1 4.17Å; W173-F215 HydrophobicContact CZ3-CD2 4.41Å; W173-F215 AromaticContact CZ3-CE1 3.49Å; W173-F215 HydrophobicContact CZ3-CE1 3.49Å; W173-F215 VanDerWaalsContact CZ3-CE1 3.49Å; W173-F215 AromaticContact CZ3-CE2 3.78Å; W173-F215 HydrophobicContact CZ3-CE2 3.78Å; W173-F215 AromaticContact CZ3-CZ 3.27Å; W173-F215 HydrophobicContact CZ3-CZ 3.27Å |
| 174 | P | 54 | Low | 56.1 | Low | 90 Ų | 90 | 93.3 Ų | 93.3 | 58% | 0.584 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 0 | -168.5 | 19.6 | -32.5 | 0 | 0 | 0 | 116.9 | I177 | P174-I177 HydrophobicContact CB-CD1 4.36Å; P174-I177 WeakPolarHBondContact O-CB 3.26Å; P174-I177 PolarHBondContact O-N 2.71Å |
| 175 | L | 49.3 | Very low | 54.8 | Low | 115 Ų | 115 | 99.4 Ų | 99.4 | 60% | 0.602 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -18.7 | 174.6 | -104.3 | 60.2 | 0 | 0 | 0 | 114.6 | W173 I177 A179 | W173-L175 PolarHBondContact O-N 3.28Å; L175-I177 PolarHBondContact O-N 3.49Å; L175-A179 PolarHBondContact O-N 3.21Å |
| 176 | G | 57.1 | Low | 53.2 | Low | 44 Ų | 44 | 97 Ų | 97 | 45% | 0.454 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -65.9 | -11.3 | 160.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | W173 A179 | W173-G176 PolarHBondContact O-N 3.45Å; G176-A179 WeakPolarHBondContact O-CB 3.27Å |
| 177 | I | 53.6 | Low | 52.3 | Low | 112 Ų | 112 | 99 Ų | 99 | 57% | 0.574 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -97.5 | -21.7 | -177.1 | -69 | 136.1 | 0 | 0 | 0 | 112.7 | P174 L175 A179 | P174-I177 HydrophobicContact CB-CD1 4.36Å; P174-I177 WeakPolarHBondContact O-CB 3.26Å; P174-I177 PolarHBondContact O-N 2.71Å; L175-I177 PolarHBondContact O-N 3.49Å; I177-A179 VanDerWaalsContact C-N 3.31Å |
| 178 | A | 45.6 | Very low | 51.2 | Low | 76 Ų | 76 | 105.9 Ų | 105.9 | 63% | 0.628 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -88.9 | -5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F180 | A178-F180 PolarHBondContact O-N 3.03Š|
| 179 | A | 50.7 | Low | 50 | Low | 36 Ų | 36 | 103.4 Ų | 103.4 | 30% | 0.298 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -54.2 | 91.9 | 149.1 | 0 | 0 | 0 | 0 | 0 | 106.3 | L175 G176 I177 Y181 L208 | L175-A179 PolarHBondContact O-N 3.21Å; G176-A179 WeakPolarHBondContact O-CB 3.27Å; I177-A179 VanDerWaalsContact C-N 3.31Å; A179-Y181 VanDerWaalsContact C-N 3.29Å; A179-Y181 PolarHBondContact O-N 3.39Å; A179-L208 HydrophobicContact CB-CD1 3.73Å |
| 180 | F | 52.7 | Low | 48.8 | Very low | 45 Ų | 45 | 104.5 Ų | 104.5 | 20% | 0.197 | 57% | 0.566 | C | S | . | * | S | Bend | trans | 73.1 | 31.4 | 142.2 | -122.6 | -121.9 | 0 | 0 | 0 | 114.1 | A178 L182 S183 A201 Q204 | A178-F180 PolarHBondContact O-N 3.03Å; F180-L182 HydrophobicContact CD2-CB 4.37Å; F180-L182 HydrophobicContact CE2-CB 4.24Å; F180-L182 PolarHBondContact O-N 3.36Å; F180-S183 VanDerWaalsContact CD1-OG 3.26Å; F180-S183 WeakPolarHBondContact CD1-OG 3.3Å; F180-S183 VanDerWaalsContact CE1-CA 3.48Å; F180-S183 VanDerWaalsContact CE1-OG 3.23Å; F180-S183 WeakPolarHBondContact CE1-OG 3.12Å; F180-S183 WeakPolarHBondContact O-CA 3.23Å; F180-S183 WeakPolarHBondContact O-CB 3.39Å; F180-S183 PolarHBondContact O-N 3.5Å; F180-A201 HydrophobicContact CE1-CB 3.7Å; F180-A201 HydrophobicContact CZ-CB 3.65Å; F180-Q204 HydrophobicContact CD2-CB 4.36Å; F180-Q204 HydrophobicContact CE2-CB 3.89Å; F180-Q204 HydrophobicContact CE2-CG 4.48Å |
| 181 | Y | 53.7 | Low | 48.1 | Very low | 176 Ų | 176 | 106.4 Ų | 106.4 | 69% | 0.69 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -48.5 | -29.7 | 138 | -151.5 | -99.4 | 0 | 0 | 0 | 112.3 | A179 S183 Q184 | A179-Y181 VanDerWaalsContact C-N 3.29Å; A179-Y181 PolarHBondContact O-N 3.39Å; Y181-S183 VanDerWaalsContact C-N 3.26Å; Y181-S183 PolarHBondContact O-N 3.42Å; Y181-Q184 WeakPolarHBondContact O-CB 3.18Å; Y181-Q184 PolarHBondContact O-N 3.08Å; Y181-Q184 VanDerWaalsContact O-N 3.13Å |
| 182 | L | 45.1 | Very low | 47.7 | Very low | 96 Ų | 96 | 111 Ų | 111 | 50% | 0.503 | 60% | 0.6 | S | S | . | * | G | 310 helix | trans | -75.5 | -7.4 | 169.7 | -165.9 | 58.6 | 0 | 0 | 0 | 114.1 | F180 Q184 K185 | F180-L182 HydrophobicContact CD2-CB 4.37Å; F180-L182 HydrophobicContact CE2-CB 4.24Å; F180-L182 PolarHBondContact O-N 3.36Å; L182-Q184 VanDerWaalsContact C-N 3.29Å; L182-K185 HydrophobicContact CD1-CB 4.05Å; L182-K185 HydrophobicContact CD1-CD 4.3Å |
| 183 | S | 46.9 | Very low | 47.4 | Very low | 54 Ų | 54 | 106.1 Ų | 106.1 | 38% | 0.378 | 60% | 0.596 | S | S | . | * | G | 310 helix | trans | -67.3 | -32.4 | 162 | -146.6 | 0 | 0 | 0 | 0 | 111.5 | F180 Y181 K185 T186 | F180-S183 VanDerWaalsContact CD1-OG 3.26Å; F180-S183 WeakPolarHBondContact CD1-OG 3.3Å; F180-S183 VanDerWaalsContact CE1-CA 3.48Å; F180-S183 VanDerWaalsContact CE1-OG 3.23Å; F180-S183 WeakPolarHBondContact CE1-OG 3.12Å; F180-S183 WeakPolarHBondContact O-CA 3.23Å; F180-S183 WeakPolarHBondContact O-CB 3.39Å; F180-S183 PolarHBondContact O-N 3.5Å; Y181-S183 VanDerWaalsContact C-N 3.26Å; Y181-S183 PolarHBondContact O-N 3.42Å; S183-K185 VanDerWaalsContact C-N 3.33Å; S183-K185 PolarHBondContact O-N 3.19Å; S183-T186 PolarHBondContact O-N 3.46Å; S183-T186 PolarHBondContact O-OG1 3.05Å |
| 184 | Q | 43.9 | Very low | 47.5 | Very low | 143 Ų | 143 | 105.4 Ų | 105.4 | 67% | 0.668 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -71.5 | -21.2 | 178.4 | -69.5 | -169.3 | 2.6 | 0 | 0 | 113.6 | Y181 L182 T186 N187 | Y181-Q184 WeakPolarHBondContact O-CB 3.18Å; Y181-Q184 PolarHBondContact O-N 3.08Å; Y181-Q184 VanDerWaalsContact O-N 3.13Å; L182-Q184 VanDerWaalsContact C-N 3.29Å; Q184-T186 PolarHBondContact O-N 3.33Å; Q184-T186 VanDerWaalsContact O-N 3.13Å; Q184-N187 PolarHBondContact O-N 2.88Å |
| 185 | K | 41.6 | Very low | 47.4 | Very low | 180 Ų | 180 | 110.4 Ų | 110.4 | 78% | 0.783 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -83.3 | 29.9 | 171.7 | -156.5 | -157.3 | 170.2 | 88.5 | 0 | 112.2 | L182 S183 | L182-K185 HydrophobicContact CD1-CB 4.05Å; L182-K185 HydrophobicContact CD1-CD 4.3Å; S183-K185 VanDerWaalsContact C-N 3.33Å; S183-K185 PolarHBondContact O-N 3.19Å |
| 186 | T | 36.8 | Very low | 47.4 | Very low | 74 Ų | 74 | 112 Ų | 112 | 45% | 0.454 | 62% | 0.62 | S | S | . | * | G | 310 helix | trans | -94.3 | -25.9 | 162.1 | 54.4 | 0 | 0 | 0 | 0 | 111.9 | S183 Q184 K188 S190 | S183-T186 PolarHBondContact O-N 3.46Å; S183-T186 PolarHBondContact O-OG1 3.05Å; Q184-T186 PolarHBondContact O-N 3.33Å; Q184-T186 VanDerWaalsContact O-N 3.13Å; T186-K188 PolarHBondContact O-N 3.19Å; T186-K188 VanDerWaalsContact O-N 3.11Å; T186-S190 PolarHBondContact O-N 2.87Å |
| 187 | N | 47.6 | Very low | 47 | Very low | 131 Ų | 131 | 112.2 Ų | 112.2 | 70% | 0.701 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | 44.3 | -163.8 | -152.8 | -12.3 | 0 | 0 | 0 | 116.1 | Q184 | Q184-N187 PolarHBondContact O-N 2.88Š|
| 188 | K | 41 | Very low | 46.9 | Very low | 210 Ų | 210 | 110.6 Ų | 110.6 | 91% | 0.913 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.8 | -15.8 | 159.4 | -71.8 | -80.6 | -176.3 | 167.2 | 0 | 112.8 | T186 | T186-K188 PolarHBondContact O-N 3.19Å; T186-K188 VanDerWaalsContact O-N 3.11Å |
| 189 | A | 41.7 | Very low | 47.4 | Very low | 72 Ų | 72 | 112 Ų | 112 | 60% | 0.595 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | -6.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | A191 Q192 | A189-A191 PolarHBondContact O-N 3.32Å; A189-A191 VanDerWaalsContact O-N 3.1Å; A189-Q192 PolarHBondContact O-N 2.77Å; A189-Q192 VanDerWaalsContact O-N 3.14Å |
| 190 | S | 42.7 | Very low | 47.5 | Very low | 95 Ų | 95 | 113 Ų | 113 | 66% | 0.664 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -3.2 | 177.7 | -160.3 | 0 | 0 | 0 | 0 | 114.2 | T186 Q192 | T186-S190 PolarHBondContact O-N 2.87Å; S190-Q192 VanDerWaalsContact C-N 3.3Å |
| 191 | A | 44.4 | Very low | 47.9 | Very low | 101 Ų | 101 | 112 Ų | 112 | 84% | 0.835 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -0.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A189 | A189-A191 PolarHBondContact O-N 3.32Å; A189-A191 VanDerWaalsContact O-N 3.1Å |
| 192 | Q | 46.7 | Very low | 48.3 | Very low | 175 Ų | 175 | 106.6 Ų | 106.6 | 82% | 0.818 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -106 | 1.3 | -178.7 | -79.6 | -178.8 | -15.2 | 0 | 0 | 115.6 | A189 S190 | A189-Q192 PolarHBondContact O-N 2.77Å; A189-Q192 VanDerWaalsContact O-N 3.14Å; S190-Q192 VanDerWaalsContact C-N 3.3Å |
| 193 | G | 50.9 | Low | 49.2 | Very low | 63 Ų | 63 | 109.9 Ų | 109.9 | 65% | 0.649 | 62% | 0.624 | S | S | * | * | | | trans | 79.3 | 32.9 | 162.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 194 | D | 51.8 | Low | 50 | Low | 126 Ų | 126 | 111.7 Ų | 111.7 | 67% | 0.674 | 63% | 0.627 | S | S | * | * | | | trans | -108.7 | 107.7 | 179.2 | -149.1 | -21.7 | 0 | 0 | 0 | 112.3 | Q196 | D194-Q196 PolarHBondContact O-N 3.32Å; D194-Q196 VanDerWaalsContact O-N 3.17Å |
| 195 | F | 51.7 | Low | 51.3 | Low | 195 Ų | 195 | 107.4 Ų | 107.4 | 86% | 0.855 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -7.8 | -175.1 | -84.7 | -98 | 0 | 0 | 0 | 114.6 | G197 | F195-G197 PolarHBondContact O-N 2.99Š|
| 196 | Q | 48.7 | Very low | 52.9 | Low | 148 Ų | 148 | 104 Ų | 104 | 69% | 0.692 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -20.5 | -177.9 | -90.6 | 179.8 | 92.1 | 0 | 0 | 114.6 | D194 | D194-Q196 PolarHBondContact O-N 3.32Å; D194-Q196 VanDerWaalsContact O-N 3.17Å |
| 197 | G | 50.4 | Low | 54.6 | Low | 49 Ų | 49 | 109.4 Ų | 109.4 | 51% | 0.505 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.1 | -30.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | F195 N199 A200 | F195-G197 PolarHBondContact O-N 2.99Å; G197-N199 PolarHBondContact O-N 3.5Å; G197-A200 PolarHBondContact O-N 2.94Å |
| 198 | A | 51.4 | Low | 55.6 | Low | 77 Ų | 77 | 106.1 Ų | 106.1 | 64% | 0.636 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.5 | -32.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 199 | N | 54.7 | Low | 57.2 | Low | 106 Ų | 106 | 99.1 Ų | 99.1 | 57% | 0.567 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -78.1 | -23.8 | -176.9 | -156.5 | 17.4 | 0 | 0 | 0 | 113.1 | G197 | G197-N199 PolarHBondContact O-N 3.5Å |
| 200 | A | 54 | Low | 59 | Low | 56 Ų | 56 | 99.2 Ų | 99.2 | 46% | 0.463 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -71 | -34.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | G197 R203 Q204 | G197-A200 PolarHBondContact O-N 2.94Å; A200-R203 PolarHBondContact O-N 2.94Å; A200-Q204 PolarHBondContact O-N 3.42Å |
| 201 | A | 59.9 | Low | 60.6 | Low | 24 Ų | 24 | 99.8 Ų | 99.8 | 20% | 0.198 | 57% | 0.566 | C | S | . | * | H | α-helix | trans | -64.3 | -41.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F180 R203 Q204 A205 | F180-A201 HydrophobicContact CE1-CB 3.7Å; F180-A201 HydrophobicContact CZ-CB 3.65Å; A201-R203 PolarHBondContact O-N 3.05Å; A201-Q204 PolarHBondContact O-N 2.96Å; A201-A205 PolarHBondContact O-N 2.9Å |
| 202 | S | 62.4 | Low | 62.2 | Low | 64 Ų | 64 | 96.2 Ų | 96.2 | 45% | 0.448 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.8 | -39.7 | 178.7 | -177.4 | 0 | 0 | 0 | 0 | 112.5 | Q204 A205 L206 | S202-Q204 VanDerWaalsContact C-N 3.32Å; S202-Q204 PolarHBondContact O-N 3.46Å; S202-A205 PolarHBondContact O-N 3.5Å; S202-L206 PolarHBondContact O-N 3.38Å |
| 203 | R | 63.6 | Low | 63.8 | Low | 164 Ų | 164 | 91.1 Ų | 91.1 | 62% | 0.619 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.2 | -39.2 | 176.5 | -73.5 | -179.6 | 171.6 | -144.7 | -4 | 112.1 | A200 A201 L206 W207 | A200-R203 PolarHBondContact O-N 2.94Å; A201-R203 PolarHBondContact O-N 3.05Å; R203-L206 PolarHBondContact O-N 3.4Å; R203-W207 PolarHBondContact O-N 2.75Å |
| 204 | Q | 64.6 | Low | 65.4 | Low | 93 Ų | 93 | 91.3 Ų | 91.3 | 44% | 0.435 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.8 | -37.8 | 178.4 | -63.5 | -158.5 | -75.1 | 0 | 0 | 112.3 | F180 A200 A201 S202 L206 W207 L208 | F180-Q204 HydrophobicContact CD2-CB 4.36Å; F180-Q204 HydrophobicContact CE2-CB 3.89Å; F180-Q204 HydrophobicContact CE2-CG 4.48Å; A200-Q204 PolarHBondContact O-N 3.42Å; A201-Q204 PolarHBondContact O-N 2.96Å; S202-Q204 VanDerWaalsContact C-N 3.32Å; S202-Q204 PolarHBondContact O-N 3.46Å; Q204-L206 VanDerWaalsContact C-N 3.31Å; Q204-L206 PolarHBondContact O-N 3.3Å; Q204-W207 PolarHBondContact O-N 3.36Å; Q204-L208 VanDerWaalsContact O-CG 3.25Å; Q204-L208 WeakPolarHBondContact O-CG 3.35Å; Q204-L208 PolarHBondContact O-N 3.33Å; Q204-L208 VanDerWaalsContact O-N 3.08Å |
| 205 | A | 71.7 | Confident | 66.9 | Low | 53 Ų | 53 | 89.7 Ų | 89.7 | 44% | 0.438 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | A201 S202 L208 S209 | A201-A205 PolarHBondContact O-N 2.9Å; S202-A205 PolarHBondContact O-N 3.5Å; A205-L208 PolarHBondContact O-N 3.3Å; A205-S209 WeakPolarHBondContact O-CB 3.16Å; A205-S209 PolarHBondContact O-N 3.4Å |
| 206 | L | 74.4 | Confident | 68.3 | Low | 108 Ų | 108 | 80.6 Ų | 80.6 | 57% | 0.565 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -63.6 | -45.9 | 175.3 | -73.9 | 168.9 | 0 | 0 | 0 | 112.4 | S202 R203 Q204 L208 S209 V210 | S202-L206 PolarHBondContact O-N 3.38Å; R203-L206 PolarHBondContact O-N 3.4Å; Q204-L206 VanDerWaalsContact C-N 3.31Å; Q204-L206 PolarHBondContact O-N 3.3Å; L206-L208 VanDerWaalsContact C-N 3.3Å; L206-L208 PolarHBondContact O-N 3.05Å; L206-S209 PolarHBondContact O-N 3.02Å; L206-V210 VanDerWaalsContact O-CG2 3.26Å; L206-V210 WeakPolarHBondContact O-CG2 3.48Å; L206-V210 PolarHBondContact O-N 3.47Å |
| 207 | W | 72.5 | Confident | 70.1 | Confident | 188 Ų | 188 | 77.6 Ų | 77.6 | 71% | 0.712 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -63.2 | -35.1 | 177.8 | -77.6 | 108.1 | 0 | 0 | 0 | 113.1 | R203 Q204 V210 L211 | R203-W207 PolarHBondContact O-N 2.75Å; Q204-W207 PolarHBondContact O-N 3.36Å; W207-V210 PolarHBondContact O-N 2.97Å; W207-L211 WeakPolarHBondContact O-CB 3.22Å; W207-L211 PolarHBondContact O-N 3.44Å |
| 208 | L | 67.7 | Low | 71.8 | Confident | 62 Ų | 62 | 79.5 Ų | 79.5 | 33% | 0.325 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -71.1 | -41.3 | 176.9 | -69.6 | 168.6 | 0 | 0 | 0 | 111.9 | A179 Q204 A205 L206 V210 L211 S212 | A179-L208 HydrophobicContact CB-CD1 3.73Å; Q204-L208 VanDerWaalsContact O-CG 3.25Å; Q204-L208 WeakPolarHBondContact O-CG 3.35Å; Q204-L208 PolarHBondContact O-N 3.33Å; Q204-L208 VanDerWaalsContact O-N 3.08Å; A205-L208 PolarHBondContact O-N 3.3Å; L206-L208 VanDerWaalsContact C-N 3.3Å; L206-L208 PolarHBondContact O-N 3.05Å; L208-V210 VanDerWaalsContact C-N 3.33Å; L208-V210 PolarHBondContact O-N 3.43Å; L208-L211 PolarHBondContact O-N 2.81Å; L208-S212 VanDerWaalsContact O-CB 3.28Å; L208-S212 WeakPolarHBondContact O-CB 3.14Å; L208-S212 PolarHBondContact O-N 3.48Å |
| 209 | S | 75.3 | Confident | 73.3 | Confident | 63 Ų | 63 | 78.4 Ų | 78.4 | 44% | 0.441 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -58.3 | -46.6 | 171.6 | -176.7 | 0 | 0 | 0 | 0 | 110.9 | A205 L206 L211 S212 I213 | A205-S209 WeakPolarHBondContact O-CB 3.16Å; A205-S209 PolarHBondContact O-N 3.4Å; L206-S209 PolarHBondContact O-N 3.02Å; S209-L211 PolarHBondContact O-N 2.86Å; S209-S212 WeakPolarHBondContact O-CB 3.3Å; S209-S212 PolarHBondContact O-N 3.29Å; S209-I213 WeakPolarHBondContact O-CD1 3.42Å; S209-I213 VanDerWaalsContact O-CG1 3.22Å; S209-I213 WeakPolarHBondContact O-CG1 3.24Å; S209-I213 PolarHBondContact O-N 3.43Å |
| 210 | V | 79.2 | Confident | 74.7 | Confident | 74 Ų | 74 | 80.6 Ų | 80.6 | 45% | 0.448 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 177.6 | 172.2 | 0 | 0 | 0 | 0 | 112.2 | L206 W207 L208 S212 I213 V214 | L206-V210 VanDerWaalsContact O-CG2 3.26Å; L206-V210 WeakPolarHBondContact O-CG2 3.48Å; L206-V210 PolarHBondContact O-N 3.47Å; W207-V210 PolarHBondContact O-N 2.97Å; L208-V210 VanDerWaalsContact C-N 3.33Å; L208-V210 PolarHBondContact O-N 3.43Å; V210-S212 VanDerWaalsContact C-N 3.34Å; V210-S212 PolarHBondContact O-N 3.5Å; V210-I213 PolarHBondContact O-N 2.84Å; V210-V214 WeakPolarHBondContact O-CG2 3.48Å; V210-V214 PolarHBondContact O-N 2.86Å |
| 211 | L | 77.6 | Confident | 76.5 | Confident | 107 Ų | 107 | 82.7 Ų | 82.7 | 56% | 0.56 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -65.8 | -38.6 | -179.9 | -169.7 | 66.6 | 0 | 0 | 0 | 112 | W207 L208 S209 V214 F215 | W207-L211 WeakPolarHBondContact O-CB 3.22Å; W207-L211 PolarHBondContact O-N 3.44Å; L208-L211 PolarHBondContact O-N 2.81Å; S209-L211 PolarHBondContact O-N 2.86Å; L211-V214 PolarHBondContact O-N 3.38Å; L211-F215 WeakPolarHBondContact O-CB 3.41Å; L211-F215 PolarHBondContact O-N 3.45Å |
| 212 | S | 76.6 | Confident | 77.9 | Confident | 26 Ų | 26 | 85.2 Ų | 85.2 | 18% | 0.182 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -58.7 | -48.2 | 173.3 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | C170 L208 S209 V210 V214 F215 G216 | C170-S212 VanDerWaalsContact CA-OG 3.27Å; C170-S212 WeakPolarHBondContact CA-OG 3.39Å; C170-S212 PolarHBondContact SG-OG 2.87Å; C170-S212 VanDerWaalsContact SG-OG 3.32Å; L208-S212 VanDerWaalsContact O-CB 3.28Å; L208-S212 WeakPolarHBondContact O-CB 3.14Å; L208-S212 PolarHBondContact O-N 3.48Å; S209-S212 WeakPolarHBondContact O-CB 3.3Å; S209-S212 PolarHBondContact O-N 3.29Å; V210-S212 VanDerWaalsContact C-N 3.34Å; V210-S212 PolarHBondContact O-N 3.5Å; S212-V214 PolarHBondContact O-N 2.84Å; S212-F215 PolarHBondContact O-N 3.31Å; S212-G216 PolarHBondContact O-N 2.95Å |
| 213 | I | 81.8 | Confident | 79.1 | Confident | 68 Ų | 68 | 84.9 Ų | 84.9 | 35% | 0.349 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.9 | -47.3 | 177.1 | -66.8 | 163 | 0 | 0 | 0 | 110.6 | F166 S209 V210 F215 G216 I217 | F166-I213 HydrophobicContact CZ-CG1 4.14Å; S209-I213 WeakPolarHBondContact O-CD1 3.42Å; S209-I213 VanDerWaalsContact O-CG1 3.22Å; S209-I213 WeakPolarHBondContact O-CG1 3.24Å; S209-I213 PolarHBondContact O-N 3.43Å; V210-I213 PolarHBondContact O-N 2.84Å; I213-F215 PolarHBondContact O-N 3.42Å; I213-G216 PolarHBondContact O-N 3.47Å; I213-I217 HydrophobicContact CG2-CD1 3.82Å; I213-I217 VanDerWaalsContact O-CG1 3.27Å; I213-I217 WeakPolarHBondContact O-CG1 3.33Å; I213-I217 PolarHBondContact O-N 3.29Å |
| 214 | V | 84.3 | Confident | 80.3 | Confident | 67 Ų | 67 | 80.3 Ų | 80.3 | 41% | 0.406 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 180 | 173.1 | 0 | 0 | 0 | 0 | 111.6 | V210 L211 S212 G216 I217 I218 | V210-V214 WeakPolarHBondContact O-CG2 3.48Å; V210-V214 PolarHBondContact O-N 2.86Å; L211-V214 PolarHBondContact O-N 3.38Å; S212-V214 PolarHBondContact O-N 2.84Å; V214-G216 PolarHBondContact O-N 2.79Å; V214-I217 PolarHBondContact O-N 3.01Å; V214-I218 HydrophobicContact CG1-CD1 3.81Å; V214-I218 HydrophobicContact CG1-CG1 4.48Å; V214-I218 VanDerWaalsContact O-CG1 3.31Å; V214-I218 WeakPolarHBondContact O-CG1 3.28Å; V214-I218 PolarHBondContact O-N 3.49Å |
| 215 | F | 82.4 | Confident | 81.7 | Confident | 91 Ų | 91 | 78.1 Ų | 78.1 | 40% | 0.399 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.6 | -38 | 179.5 | -150.4 | -90 | 0 | 0 | 0 | 112.2 | W173 L211 S212 I213 I218 T219 | W173-F215 HydrophobicContact CE3-CD1 4.4Å; W173-F215 AromaticContact CE3-CE1 4Å; W173-F215 HydrophobicContact CE3-CE1 4Å; W173-F215 HydrophobicContact CE3-CZ 4.22Å; W173-F215 AromaticContact CH2-CE1 3.81Å; W173-F215 HydrophobicContact CH2-CE1 3.81Å; W173-F215 HydrophobicContact CH2-CE2 4.18Å; W173-F215 AromaticContact CH2-CZ 3.4Å; W173-F215 HydrophobicContact CH2-CZ 3.4Å; W173-F215 HydrophobicContact CZ2-CZ 4.41Å; W173-F215 HydrophobicContact CZ3-CD1 4.17Å; W173-F215 HydrophobicContact CZ3-CD2 4.41Å; W173-F215 AromaticContact CZ3-CE1 3.49Å; W173-F215 HydrophobicContact CZ3-CE1 3.49Å; W173-F215 VanDerWaalsContact CZ3-CE1 3.49Å; W173-F215 AromaticContact CZ3-CE2 3.78Å; W173-F215 HydrophobicContact CZ3-CE2 3.78Å; W173-F215 AromaticContact CZ3-CZ 3.27Å; W173-F215 HydrophobicContact CZ3-CZ 3.27Å; L211-F215 WeakPolarHBondContact O-CB 3.41Å; L211-F215 PolarHBondContact O-N 3.45Å; S212-F215 PolarHBondContact O-N 3.31Å; I213-F215 PolarHBondContact O-N 3.42Å; F215-I218 PolarHBondContact O-N 3.35Å; F215-T219 WeakPolarHBondContact O-CB 3.31Å; F215-T219 PolarHBondContact O-N 3.35Å; F215-T219 PolarHBondContact O-OG1 3.22Å |
| 216 | G | 81.9 | Confident | 82.6 | Confident | 5 Ų | 5 | 78.4 Ų | 78.4 | 5% | 0.052 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S212 I213 V214 T219 Y220 | S212-G216 PolarHBondContact O-N 2.95Å; I213-G216 PolarHBondContact O-N 3.47Å; V214-G216 PolarHBondContact O-N 2.79Å; G216-T219 PolarHBondContact O-N 3.04Å; G216-Y220 VanDerWaalsContact O-CB 3.28Å; G216-Y220 WeakPolarHBondContact O-CB 3.27Å; G216-Y220 PolarHBondContact O-N 3.41Å |
| 217 | I | 85.8 | Confident | 83.3 | Confident | 85 Ų | 85 | 78 Ų | 78 | 44% | 0.436 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64 | -45.6 | 178.8 | -65 | 162.9 | 0 | 0 | 0 | 111.3 | I213 V214 T219 Y220 I221 | I213-I217 HydrophobicContact CG2-CD1 3.82Å; I213-I217 VanDerWaalsContact O-CG1 3.27Å; I213-I217 WeakPolarHBondContact O-CG1 3.33Å; I213-I217 PolarHBondContact O-N 3.29Å; V214-I217 PolarHBondContact O-N 3.01Å; I217-T219 PolarHBondContact O-N 3.38Å; I217-Y220 PolarHBondContact O-N 2.8Å; I217-I221 HydrophobicContact CG2-CD1 3.81Å; I217-I221 VanDerWaalsContact O-CG1 3.32Å; I217-I221 WeakPolarHBondContact O-CG1 3.18Å; I217-I221 PolarHBondContact O-N 3.44Å |
| 218 | I | 86.5 | Confident | 84.3 | Confident | 89 Ų | 89 | 73.8 Ų | 73.8 | 46% | 0.456 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.5 | -48.4 | 178.8 | -66.8 | 165 | 0 | 0 | 0 | 110.3 | V214 F215 Y220 I221 C222 | V214-I218 HydrophobicContact CG1-CD1 3.81Å; V214-I218 HydrophobicContact CG1-CG1 4.48Å; V214-I218 VanDerWaalsContact O-CG1 3.31Å; V214-I218 WeakPolarHBondContact O-CG1 3.28Å; V214-I218 PolarHBondContact O-N 3.49Å; F215-I218 PolarHBondContact O-N 3.35Å; I218-Y220 VanDerWaalsContact C-N 3.32Å; I218-Y220 PolarHBondContact O-N 3.5Å; I218-I221 PolarHBondContact O-N 3.01Å; I218-C222 WeakPolarHBondContact O-CB 3.4Å; I218-C222 PolarHBondContact O-N 2.92Å; I218-C222 PolarHBondContact O-SG 2.93Å; I218-C222 VanDerWaalsContact O-SG 3.35Å |
| 219 | T | 83 | Confident | 85.5 | Confident | 53 Ų | 53 | 74.3 Ų | 74.3 | 33% | 0.325 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63 | -40.2 | -179.4 | -52.4 | 0 | 0 | 0 | 0 | 111.4 | L169 F215 G216 I217 C222 A223 | L169-T219 HydrophobicContact CD1-CG2 4.38Å; F215-T219 WeakPolarHBondContact O-CB 3.31Å; F215-T219 PolarHBondContact O-N 3.35Å; F215-T219 PolarHBondContact O-OG1 3.22Å; G216-T219 PolarHBondContact O-N 3.04Å; I217-T219 PolarHBondContact O-N 3.38Å; T219-C222 PolarHBondContact O-N 3.46Å; T219-A223 WeakPolarHBondContact O-CB 3.26Å; T219-A223 PolarHBondContact O-N 3.04Å |
| 220 | Y | 84.6 | Confident | 86.3 | Confident | 152 Ų | 152 | 78.3 Ų | 78.3 | 60% | 0.596 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -60 | -49.2 | 175.9 | 177.3 | -109.7 | 0 | 0 | 0 | 112 | G216 I217 I218 C222 A223 I224 | G216-Y220 VanDerWaalsContact O-CB 3.28Å; G216-Y220 WeakPolarHBondContact O-CB 3.27Å; G216-Y220 PolarHBondContact O-N 3.41Å; I217-Y220 PolarHBondContact O-N 2.8Å; I218-Y220 VanDerWaalsContact C-N 3.32Å; I218-Y220 PolarHBondContact O-N 3.5Å; Y220-C222 PolarHBondContact O-N 2.85Å; Y220-A223 PolarHBondContact O-N 3.48Å; Y220-I224 HydrophobicContact CD1-CD1 3.91Å; Y220-I224 HydrophobicContact CD2-CD1 4.21Å; Y220-I224 HydrophobicContact CE1-CD1 3.45Å; Y220-I224 VanDerWaalsContact CE1-CD1 3.45Å; Y220-I224 HydrophobicContact CE2-CD1 3.78Å; Y220-I224 HydrophobicContact CE2-CG1 4.49Å; Y220-I224 HydrophobicContact CG-CD1 4.28Å; Y220-I224 WeakPolarHBondContact O-CG1 3.18Å; Y220-I224 PolarHBondContact O-N 2.89Å; Y220-I224 VanDerWaalsContact O-N 3.11Å |
| 221 | I | 91.3 | Very high | 86.8 | Confident | 101 Ų | 101 | 80 Ų | 80 | 52% | 0.518 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 178.5 | -64.5 | 167.6 | 0 | 0 | 0 | 110.7 | I217 I218 A223 I224 A225 | I217-I221 HydrophobicContact CG2-CD1 3.81Å; I217-I221 VanDerWaalsContact O-CG1 3.32Å; I217-I221 WeakPolarHBondContact O-CG1 3.18Å; I217-I221 PolarHBondContact O-N 3.44Å; I218-I221 PolarHBondContact O-N 3.01Å; I221-A223 PolarHBondContact O-N 3.4Å; I221-I224 PolarHBondContact O-N 3.26Å; I221-A225 WeakPolarHBondContact O-CB 3.29Å; I221-A225 PolarHBondContact O-N 2.95Å |
| 222 | C | 89.9 | Confident | 87.2 | Confident | 76 Ų | 76 | 79.6 Ų | 79.6 | 51% | 0.514 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 177 | -73.4 | 0 | 0 | 0 | 0 | 112.6 | I218 T219 Y220 A225 A226 | I218-C222 WeakPolarHBondContact O-CB 3.4Å; I218-C222 PolarHBondContact O-N 2.92Å; I218-C222 PolarHBondContact O-SG 2.93Å; I218-C222 VanDerWaalsContact O-SG 3.35Å; T219-C222 PolarHBondContact O-N 3.46Å; Y220-C222 PolarHBondContact O-N 2.85Å; C222-A225 PolarHBondContact O-N 3.36Å; C222-A226 VanDerWaalsContact O-CB 3.26Å; C222-A226 WeakPolarHBondContact O-CB 3.39Å; C222-A226 PolarHBondContact O-N 3.49Å |
| 223 | A | 86.1 | Confident | 87.5 | Confident | 58 Ų | 58 | 82 Ų | 82 | 48% | 0.479 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | T219 Y220 I221 A226 L227 | T219-A223 WeakPolarHBondContact O-CB 3.26Å; T219-A223 PolarHBondContact O-N 3.04Å; Y220-A223 PolarHBondContact O-N 3.48Å; I221-A223 PolarHBondContact O-N 3.4Å; A223-A226 PolarHBondContact O-N 3.34Å; A223-L227 VanDerWaalsContact O-CB 3.29Å; A223-L227 WeakPolarHBondContact O-CB 3.32Å; A223-L227 PolarHBondContact O-N 2.86Å |
| 224 | I | 89.3 | Confident | 87.4 | Confident | 68 Ų | 68 | 85.4 Ų | 85.4 | 35% | 0.349 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.2 | -47.8 | 175.6 | -67.2 | 168.3 | 0 | 0 | 0 | 110.7 | Y220 I221 A226 L227 I228 | Y220-I224 HydrophobicContact CD1-CD1 3.91Å; Y220-I224 HydrophobicContact CD2-CD1 4.21Å; Y220-I224 HydrophobicContact CE1-CD1 3.45Å; Y220-I224 VanDerWaalsContact CE1-CD1 3.45Å; Y220-I224 HydrophobicContact CE2-CD1 3.78Å; Y220-I224 HydrophobicContact CE2-CG1 4.49Å; Y220-I224 HydrophobicContact CG-CD1 4.28Å; Y220-I224 WeakPolarHBondContact O-CG1 3.18Å; Y220-I224 PolarHBondContact O-N 2.89Å; Y220-I224 VanDerWaalsContact O-N 3.11Å; I221-I224 PolarHBondContact O-N 3.26Å; I224-A226 VanDerWaalsContact C-N 3.34Å; I224-A226 PolarHBondContact O-N 3.02Å; I224-L227 PolarHBondContact O-N 3.3Å; I224-I228 HydrophobicContact CG2-CD1 3.67Å; I224-I228 HydrophobicContact CG2-CG1 4.38Å; I224-I228 VanDerWaalsContact O-CG1 3.28Å; I224-I228 WeakPolarHBondContact O-CG1 3.13Å; I224-I228 PolarHBondContact O-N 3.27Å |
| 225 | A | 92.9 | Very high | 86.6 | Confident | 47 Ų | 47 | 87.9 Ų | 87.9 | 39% | 0.388 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.2 | -41.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I221 C222 I228 S229 | I221-A225 WeakPolarHBondContact O-CB 3.29Å; I221-A225 PolarHBondContact O-N 2.95Å; C222-A225 PolarHBondContact O-N 3.36Å; A225-I228 PolarHBondContact O-N 3.37Å; A225-S229 VanDerWaalsContact O-CB 3.27Å; A225-S229 WeakPolarHBondContact O-CB 3.27Å; A225-S229 PolarHBondContact O-N 3.11Å; A225-S229 PolarHBondContact O-OG 2.9Å |
| 226 | A | 91.4 | Very high | 85.5 | Confident | 59 Ų | 59 | 92.4 Ų | 92.4 | 49% | 0.488 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | C222 A223 I224 S229 Y230 | C222-A226 VanDerWaalsContact O-CB 3.26Å; C222-A226 WeakPolarHBondContact O-CB 3.39Å; C222-A226 PolarHBondContact O-N 3.49Å; A223-A226 PolarHBondContact O-N 3.34Å; I224-A226 VanDerWaalsContact C-N 3.34Å; I224-A226 PolarHBondContact O-N 3.02Å; A226-S229 PolarHBondContact O-N 3.43Å; A226-Y230 WeakPolarHBondContact O-CB 3.43Å; A226-Y230 PolarHBondContact O-N 3.11Å |
| 227 | L | 89.4 | Confident | 85.7 | Confident | 99 Ų | 99 | 96.8 Ų | 96.8 | 52% | 0.518 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.6 | -48.5 | 176.1 | -179.5 | 63.5 | 0 | 0 | 0 | 111.3 | A223 I224 S229 Y230 L231 | A223-L227 VanDerWaalsContact O-CB 3.29Å; A223-L227 WeakPolarHBondContact O-CB 3.32Å; A223-L227 PolarHBondContact O-N 2.86Å; I224-L227 PolarHBondContact O-N 3.3Å; L227-S229 VanDerWaalsContact C-N 3.33Å; L227-S229 PolarHBondContact O-N 3.48Å; L227-Y230 PolarHBondContact O-N 3.5Å; L227-L231 HydrophobicContact CD1-CD1 4.26Å; L227-L231 HydrophobicContact CD1-CG 4.32Å; L227-L231 HydrophobicContact CG-CD1 4.15Å; L227-L231 WeakPolarHBondContact O-CB 3.26Å; L227-L231 VanDerWaalsContact O-CG 3.26Å; L227-L231 WeakPolarHBondContact O-CG 3.47Å; L227-L231 PolarHBondContact O-N 2.91Å |
| 228 | I | 93.1 | Very high | 85.7 | Confident | 99 Ų | 99 | 97.4 Ų | 97.4 | 51% | 0.508 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61 | -44.9 | 177.5 | -66.4 | 166.9 | 0 | 0 | 0 | 110.5 | I224 A225 Y230 L231 S232 | I224-I228 HydrophobicContact CG2-CD1 3.67Å; I224-I228 HydrophobicContact CG2-CG1 4.38Å; I224-I228 VanDerWaalsContact O-CG1 3.28Å; I224-I228 WeakPolarHBondContact O-CG1 3.13Å; I224-I228 PolarHBondContact O-N 3.27Å; A225-I228 PolarHBondContact O-N 3.37Å; I228-Y230 VanDerWaalsContact C-N 3.34Å; I228-Y230 PolarHBondContact O-N 3.47Å; I228-L231 PolarHBondContact O-N 3.41Å; I228-S232 WeakPolarHBondContact O-CB 2.96Å; I228-S232 PolarHBondContact O-N 2.88Å; I228-S232 PolarHBondContact O-OG 3.36Å |
| 229 | S | 93.2 | Very high | 85.6 | Confident | 74 Ų | 74 | 97.9 Ų | 97.9 | 52% | 0.517 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63 | -41.6 | 178 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | A225 A226 L227 S232 A233 | A225-S229 VanDerWaalsContact O-CB 3.27Å; A225-S229 WeakPolarHBondContact O-CB 3.27Å; A225-S229 PolarHBondContact O-N 3.11Å; A225-S229 PolarHBondContact O-OG 2.9Å; A226-S229 PolarHBondContact O-N 3.43Å; L227-S229 VanDerWaalsContact C-N 3.33Å; L227-S229 PolarHBondContact O-N 3.48Å; S229-S232 PolarHBondContact O-N 2.72Å; S229-A233 WeakPolarHBondContact O-CB 3.32Å; S229-A233 PolarHBondContact O-N 3.45Å |
| 230 | Y | 91.9 | Very high | 85.8 | Confident | 146 Ų | 146 | 100.5 Ų | 100.5 | 57% | 0.573 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65.7 | -43.7 | 177.8 | 176.3 | -102.1 | 0 | 0 | 0 | 112.1 | A226 L227 I228 S232 A233 K234 | A226-Y230 WeakPolarHBondContact O-CB 3.43Å; A226-Y230 PolarHBondContact O-N 3.11Å; L227-Y230 PolarHBondContact O-N 3.5Å; I228-Y230 VanDerWaalsContact C-N 3.34Å; I228-Y230 PolarHBondContact O-N 3.47Å; Y230-S232 VanDerWaalsContact C-N 3.3Å; Y230-S232 PolarHBondContact O-N 2.75Å; Y230-A233 PolarHBondContact O-N 2.91Å; Y230-K234 PolarHBondContact O-N 3.26Å; Y230-K234 VanDerWaalsContact O-N 3.11Å |
| 231 | L | 89.2 | Confident | 85.8 | Confident | 111 Ų | 111 | 97.3 Ų | 97.3 | 58% | 0.581 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65 | -36.3 | 175.7 | -68.3 | 175 | 0 | 0 | 0 | 111.7 | L227 I228 | L227-L231 HydrophobicContact CD1-CD1 4.26Å; L227-L231 HydrophobicContact CD1-CG 4.32Å; L227-L231 HydrophobicContact CG-CD1 4.15Å; L227-L231 WeakPolarHBondContact O-CB 3.26Å; L227-L231 VanDerWaalsContact O-CG 3.26Å; L227-L231 WeakPolarHBondContact O-CG 3.47Å; L227-L231 PolarHBondContact O-N 2.91Å; I228-L231 PolarHBondContact O-N 3.41Å |
| 232 | S | 86.9 | Confident | 85.5 | Confident | 98 Ų | 98 | 97.1 Ų | 97.1 | 69% | 0.685 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -74.4 | -28.6 | 177 | -55.2 | 0 | 0 | 0 | 0 | 112.7 | I228 S229 Y230 | I228-S232 WeakPolarHBondContact O-CB 2.96Å; I228-S232 PolarHBondContact O-N 2.88Å; I228-S232 PolarHBondContact O-OG 3.36Å; S229-S232 PolarHBondContact O-N 2.72Å; Y230-S232 VanDerWaalsContact C-N 3.3Å; Y230-S232 PolarHBondContact O-N 2.75Å |
| 233 | A | 81.9 | Confident | 85.2 | Confident | 76 Ų | 76 | 98.6 Ų | 98.6 | 63% | 0.628 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -90.7 | -5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | S229 Y230 P235 | S229-A233 WeakPolarHBondContact O-CB 3.32Å; S229-A233 PolarHBondContact O-N 3.45Å; Y230-A233 PolarHBondContact O-N 2.91Å; A233-P235 WeakPolarHBondContact O-CD 3.28Å |
| 234 | K | 80.7 | Confident | 85.1 | Confident | 140 Ų | 140 | 101.7 Ų | 101.7 | 61% | 0.609 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -89.3 | 95.5 | 171.7 | -170.2 | -178.8 | 176.2 | 73.6 | 0 | 108.4 | Y230 S236 | Y230-K234 PolarHBondContact O-N 3.26Å; Y230-K234 VanDerWaalsContact O-N 3.11Å; K234-S236 PolarHBondContact O-N 3.37Å |
| 235 | P | 66.7 | Low | 84.7 | Confident | 118 Ų | 118 | 104.5 Ų | 104.5 | 77% | 0.766 | 63% | 0.631 | S | S | * | * | | | trans | -63.5 | 125.8 | 171.9 | 28.4 | -34.3 | 0 | 0 | 0 | 108.2 | A233 | A233-P235 WeakPolarHBondContact O-CD 3.28Š|
| 236 | S | 59.4 | Low | 84 | Confident | 187 Ų | 187 | 109.7 Ų | 109.7 | 100% | 1.308 | 65% | 0.653 | S | S | * | * | | | trans | -58.5 | 0 | 169.6 | 56.3 | 0 | 0 | 0 | 0 | 111.6 | K234 | K234-S236 PolarHBondContact O-N 3.37Š|