| 1 | M | 35.9 | Very low | 39.9 | Very low | 233 Ų | 233 | 132.5 Ų | 132.5 | 100% | 1.148 | 87% | 0.872 | S | S | * | * | | | | 0 | 136.4 | 0 | -73.2 | 161.9 | 134.3 | 0 | 0 | 108.2 | | |
| 2 | T | 37.1 | Very low | 39.8 | Very low | 133 Ų | 133 | 128.8 Ų | 128.8 | 82% | 0.816 | 86% | 0.86 | S | S | * | * | | | trans | 37.7 | 109.6 | 155.6 | 43.6 | 0 | 0 | 0 | 0 | 119.4 | | |
| 3 | A | 37.9 | Very low | 40 | Very low | 100 Ų | 100 | 133.2 Ų | 133.2 | 83% | 0.826 | 86% | 0.856 | S | S | * | * | | | | 91.7 | 150.3 | 92.1 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 4 | A | 44.2 | Very low | 39.5 | Very low | 91 Ų | 91 | 137.1 Ų | 137.1 | 75% | 0.752 | 87% | 0.865 | S | S | * | * | | | cis | -145.5 | 137.4 | -3.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 5 | A | 38.5 | Very low | 39.2 | Very low | 103 Ų | 103 | 139.8 Ų | 139.8 | 85% | 0.851 | 86% | 0.859 | S | S | * | * | | | | 56.7 | 117.3 | 86.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 6 | G | 36.3 | Very low | 39 | Very low | 76 Ų | 76 | 145.8 Ų | 145.8 | 78% | 0.784 | 86% | 0.861 | S | S | * | * | | | trans | 97.1 | 100.7 | 141.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 7 | V | 39 | Very low | 38.9 | Very low | 153 Ų | 153 | 147.2 Ų | 147.2 | 93% | 0.927 | 86% | 0.857 | S | S | * | * | | | trans | -129.3 | 82 | 151.4 | -173.9 | 0 | 0 | 0 | 0 | 109 | | |
| 8 | L | 44.9 | Very low | 38.5 | Very low | 157 Ų | 157 | 147 Ų | 147 | 82% | 0.822 | 85% | 0.852 | S | S | * | * | | | trans | -135.7 | 154.5 | 168 | -83.2 | 174.2 | 0 | 0 | 0 | 108.9 | | |
| 9 | T | 45.1 | Very low | 38.5 | Very low | 150 Ų | 150 | 145.9 Ų | 145.9 | 92% | 0.92 | 85% | 0.854 | S | S | * | * | | | trans | 74.6 | 137 | 177.6 | 77.6 | 0 | 0 | 0 | 0 | 115.8 | | |
| 10 | G | 41.2 | Very low | 38.2 | Very low | 75 Ų | 75 | 144 Ų | 144 | 77% | 0.773 | 86% | 0.855 | S | S | * | * | | | trans | 163.7 | -9.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | A12 | G10-A12 PolarHBondContact O-N 3.03Š|
| 11 | L | 39.1 | Very low | 38 | Very low | 186 Ų | 186 | 148.7 Ų | 148.7 | 97% | 0.974 | 86% | 0.858 | S | S | * | * | | | trans | -71.6 | 88.6 | 169.1 | -84.3 | 174.6 | 0 | 0 | 0 | 111 | | |
| 12 | A | 38.8 | Very low | 37.8 | Very low | 88 Ų | 88 | 143 Ų | 143 | 73% | 0.727 | 84% | 0.842 | S | S | * | * | | | trans | -156.9 | 137.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | G10 | G10-A12 PolarHBondContact O-N 3.03Š|
| 13 | K | 41.6 | Very low | 37.6 | Very low | 187 Ų | 187 | 145 Ų | 145 | 81% | 0.813 | 84% | 0.842 | S | S | * | * | | | trans | 72.4 | 54.5 | 138.8 | -154.2 | -177.2 | -172.7 | 177.5 | 0 | 118.8 | K15 | K13-K15 VanDerWaalsContact C-N 3.26Å; K13-K15 HydrophobicContact CG-CB 4.46Å; K13-K15 PolarHBondContact O-N 2.98Å |
| 14 | L | 33.8 | Very low | 37.2 | Very low | 187 Ų | 187 | 149.6 Ų | 149.6 | 98% | 0.979 | 85% | 0.846 | S | S | * | * | | | trans | -78.1 | 79.8 | 153.3 | -167.7 | 62.8 | 0 | 0 | 0 | 110.2 | | |
| 15 | K | 35.1 | Very low | 36.6 | Very low | 178 Ų | 178 | 155.7 Ų | 155.7 | 77% | 0.774 | 85% | 0.849 | S | S | * | * | | | trans | -94.9 | 138.2 | 173 | -174.8 | 175.2 | 177.3 | -179.9 | 0 | 109.2 | K13 | K13-K15 VanDerWaalsContact C-N 3.26Å; K13-K15 HydrophobicContact CG-CB 4.46Å; K13-K15 PolarHBondContact O-N 2.98Å |
| 16 | R | 36 | Very low | 37 | Very low | 235 Ų | 235 | 155.7 Ų | 155.7 | 89% | 0.887 | 84% | 0.84 | S | S | * | * | | | trans | -49.5 | 144.6 | 177.3 | -54.5 | 173.8 | 179.2 | -162.6 | -2.3 | 112.7 | | |
| 17 | Q | 37.1 | Very low | 36.8 | Very low | 170 Ų | 170 | 158.1 Ų | 158.1 | 79% | 0.794 | 84% | 0.84 | S | S | * | * | | | | -170.5 | 121.5 | 125.9 | -96 | -164.2 | -85.8 | 0 | 0 | 108.6 | | |
| 18 | D | 32.4 | Very low | 37.1 | Very low | 144 Ų | 144 | 155.9 Ų | 155.9 | 77% | 0.77 | 83% | 0.828 | S | S | * | * | | | | 71 | 114.6 | 103.3 | -66.4 | -28.1 | 0 | 0 | 0 | 114.4 | | |
| 19 | S | 37 | Very low | 37 | Very low | 126 Ų | 126 | 154.4 Ų | 154.4 | 88% | 0.881 | 83% | 0.828 | S | S | * | * | | | trans | -142.1 | 103.2 | 163.2 | -171.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 20 | A | 34.2 | Very low | 36.3 | Very low | 107 Ų | 107 | 151.8 Ų | 151.8 | 88% | 0.884 | 82% | 0.821 | S | S | * | * | | | trans | -124 | 105.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 21 | R | 32.3 | Very low | 35.8 | Very low | 243 Ų | 243 | 153.5 Ų | 153.5 | 92% | 0.917 | 82% | 0.822 | S | S | * | * | | | trans | -156.2 | 95.8 | 173.4 | -164.9 | 173.7 | -173.1 | 173.7 | 2 | 112.4 | | |
| 22 | S | 31.6 | Very low | 35.4 | Very low | 115 Ų | 115 | 153.5 Ų | 153.5 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | | | trans | -145.8 | 117.4 | 153 | 57.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 23 | Q | 33.6 | Very low | 34.9 | Very low | 175 Ų | 175 | 152.8 Ų | 152.8 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | trans | -161.2 | 126.3 | 169.6 | -96.4 | -66 | -20.8 | 0 | 0 | 107 | | |
| 24 | H | 30.1 | Very low | 34.4 | Very low | 196 Ų | 196 | 152.4 Ų | 152.4 | 91% | 0.907 | 82% | 0.823 | S | S | * | * | | | trans | -148 | 152.4 | 159.2 | -132.3 | -98 | 0 | 0 | 0 | 109.7 | | |
| 25 | R | 32 | Very low | 34.3 | Very low | 219 Ų | 219 | 147.8 Ų | 147.8 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | | | trans | -105.8 | -166 | -154.1 | -124.2 | -179.6 | 165.2 | 166 | -5 | 112.1 | | |
| 26 | P | 45.9 | Very low | 34.4 | Very low | 102 Ų | 102 | 146.6 Ų | 146.6 | 66% | 0.662 | 82% | 0.815 | S | S | * | * | | | cis | -128.3 | -174 | -21.2 | 26.8 | -1.1 | 0 | 0 | 0 | 111.9 | | |
| 27 | V | 33.1 | Very low | 34.6 | Very low | 128 Ų | 128 | 140.8 Ų | 140.8 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | | | | -163.1 | 140.2 | 52.6 | 164.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 28 | P | 45.3 | Very low | 34.2 | Very low | 105 Ų | 105 | 136.3 Ų | 136.3 | 68% | 0.682 | 81% | 0.807 | S | S | * | * | | | trans | -85.7 | 173.8 | 177.2 | 39.9 | -39.8 | 0 | 0 | 0 | 112.5 | | |
| 29 | P | 41.8 | Very low | 34.1 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | | | cis | -117.7 | -172.1 | 31.3 | 45 | -33.1 | 0 | 0 | 0 | 114 | | |
| 30 | A | 30.6 | Very low | 34 | Very low | 94 Ų | 94 | 138.8 Ų | 138.8 | 78% | 0.777 | 81% | 0.814 | S | S | * | * | | | cis | -145.7 | -173.8 | 13.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 31 | S | 31.6 | Very low | 33.9 | Very low | 111 Ų | 111 | 137.2 Ų | 137.2 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | | | cis | -145.2 | -83 | 5.7 | 50.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 32 | Q | 29.8 | Very low | 34.1 | Very low | 187 Ų | 187 | 129.8 Ų | 129.8 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | | | trans | -149.6 | 141.8 | -166.6 | -63.4 | 170.8 | -5.8 | 0 | 0 | 109.3 | | |
| 33 | G | 29.1 | Very low | 34.5 | Very low | 72 Ų | 72 | 129.9 Ų | 129.9 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | | | cis | -176.1 | 168 | -6.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 34 | L | 31.1 | Very low | 34.8 | Very low | 179 Ų | 179 | 133.1 Ų | 133.1 | 94% | 0.937 | 80% | 0.801 | S | S | * | * | | | trans | 63.3 | 122.2 | 153.5 | -134 | 65.8 | 0 | 0 | 0 | 122.8 | | |
| 35 | A | 30.6 | Very low | 35.3 | Very low | 90 Ų | 90 | 133.1 Ų | 133.1 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | | | trans | 73.6 | 74.4 | 147.9 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 36 | N | 36.9 | Very low | 35.9 | Very low | 154 Ų | 154 | 134.6 Ų | 134.6 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | | | | 21.1 | 155.4 | 102.9 | -135.4 | 33.1 | 0 | 0 | 0 | 119.7 | | |
| 37 | P | 39.8 | Very low | 35.4 | Very low | 112 Ų | 112 | 138.7 Ų | 138.7 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | | | | -130.7 | 152.3 | -61.9 | 36.5 | -21.7 | 0 | 0 | 0 | 113.5 | | |
| 38 | G | 29.2 | Very low | 35.7 | Very low | 77 Ų | 77 | 144 Ų | 144 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | | | trans | -139.2 | 103.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | E40 | G38-E40 PolarHBondContact O-N 2.87Š|
| 39 | S | 30.8 | Very low | 35.1 | Very low | 127 Ų | 127 | 149.4 Ų | 149.4 | 89% | 0.888 | 82% | 0.824 | S | S | * | * | | | trans | -81.5 | 93.5 | 179.4 | 58.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 40 | E | 34.1 | Very low | 35 | Very low | 195 Ų | 195 | 149.4 Ų | 149.4 | 91% | 0.911 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 134.1 | 168.2 | -86.2 | -159.6 | 104.3 | 0 | 0 | 111.6 | G38 A42 | G38-E40 PolarHBondContact O-N 2.87Å; E40-A42 PolarHBondContact O-N 3.16Å |
| 41 | G | 32.7 | Very low | 34.8 | Very low | 73 Ų | 73 | 150.5 Ų | 150.5 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 122.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 42 | A | 37.1 | Very low | 35 | Very low | 87 Ų | 87 | 150.7 Ų | 150.7 | 72% | 0.719 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -52 | 135.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111 | E40 R44 | E40-A42 PolarHBondContact O-N 3.16Å; A42-R44 PolarHBondContact O-N 3.26Å; A42-R44 VanDerWaalsContact O-N 3.13Å |
| 43 | P | 40.1 | Very low | 35.1 | Very low | 117 Ų | 117 | 145.9 Ų | 145.9 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -60 | 122.9 | -176.4 | 23 | -33.1 | 0 | 0 | 0 | 109.7 | K45 | P43-K45 VanDerWaalsContact C-N 3.26Å; P43-K45 PolarHBondContact O-N 3Å |
| 44 | R | 38.3 | Very low | 35.6 | Very low | 244 Ų | 244 | 147.8 Ų | 147.8 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | | | trans | -62.8 | 87.3 | 178.2 | -76 | 179.5 | 168.5 | 173.2 | -2.3 | 109.6 | A42 R46 | A42-R44 PolarHBondContact O-N 3.26Å; A42-R44 VanDerWaalsContact O-N 3.13Å; R44-R46 PolarHBondContact O-N 3.21Å |
| 45 | K | 40.8 | Very low | 35.7 | Very low | 196 Ų | 196 | 144.5 Ų | 144.5 | 85% | 0.852 | 78% | 0.778 | S | S | * | * | | | trans | -48.6 | 111.2 | 162.2 | -70.9 | -172.3 | 178.6 | -176.5 | 0 | 106 | P43 K47 | P43-K45 VanDerWaalsContact C-N 3.26Å; P43-K45 PolarHBondContact O-N 3Å; K45-K47 PolarHBondContact O-N 3.03Å |
| 46 | R | 44.6 | Very low | 36.3 | Very low | 250 Ų | 250 | 150.1 Ų | 150.1 | 94% | 0.943 | 78% | 0.78 | S | S | * | * | | | trans | -64.6 | 84 | 172.6 | -82.5 | -178.1 | 169 | -178.4 | -3 | 106.6 | R44 R48 | R44-R46 PolarHBondContact O-N 3.21Å; R46-R48 VanDerWaalsContact C-N 3.35Å; R46-R48 PolarHBondContact O-N 2.81Å |
| 47 | K | 36.1 | Very low | 36.8 | Very low | 188 Ų | 188 | 145.3 Ų | 145.3 | 82% | 0.817 | 77% | 0.767 | S | S | * | * | | | trans | -48.6 | 107.1 | 164.3 | -178.4 | 171.2 | -175.2 | 173.5 | 0 | 104.3 | K45 R49 | K45-K47 PolarHBondContact O-N 3.03Å; K47-R49 VanDerWaalsContact C-N 3.25Å; K47-R49 PolarHBondContact O-N 3.44Å |
| 48 | R | 38.6 | Very low | 37.1 | Very low | 239 Ų | 239 | 150.9 Ų | 150.9 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | | | trans | -54.8 | 104.3 | 175.1 | -166.1 | -179.2 | -163.2 | -135.8 | 6.5 | 103.1 | R46 T50 | R46-R48 VanDerWaalsContact C-N 3.35Å; R46-R48 PolarHBondContact O-N 2.81Å; R48-T50 PolarHBondContact O-N 3.48Å |
| 49 | R | 33.6 | Very low | 38.2 | Very low | 218 Ų | 218 | 149.9 Ų | 149.9 | 82% | 0.823 | 75% | 0.75 | S | S | * | * | | | trans | -57.5 | 124.4 | 175 | -68.3 | -174.7 | 177.8 | -156 | -0.5 | 102 | K47 D51 | K47-R49 VanDerWaalsContact C-N 3.25Å; K47-R49 PolarHBondContact O-N 3.44Å; R49-D51 PolarHBondContact O-N 2.89Å |
| 50 | T | 39.6 | Very low | 39.4 | Very low | 127 Ų | 127 | 154 Ų | 154 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | | | trans | -55.6 | 86.2 | 135.2 | 48.9 | 0 | 0 | 0 | 0 | 102.9 | R48 V52 | R48-T50 PolarHBondContact O-N 3.48Å; T50-V52 PolarHBondContact O-N 3.13Å |
| 51 | D | 27.4 | Very low | 40.3 | Very low | 118 Ų | 118 | 149.5 Ų | 149.5 | 63% | 0.631 | 73% | 0.727 | S | S | * | * | | | trans | -55.5 | 103.3 | 152.7 | -163.6 | 0.5 | 0 | 0 | 0 | 100.6 | R49 V53 | R49-D51 PolarHBondContact O-N 2.89Å; D51-V53 HydrophobicContact CB-CG2 3.72Å; D51-V53 PolarHBondContact O-N 2.73Å; D51-V53 PolarHBondContact OD1-N 3.07Å |
| 52 | V | 35.3 | Very low | 41.4 | Very low | 114 Ų | 114 | 157.1 Ų | 157.1 | 69% | 0.691 | 74% | 0.735 | S | S | * | * | | | trans | -66.2 | 77.1 | 151.6 | -173.4 | 0 | 0 | 0 | 0 | 101.6 | T50 V54 | T50-V52 PolarHBondContact O-N 3.13Å; V52-V54 HydrophobicContact CG1-CG2 3.91Å; V52-V54 PolarHBondContact O-N 3.42Å |
| 53 | V | 32.4 | Very low | 42.9 | Very low | 87 Ų | 87 | 155.4 Ų | 155.4 | 53% | 0.527 | 72% | 0.718 | S | S | . | * | | | trans | -58.6 | 85.6 | 148.1 | -151.1 | 0 | 0 | 0 | 0 | 100.7 | D51 V55 | D51-V53 HydrophobicContact CB-CG2 3.72Å; D51-V53 PolarHBondContact O-N 2.73Å; D51-V53 PolarHBondContact OD1-N 3.07Å; V53-V55 HydrophobicContact CB-CG2 3.77Å; V53-V55 HydrophobicContact CG1-CB 4.29Å; V53-V55 HydrophobicContact CG1-CG2 3.45Å; V53-V55 VanDerWaalsContact CG1-CG2 3.45Å; V53-V55 PolarHBondContact O-N 2.88Å |
| 54 | V | 38.3 | Very low | 44.6 | Very low | 111 Ų | 111 | 153.2 Ų | 153.2 | 67% | 0.673 | 71% | 0.71 | S | S | * | * | | | trans | -49.3 | 81.4 | 130.1 | -173.8 | 0 | 0 | 0 | 0 | 102.8 | V52 R56 | V52-V54 HydrophobicContact CG1-CG2 3.91Å; V52-V54 PolarHBondContact O-N 3.42Å; V54-R56 HydrophobicContact CG1-CB 4.38Å; V54-R56 PolarHBondContact O-N 2.79Å |
| 55 | V | 34.5 | Very low | 46.5 | Very low | 110 Ų | 110 | 142.2 Ų | 142.2 | 67% | 0.667 | 67% | 0.67 | S | S | * | * | | | trans | -62.7 | 81.1 | 158.4 | 178.4 | 0 | 0 | 0 | 0 | 100.2 | V53 G57 | V53-V55 HydrophobicContact CB-CG2 3.77Å; V53-V55 HydrophobicContact CG1-CB 4.29Å; V53-V55 HydrophobicContact CG1-CG2 3.45Å; V53-V55 VanDerWaalsContact CG1-CG2 3.45Å; V53-V55 PolarHBondContact O-N 2.88Å; V55-G57 VanDerWaalsContact C-N 3.32Å; V55-G57 WeakPolarHBondContact O-CA 3.34Å; V55-G57 PolarHBondContact O-N 3.1Å |
| 56 | R | 42.6 | Very low | 48.6 | Very low | 209 Ų | 209 | 132.9 Ų | 132.9 | 79% | 0.789 | 63% | 0.629 | S | S | * | * | | | trans | -51.1 | 107.2 | -172 | 168.4 | -171.1 | 172.8 | 114.1 | -0.6 | 102.9 | V54 R58 | V54-R56 HydrophobicContact CG1-CB 4.38Å; V54-R56 PolarHBondContact O-N 2.79Å; R56-R58 PolarHBondContact O-N 2.91Å |
| 57 | G | 46.4 | Very low | 50.6 | Low | 52 Ų | 52 | 126.6 Ų | 126.6 | 54% | 0.536 | 61% | 0.609 | S | S | . | * | | | trans | -63 | 87.1 | -155.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | V55 L59 | V55-G57 VanDerWaalsContact C-N 3.32Å; V55-G57 WeakPolarHBondContact O-CA 3.34Å; V55-G57 PolarHBondContact O-N 3.1Å; G57-L59 PolarHBondContact O-N 3.45Å |
| 58 | R | 46.2 | Very low | 53.1 | Low | 229 Ų | 229 | 122.9 Ų | 122.9 | 86% | 0.864 | 59% | 0.593 | S | S | * | * | | | trans | -73.1 | 58.4 | 160.8 | -79.1 | -172.2 | 166.9 | -177.2 | -2.8 | 105.9 | R56 R60 | R56-R58 PolarHBondContact O-N 2.91Å; R58-R60 VanDerWaalsContact C-N 3.3Å; R58-R60 PolarHBondContact O-N 3.36Å |
| 59 | L | 52.4 | Low | 55.6 | Low | 57 Ų | 57 | 112.2 Ų | 112.2 | 30% | 0.298 | 55% | 0.554 | S | S | . | * | | | trans | -46.9 | 114 | 139.9 | -88.9 | 77.8 | 0 | 0 | 0 | 103.7 | G57 L61 L152 | G57-L59 PolarHBondContact O-N 3.45Å; L59-L61 HydrophobicContact CB-CD2 4.07Å; L59-L61 HydrophobicContact CB-CG 4.13Å; L59-L61 HydrophobicContact CD2-CD2 4.13Å; L59-L61 PolarHBondContact O-N 2.86Å; L59-L152 HydrophobicContact CD2-CD2 3.83Å |
| 60 | R | 57.1 | Low | 58.3 | Low | 214 Ų | 214 | 108 Ų | 108 | 81% | 0.808 | 54% | 0.542 | S | S | * | . | | | trans | -67.6 | 85.9 | 162.6 | -74.8 | 176.9 | 160 | -174.8 | -7.4 | 104.7 | R58 Y62 S63 | R58-R60 VanDerWaalsContact C-N 3.3Å; R58-R60 PolarHBondContact O-N 3.36Å; R60-Y62 PolarHBondContact O-N 3.05Å; R60-S63 VanDerWaalsContact O-CB 3.3Å; R60-S63 WeakPolarHBondContact O-CB 3.5Å; R60-S63 PolarHBondContact O-N 3.4Å |
| 61 | L | 51.4 | Low | 60.7 | Low | 99 Ų | 99 | 104.8 Ų | 104.8 | 52% | 0.518 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -13.7 | 177.2 | -68.3 | 167.3 | 0 | 0 | 0 | 111.6 | L59 G66 F67 | L59-L61 HydrophobicContact CB-CD2 4.07Å; L59-L61 HydrophobicContact CB-CG 4.13Å; L59-L61 HydrophobicContact CD2-CD2 4.13Å; L59-L61 PolarHBondContact O-N 2.86Å; L61-G66 CarbonylContact O-C 3.19Å; L61-F67 PolarHBondContact O-N 3.2Å |
| 62 | Y | 56.8 | Low | 63.9 | Low | 233 Ų | 233 | 99.2 Ų | 99.2 | 91% | 0.914 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | 10.7 | 169.7 | -59.6 | -76.4 | 0 | 0 | 0 | 114.7 | R60 | R60-Y62 PolarHBondContact O-N 3.05Š|
| 63 | S | 69.4 | Low | 66.6 | Low | 51 Ų | 51 | 98.4 Ų | 98.4 | 36% | 0.357 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -75.6 | 153.5 | 161.2 | -171 | 0 | 0 | 0 | 0 | 109.4 | R60 S65 G66 F67 | R60-S63 VanDerWaalsContact O-CB 3.3Å; R60-S63 WeakPolarHBondContact O-CB 3.5Å; R60-S63 PolarHBondContact O-N 3.4Å; S63-S65 VanDerWaalsContact C-N 3.28Å; S63-S65 PolarHBondContact O-N 3.03Å; S63-S65 VanDerWaalsContact O-N 3.17Å; S63-G66 WeakPolarHBondContact O-CA 3.4Å; S63-G66 PolarHBondContact O-N 3.01Å; S63-F67 PolarHBondContact O-N 3.3Å |
| 64 | A | 75.8 | Confident | 69.5 | Low | 72 Ų | 72 | 98 Ų | 98 | 60% | 0.595 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -53.1 | -41.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | F67 F68 | A64-F67 PolarHBondContact O-N 2.88Å; A64-F68 WeakPolarHBondContact O-CD2 3.48Å; A64-F68 PolarHBondContact O-N 3.46Å |
| 65 | S | 78.2 | Confident | 72.1 | Confident | 12 Ų | 12 | 94.9 Ų | 94.9 | 8% | 0.084 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -70.7 | -31.4 | 175.2 | 50 | 0 | 0 | 0 | 0 | 114 | S63 F67 F68 L69 | S63-S65 VanDerWaalsContact C-N 3.28Å; S63-S65 PolarHBondContact O-N 3.03Å; S63-S65 VanDerWaalsContact O-N 3.17Å; S65-F67 VanDerWaalsContact C-N 3.34Å; S65-F68 PolarHBondContact O-N 3.44Å; S65-L69 PolarHBondContact O-N 3.5Å |
| 66 | G | 84.6 | Confident | 75 | Confident | 0 Ų | 0 | 91.3 Ų | 91.3 | 0% | 0 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -67.3 | -34 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L61 S63 L69 F70 | L61-G66 CarbonylContact O-C 3.19Å; S63-G66 WeakPolarHBondContact O-CA 3.4Å; S63-G66 PolarHBondContact O-N 3.01Å; G66-L69 PolarHBondContact O-N 3.42Å; G66-F70 PolarHBondContact O-N 2.82Å |
| 67 | F | 86.6 | Confident | 77.3 | Confident | 118 Ų | 118 | 84.1 Ų | 84.1 | 52% | 0.518 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 173.5 | 179.1 | -97.9 | 0 | 0 | 0 | 111.9 | L61 S63 A64 S65 L69 F70 L71 | L61-F67 PolarHBondContact O-N 3.2Å; S63-F67 PolarHBondContact O-N 3.3Å; A64-F67 PolarHBondContact O-N 2.88Å; S65-F67 VanDerWaalsContact C-N 3.34Å; F67-L69 PolarHBondContact O-N 3.38Å; F67-F70 PolarHBondContact O-N 2.89Å; F67-L71 HydrophobicContact CE1-CD2 4.4Å; F67-L71 WeakPolarHBondContact O-CB 3.43Å; F67-L71 PolarHBondContact O-N 2.7Å |
| 68 | F | 88.8 | Confident | 79.4 | Confident | 110 Ų | 110 | 84.7 Ų | 84.7 | 48% | 0.482 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65 | -35.9 | 176.6 | -69.6 | -67.6 | 0 | 0 | 0 | 113.1 | A64 S65 L71 G72 A148 | A64-F68 WeakPolarHBondContact O-CD2 3.48Å; A64-F68 PolarHBondContact O-N 3.46Å; S65-F68 PolarHBondContact O-N 3.44Å; F68-L71 PolarHBondContact O-N 2.86Å; F68-G72 PolarHBondContact O-N 2.76Å; F68-A148 HydrophobicContact CB-CB 3.67Å |
| 69 | L | 89.9 | Confident | 81.5 | Confident | 16 Ų | 16 | 73.8 Ų | 73.8 | 8% | 0.084 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 170.8 | -82.9 | 175.6 | 0 | 0 | 0 | 112 | S65 G66 F67 G72 L73 F145 A148 N149 L152 | S65-L69 PolarHBondContact O-N 3.5Å; G66-L69 PolarHBondContact O-N 3.42Å; F67-L69 PolarHBondContact O-N 3.38Å; L69-G72 PolarHBondContact O-N 2.66Å; L69-L73 WeakPolarHBondContact O-CB 3.24Å; L69-L73 PolarHBondContact O-N 3.46Å; L69-F145 HydrophobicContact CD2-CD2 3.72Å; L69-F145 HydrophobicContact CD2-CE2 3.76Å; L69-F145 HydrophobicContact CD2-CG 4.43Å; L69-F145 HydrophobicContact CD2-CZ 4.49Å; L69-F145 WeakPolarHBondContact CD2-O 3.36Å; L69-A148 HydrophobicContact CB-CB 4.48Å; L69-A148 HydrophobicContact CD2-CB 3.91Å; L69-A148 HydrophobicContact CG-CB 3.85Å; L69-N149 HydrophobicContact CD2-CB 3.82Å; L69-L152 HydrophobicContact CD1-CB 3.97Å; L69-L152 HydrophobicContact CD1-CD1 3.88Å; L69-L152 HydrophobicContact CD1-CD2 3.9Å; L69-L152 HydrophobicContact CD1-CG 4.11Å |
| 70 | F | 90.1 | Very high | 83.3 | Confident | 128 Ų | 128 | 74.9 Ų | 74.9 | 56% | 0.561 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -64.3 | -40.3 | 178.5 | -176.5 | -113.4 | 0 | 0 | 0 | 111.8 | G66 F67 L73 I74 | G66-F70 PolarHBondContact O-N 2.82Å; F67-F70 PolarHBondContact O-N 2.89Å; F70-L73 PolarHBondContact O-N 3.27Å; F70-I74 HydrophobicContact CD1-CD1 3.83Å; F70-I74 HydrophobicContact CE1-CD1 3.43Å; F70-I74 VanDerWaalsContact CE1-CD1 3.43Å; F70-I74 HydrophobicContact CE1-CG1 4.42Å; F70-I74 HydrophobicContact CE2-CD1 4.42Å; F70-I74 HydrophobicContact CG-CD1 4.49Å; F70-I74 HydrophobicContact CZ-CD1 3.77Å; F70-I74 HydrophobicContact CZ-CG1 4.4Å; F70-I74 WeakPolarHBondContact O-CG1 3.35Å; F70-I74 PolarHBondContact O-N 3.38Å |
| 71 | L | 90.6 | Very high | 84.7 | Confident | 61 Ų | 61 | 65.9 Ų | 65.9 | 32% | 0.319 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.3 | -45.7 | 175 | -176.8 | 62.4 | 0 | 0 | 0 | 111.9 | F67 F68 L73 I74 I75 | F67-L71 HydrophobicContact CE1-CD2 4.4Å; F67-L71 WeakPolarHBondContact O-CB 3.43Å; F67-L71 PolarHBondContact O-N 2.7Å; F68-L71 PolarHBondContact O-N 2.86Å; L71-L73 VanDerWaalsContact C-N 3.3Å; L71-L73 PolarHBondContact O-N 2.84Å; L71-I74 PolarHBondContact O-N 2.85Å; L71-I75 HydrophobicContact CD1-CD1 4.22Å; L71-I75 HydrophobicContact CG-CD1 4.01Å; L71-I75 WeakPolarHBondContact O-CG1 3.31Å; L71-I75 PolarHBondContact O-N 2.9Å |
| 72 | G | 93.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.6 | -39.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F68 L69 I75 L76 | F68-G72 PolarHBondContact O-N 2.76Å; L69-G72 PolarHBondContact O-N 2.66Å; G72-I75 PolarHBondContact O-N 2.75Å; G72-L76 VanDerWaalsContact O-CB 3.26Å; G72-L76 WeakPolarHBondContact O-CB 3.49Å; G72-L76 PolarHBondContact O-N 3.03Å |
| 73 | L | 92.7 | Very high | 87.7 | Confident | 98 Ų | 98 | 53 Ų | 53 | 51% | 0.513 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.7 | -39.2 | 176.7 | -147.3 | 167.2 | 0 | 0 | 0 | 112 | L69 F70 L71 L76 A77 | L69-L73 WeakPolarHBondContact O-CB 3.24Å; L69-L73 PolarHBondContact O-N 3.46Å; F70-L73 PolarHBondContact O-N 3.27Å; L71-L73 VanDerWaalsContact C-N 3.3Å; L71-L73 PolarHBondContact O-N 2.84Å; L73-L76 PolarHBondContact O-N 2.69Å; L73-A77 WeakPolarHBondContact O-CB 3.1Å; L73-A77 PolarHBondContact O-N 3.39Å |
| 74 | I | 93.9 | Very high | 88.4 | Confident | 78 Ų | 78 | 54.4 Ų | 54.4 | 40% | 0.4 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.4 | -48.7 | 172.1 | -72.6 | 170.6 | 0 | 0 | 0 | 111 | F70 L71 L76 A77 V78 | F70-I74 HydrophobicContact CD1-CD1 3.83Å; F70-I74 HydrophobicContact CE1-CD1 3.43Å; F70-I74 VanDerWaalsContact CE1-CD1 3.43Å; F70-I74 HydrophobicContact CE1-CG1 4.42Å; F70-I74 HydrophobicContact CE2-CD1 4.42Å; F70-I74 HydrophobicContact CG-CD1 4.49Å; F70-I74 HydrophobicContact CZ-CD1 3.77Å; F70-I74 HydrophobicContact CZ-CG1 4.4Å; F70-I74 WeakPolarHBondContact O-CG1 3.35Å; F70-I74 PolarHBondContact O-N 3.38Å; L71-I74 PolarHBondContact O-N 2.85Å; I74-L76 VanDerWaalsContact C-N 3.3Å; I74-L76 PolarHBondContact O-N 3.23Å; I74-A77 PolarHBondContact O-N 2.91Å; I74-V78 WeakPolarHBondContact O-CG2 3.15Å; I74-V78 PolarHBondContact O-N 2.97Å |
| 75 | I | 92.9 | Very high | 88.5 | Confident | 46 Ų | 46 | 56.3 Ų | 56.3 | 24% | 0.236 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.5 | -40.4 | -179.8 | -66.6 | 166.5 | 0 | 0 | 0 | 110.4 | L71 G72 V78 G79 I140 I144 | L71-I75 HydrophobicContact CD1-CD1 4.22Å; L71-I75 HydrophobicContact CG-CD1 4.01Å; L71-I75 WeakPolarHBondContact O-CG1 3.31Å; L71-I75 PolarHBondContact O-N 2.9Å; G72-I75 PolarHBondContact O-N 2.75Å; I75-V78 PolarHBondContact O-N 3.2Å; I75-G79 PolarHBondContact O-N 3.33Å; I75-I140 HydrophobicContact CG2-CG2 4.49Å; I75-I144 HydrophobicContact CD1-CD1 3.82Å |
| 76 | L | 94.5 | Very high | 88.5 | Confident | 35 Ų | 35 | 56.5 Ų | 56.5 | 18% | 0.183 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 173.7 | 178.5 | 55.2 | 0 | 0 | 0 | 112.1 | G72 L73 I74 V78 G79 I80 M138 I142 | G72-L76 VanDerWaalsContact O-CB 3.26Å; G72-L76 WeakPolarHBondContact O-CB 3.49Å; G72-L76 PolarHBondContact O-N 3.03Å; L73-L76 PolarHBondContact O-N 2.69Å; I74-L76 VanDerWaalsContact C-N 3.3Å; I74-L76 PolarHBondContact O-N 3.23Å; L76-V78 VanDerWaalsContact C-N 3.34Å; L76-V78 PolarHBondContact O-N 2.9Å; L76-G79 PolarHBondContact O-N 3.35Å; L76-I80 HydrophobicContact CD1-CD1 3.88Å; L76-I80 HydrophobicContact CD1-CG1 4.13Å; L76-I80 HydrophobicContact CG-CD1 3.9Å; L76-I80 VanDerWaalsContact O-CG1 3.27Å; L76-I80 WeakPolarHBondContact O-CG1 3.19Å; L76-I80 PolarHBondContact O-N 2.86Å; L76-M138 HydrophobicContact CD1-CB 4.49Å; L76-M138 HydrophobicContact CD1-CG 3.76Å; L76-I142 HydrophobicContact CD1-CD1 4.31Å; L76-I142 HydrophobicContact CD1-CG1 3.89Å; L76-I142 HydrophobicContact CD2-CG1 4.36Å |
| 77 | A | 91.9 | Very high | 87.9 | Confident | 57 Ų | 57 | 65.9 Ų | 65.9 | 47% | 0.471 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63 | -39.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | L73 I74 G81 | L73-A77 WeakPolarHBondContact O-CB 3.1Å; L73-A77 PolarHBondContact O-N 3.39Å; I74-A77 PolarHBondContact O-N 2.91Å; A77-G81 PolarHBondContact O-N 3.47Å |
| 78 | V | 89.4 | Confident | 87.3 | Confident | 65 Ų | 65 | 68.3 Ų | 68.3 | 39% | 0.394 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.5 | -49.5 | 171.5 | 172.8 | 0 | 0 | 0 | 0 | 110.3 | I74 I75 L76 I80 G81 M82 | I74-V78 WeakPolarHBondContact O-CG2 3.15Å; I74-V78 PolarHBondContact O-N 2.97Å; I75-V78 PolarHBondContact O-N 3.2Å; L76-V78 VanDerWaalsContact C-N 3.34Å; L76-V78 PolarHBondContact O-N 2.9Å; V78-I80 VanDerWaalsContact C-N 3.33Å; V78-I80 PolarHBondContact O-N 2.79Å; V78-G81 CarbonylContact O-C 3.52Å; V78-G81 WeakPolarHBondContact O-CA 3.46Å; V78-G81 PolarHBondContact O-N 3.35Å; V78-M82 HydrophobicContact CG1-CG 4.11Å; V78-M82 VanDerWaalsContact O-CG 3.29Å; V78-M82 WeakPolarHBondContact O-CG 3.45Å; V78-M82 PolarHBondContact O-N 3.02Å |
| 79 | G | 90.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.5 | -38.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | I75 L76 M82 A83 T137 | I75-G79 PolarHBondContact O-N 3.33Å; L76-G79 PolarHBondContact O-N 3.35Å; G79-M82 PolarHBondContact O-N 3.47Å; G79-A83 VanDerWaalsContact O-CB 3.31Å; G79-A83 WeakPolarHBondContact O-CB 3.41Å; G79-A83 PolarHBondContact O-N 3.38Å; G79-T137 VanDerWaalsContact CA-OG1 3.32Å; G79-T137 WeakPolarHBondContact CA-OG1 3.31Å |
| 80 | I | 89.7 | Confident | 84.2 | Confident | 80 Ų | 80 | 74.1 Ų | 74.1 | 41% | 0.41 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.6 | -41.8 | 171.9 | -66.5 | 163.1 | 0 | 0 | 0 | 110.9 | L76 V78 A83 T84 | L76-I80 HydrophobicContact CD1-CD1 3.88Å; L76-I80 HydrophobicContact CD1-CG1 4.13Å; L76-I80 HydrophobicContact CG-CD1 3.9Å; L76-I80 VanDerWaalsContact O-CG1 3.27Å; L76-I80 WeakPolarHBondContact O-CG1 3.19Å; L76-I80 PolarHBondContact O-N 2.86Å; V78-I80 VanDerWaalsContact C-N 3.33Å; V78-I80 PolarHBondContact O-N 2.79Å; I80-A83 PolarHBondContact O-N 3.43Å; I80-T84 HydrophobicContact CG2-CG2 4.4Å; I80-T84 WeakPolarHBondContact O-CB 3.35Å; I80-T84 WeakPolarHBondContact O-CG2 3.42Å; I80-T84 PolarHBondContact O-N 2.85Å; I80-T84 PolarHBondContact O-OG1 2.88Å |
| 81 | G | 87.5 | Confident | 82.1 | Confident | 24 Ų | 24 | 74.3 Ų | 74.3 | 25% | 0.247 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A77 V78 T84 L85 | A77-G81 PolarHBondContact O-N 3.47Å; V78-G81 CarbonylContact O-C 3.52Å; V78-G81 WeakPolarHBondContact O-CA 3.46Å; V78-G81 PolarHBondContact O-N 3.35Å; G81-T84 WeakPolarHBondContact CA-OG1 3.29Å; G81-T84 PolarHBondContact O-N 3.08Å; G81-T84 PolarHBondContact O-OG1 3.11Å; G81-T84 VanDerWaalsContact O-OG1 3.1Å; G81-L85 VanDerWaalsContact O-CB 3.31Å; G81-L85 WeakPolarHBondContact O-CB 3.39Å; G81-L85 VanDerWaalsContact O-CG 3.24Å; G81-L85 WeakPolarHBondContact O-CG 3.45Å; G81-L85 PolarHBondContact O-N 2.89Å |
| 82 | M | 83.9 | Confident | 80.1 | Confident | 28 Ų | 28 | 80.8 Ų | 80.8 | 14% | 0.138 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -67.9 | -39.3 | 177.8 | -59.2 | -37 | -60.4 | 0 | 0 | 112.2 | V78 G79 G86 L125 | V78-M82 HydrophobicContact CG1-CG 4.11Å; V78-M82 VanDerWaalsContact O-CG 3.29Å; V78-M82 WeakPolarHBondContact O-CG 3.45Å; V78-M82 PolarHBondContact O-N 3.02Å; G79-M82 PolarHBondContact O-N 3.47Å; M82-G86 PolarHBondContact O-N 2.86Å; M82-L125 HydrophobicContact CE-CD1 3.35Å; M82-L125 HydrophobicContact CE-CD2 3.5Å; M82-L125 HydrophobicContact CE-CG 4.09Å |
| 83 | A | 85.9 | Confident | 77.8 | Confident | 33 Ų | 33 | 85.3 Ų | 85.3 | 27% | 0.273 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66.2 | -43 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G79 I80 Y87 | G79-A83 VanDerWaalsContact O-CB 3.31Å; G79-A83 WeakPolarHBondContact O-CB 3.41Å; G79-A83 PolarHBondContact O-N 3.38Å; I80-A83 PolarHBondContact O-N 3.43Å; A83-Y87 WeakPolarHBondContact O-CB 3.32Å; A83-Y87 PolarHBondContact O-N 3.2Å |
| 84 | T | 84 | Confident | 75.5 | Confident | 81 Ų | 81 | 86.6 Ų | 86.6 | 50% | 0.497 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -71.2 | -39.6 | 179.1 | 50.3 | 0 | 0 | 0 | 0 | 112.4 | I80 G81 Y87 W88 | I80-T84 HydrophobicContact CG2-CG2 4.4Å; I80-T84 WeakPolarHBondContact O-CB 3.35Å; I80-T84 WeakPolarHBondContact O-CG2 3.42Å; I80-T84 PolarHBondContact O-N 2.85Å; I80-T84 PolarHBondContact O-OG1 2.88Å; G81-T84 WeakPolarHBondContact CA-OG1 3.29Å; G81-T84 PolarHBondContact O-N 3.08Å; G81-T84 PolarHBondContact O-OG1 3.11Å; G81-T84 VanDerWaalsContact O-OG1 3.1Å; T84-Y87 CarbonylContact O-C 3.56Å; T84-Y87 PolarHBondContact O-N 2.69Å; T84-W88 WeakPolarHBondContact O-CA 3.3Å; T84-W88 WeakPolarHBondContact O-CB 3.38Å; T84-W88 PolarHBondContact O-N 2.98Å |
| 85 | L | 79.3 | Confident | 73.8 | Confident | 113 Ų | 113 | 88.4 Ų | 88.4 | 59% | 0.592 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68.6 | -40.6 | 173.4 | -69.7 | 168.4 | 0 | 0 | 0 | 112.4 | G81 Y87 W88 | G81-L85 VanDerWaalsContact O-CB 3.31Å; G81-L85 WeakPolarHBondContact O-CB 3.39Å; G81-L85 VanDerWaalsContact O-CG 3.24Å; G81-L85 WeakPolarHBondContact O-CG 3.45Å; G81-L85 PolarHBondContact O-N 2.89Å; L85-Y87 VanDerWaalsContact C-N 3.25Å; L85-Y87 PolarHBondContact O-N 2.81Å; L85-W88 WeakPolarHBondContact O-CB 3.01Å; L85-W88 PolarHBondContact O-N 2.92Å |
| 86 | G | 77.6 | Confident | 71.1 | Confident | 16 Ų | 16 | 92.9 Ų | 92.9 | 17% | 0.165 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -69.3 | -19.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | M82 K131 | M82-G86 PolarHBondContact O-N 2.86Å; G86-K131 WeakPolarHBondContact O-CE 3.21Å; G86-K131 WeakPolarHBondContact O-CG 3.4Å |
| 87 | Y | 71.1 | Confident | 68.4 | Low | 196 Ų | 196 | 95 Ų | 95 | 77% | 0.769 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | -0.9 | 172.5 | -144.9 | -93.2 | 0 | 0 | 0 | 113.1 | A83 T84 L85 P89 | A83-Y87 WeakPolarHBondContact O-CB 3.32Å; A83-Y87 PolarHBondContact O-N 3.2Å; T84-Y87 CarbonylContact O-C 3.56Å; T84-Y87 PolarHBondContact O-N 2.69Å; L85-Y87 VanDerWaalsContact C-N 3.25Å; L85-Y87 PolarHBondContact O-N 2.81Å; Y87-P89 WeakPolarHBondContact O-CD 3.25Å |
| 88 | W | 75.6 | Confident | 65.7 | Low | 169 Ų | 169 | 96.1 Ų | 96.1 | 64% | 0.64 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -66.4 | 117.5 | 178.9 | -168.2 | -93.3 | 0 | 0 | 0 | 108.8 | T84 L85 H90 | T84-W88 WeakPolarHBondContact O-CA 3.3Å; T84-W88 WeakPolarHBondContact O-CB 3.38Å; T84-W88 PolarHBondContact O-N 2.98Å; L85-W88 WeakPolarHBondContact O-CB 3.01Å; L85-W88 PolarHBondContact O-N 2.92Å; W88-H90 PolarHBondContact O-N 2.72Å; W88-H90 PolarHBondContact O-ND1 2.77Å; W88-H90 VanDerWaalsContact O-ND1 3.07Å |
| 89 | P | 58.5 | Low | 63.4 | Low | 86 Ų | 86 | 96.2 Ų | 96.2 | 56% | 0.558 | 58% | 0.576 | S | S | * | * | | | trans | -61.8 | 117.9 | 179.2 | 25.7 | -32.3 | 0 | 0 | 0 | 107.7 | Y87 N91 | Y87-P89 WeakPolarHBondContact O-CD 3.25Å; P89-N91 PolarHBondContact O-N 2.61Å |
| 90 | H | 54.4 | Low | 60.9 | Low | 163 Ų | 163 | 103.9 Ų | 103.9 | 76% | 0.755 | 62% | 0.617 | S | S | * | * | | | trans | -69.6 | 89.8 | 172.3 | -74.5 | 48.9 | 0 | 0 | 0 | 107 | W88 K92 | W88-H90 PolarHBondContact O-N 2.72Å; W88-H90 PolarHBondContact O-ND1 2.77Å; W88-H90 VanDerWaalsContact O-ND1 3.07Å; H90-K92 PolarHBondContact O-N 2.81Å |
| 91 | N | 46.2 | Very low | 58.6 | Low | 132 Ų | 132 | 108.7 Ų | 108.7 | 71% | 0.706 | 64% | 0.638 | S | S | * | * | | | trans | -51.9 | 112.9 | 173.2 | -69.3 | -26.6 | 0 | 0 | 0 | 107.2 | P89 A93 | P89-N91 PolarHBondContact O-N 2.61Å; N91-A93 PolarHBondContact O-N 2.94Å |
| 92 | K | 48.1 | Very low | 56.2 | Low | 196 Ų | 196 | 113.7 Ų | 113.7 | 85% | 0.852 | 66% | 0.663 | S | S | * | * | | | trans | -63.7 | 100.4 | -170.1 | -65.6 | -177.6 | -180 | -178.9 | 0 | 109.8 | H90 V94 | H90-K92 PolarHBondContact O-N 2.81Å; K92-V94 PolarHBondContact O-N 3.32Å; K92-V94 VanDerWaalsContact O-N 3.16Å |
| 93 | A | 46.7 | Very low | 53.7 | Low | 95 Ų | 95 | 121.2 Ų | 121.2 | 79% | 0.785 | 70% | 0.695 | S | S | * | * | | | trans | -61.6 | 111.9 | 151.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | N91 | N91-A93 PolarHBondContact O-N 2.94Š|
| 94 | V | 43.9 | Very low | 51.6 | Low | 125 Ų | 125 | 128.1 Ų | 128.1 | 76% | 0.758 | 72% | 0.724 | S | S | * | * | | | trans | -65.3 | 133.6 | 174.4 | 174.4 | 0 | 0 | 0 | 0 | 107.6 | K92 | K92-V94 PolarHBondContact O-N 3.32Å; K92-V94 VanDerWaalsContact O-N 3.16Å |
| 95 | P | 56.8 | Low | 49 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | | | trans | -74.4 | 143.7 | -173.4 | 30.6 | -35.8 | 0 | 0 | 0 | 111.3 | | |
| 96 | T | 36.5 | Very low | 47.1 | Very low | 140 Ų | 140 | 130.5 Ų | 130.5 | 86% | 0.859 | 74% | 0.744 | S | S | * | * | | | trans | -134.5 | 120.6 | 158.5 | -63.5 | 0 | 0 | 0 | 0 | 106.3 | | |
| 97 | G | 38 | Very low | 44.9 | Very low | 79 Ų | 79 | 137.9 Ų | 137.9 | 81% | 0.814 | 78% | 0.78 | S | S | * | * | | | trans | -79.7 | 166 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 98 | G | 36.1 | Very low | 43.3 | Very low | 82 Ų | 82 | 133 Ų | 133 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | | | trans | 125.6 | 100.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 99 | G | 41.1 | Very low | 41.3 | Very low | 66 Ų | 66 | 130.5 Ų | 130.5 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | | | trans | 83.9 | 124.1 | 141.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 100 | N | 37.6 | Very low | 40.2 | Very low | 161 Ų | 161 | 131.7 Ų | 131.7 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | | | trans | 79.2 | 99.7 | 139.1 | -51.2 | -6.3 | 0 | 0 | 0 | 118.3 | | |
| 101 | E | 42.6 | Very low | 39.6 | Very low | 182 Ų | 182 | 132 Ų | 132 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | | | | 4 | 127.4 | 125.1 | -174.1 | -177.4 | 175 | 0 | 0 | 117.2 | | |
| 102 | V | 35.3 | Very low | 39.5 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | | | trans | -165.7 | 126.6 | 131.9 | 137.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 103 | K | 32 | Very low | 39.5 | Very low | 187 Ų | 187 | 133.8 Ų | 133.8 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | | | trans | 50.9 | 104.8 | 155 | -66.3 | 178.1 | 177.7 | 174.8 | 0 | 121.1 | G105 | K103-G105 PolarHBondContact O-N 2.86Š|
| 104 | M | 41.5 | Very low | 39.6 | Very low | 177 Ų | 177 | 130.8 Ų | 130.8 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | | | trans | -34.9 | 115.8 | 133.1 | 174.9 | 77.6 | 74.7 | 0 | 0 | 112.4 | | |
| 105 | G | 30.6 | Very low | 40.4 | Very low | 77 Ų | 77 | 126.3 Ų | 126.3 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | | | trans | -117.9 | 101.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | K103 | K103-G105 PolarHBondContact O-N 2.86Š|
| 106 | K | 38.8 | Very low | 40.8 | Very low | 167 Ų | 167 | 124 Ų | 124 | 73% | 0.726 | 75% | 0.746 | S | S | * | * | | | trans | -97.9 | 125.1 | -178.8 | 165.7 | -167.3 | 172.1 | -170.4 | 0 | 108.9 | | |
| 107 | D | 32.3 | Very low | 41.9 | Very low | 171 Ų | 171 | 123.1 Ų | 123.1 | 91% | 0.914 | 74% | 0.735 | S | S | * | * | | | trans | -135.7 | 141.7 | 153.4 | -91.4 | -46.1 | 0 | 0 | 0 | 112.1 | | |
| 108 | S | 36.9 | Very low | 42.9 | Very low | 95 Ų | 95 | 125.1 Ų | 125.1 | 66% | 0.664 | 73% | 0.725 | S | S | * | * | | | trans | -120.6 | 146.8 | -161.6 | 56.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 109 | S | 34.3 | Very low | 44.2 | Very low | 115 Ų | 115 | 129.9 Ų | 129.9 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | | | | -177.8 | 113.6 | 117.3 | -172 | 0 | 0 | 0 | 0 | 111.9 | | |
| 110 | S | 34.5 | Very low | 45.2 | Very low | 112 Ų | 112 | 133.3 Ų | 133.3 | 78% | 0.783 | 71% | 0.714 | S | S | * | * | S | Bend | trans | 161 | -27.3 | 153.4 | 47.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 111 | K | 41.2 | Very low | 46.3 | Very low | 168 Ų | 168 | 128.7 Ų | 128.7 | 73% | 0.73 | 69% | 0.689 | S | S | * | * | | | trans | -108.7 | 45.7 | -165.2 | -66.2 | -177.1 | 178.6 | 177.3 | 0 | 116.4 | G114 G115 | K111-G114 PolarHBondContact O-N 3.03Å; K111-G115 PolarHBondContact O-N 3.32Å |
| 112 | R | 44.3 | Very low | 47.3 | Very low | 244 Ų | 244 | 125 Ų | 125 | 92% | 0.921 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -61.4 | -43.7 | 173.6 | -82 | -169.8 | 179.5 | -176.3 | 1.6 | 112.4 | | |
| 113 | T | 48 | Very low | 48.6 | Very low | 123 Ų | 123 | 126 Ų | 126 | 76% | 0.755 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -71.4 | -37.1 | 175.9 | -37.6 | 0 | 0 | 0 | 0 | 112.4 | G115 A116 | T113-G115 VanDerWaalsContact C-N 3.32Å; T113-G115 PolarHBondContact O-N 2.75Å; T113-A116 PolarHBondContact O-N 3.4Å |
| 114 | G | 50 | Low | 49.8 | Very low | 32 Ų | 32 | 122.6 Ų | 122.6 | 33% | 0.33 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -65.7 | -31.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | K111 A116 M118 | K111-G114 PolarHBondContact O-N 3.03Å; G114-A116 PolarHBondContact O-N 3.01Å; G114-M118 WeakPolarHBondContact O-CB 3.32Å; G114-M118 PolarHBondContact O-N 3.41Å |
| 115 | G | 60 | Low | 50.6 | Low | 30 Ų | 30 | 115 Ų | 115 | 31% | 0.309 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.9 | -31.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | K111 T113 R119 | K111-G115 PolarHBondContact O-N 3.32Å; T113-G115 VanDerWaalsContact C-N 3.32Å; T113-G115 PolarHBondContact O-N 2.75Å; G115-R119 WeakPolarHBondContact O-CB 3.33Å; G115-R119 VanDerWaalsContact O-CG 3.31Å; G115-R119 WeakPolarHBondContact O-CG 3.27Å; G115-R119 PolarHBondContact O-N 3.42Å |
| 116 | A | 64.6 | Low | 51.7 | Low | 68 Ų | 68 | 119.2 Ų | 119.2 | 56% | 0.562 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -72.2 | -48.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | T113 G114 M118 R119 F120 | T113-A116 PolarHBondContact O-N 3.4Å; G114-A116 PolarHBondContact O-N 3.01Å; A116-M118 VanDerWaalsContact C-N 3.33Å; A116-M118 PolarHBondContact O-N 2.88Å; A116-R119 PolarHBondContact O-N 3.26Å; A116-F120 WeakPolarHBondContact O-CB 3.31Å; A116-F120 PolarHBondContact O-N 3.25Å |
| 117 | L | 59.7 | Low | 52.7 | Low | 121 Ų | 121 | 115.7 Ų | 115.7 | 63% | 0.634 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -61.6 | -40.7 | 174.2 | -78.3 | 169.9 | 0 | 0 | 0 | 111.9 | F120 L121 | L117-F120 PolarHBondContact O-N 3.49Å; L117-L121 WeakPolarHBondContact O-CB 3.44Å; L117-L121 VanDerWaalsContact O-CG 3.28Å; L117-L121 WeakPolarHBondContact O-CG 3.35Å; L117-L121 PolarHBondContact O-N 2.87Å |
| 118 | M | 58.7 | Low | 54 | Low | 121 Ų | 121 | 116.1 Ų | 116.1 | 60% | 0.596 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -62.6 | -43.8 | 176.4 | -175.9 | 170.4 | 168.9 | 0 | 0 | 111.4 | G114 A116 L121 E122 | G114-M118 WeakPolarHBondContact O-CB 3.32Å; G114-M118 PolarHBondContact O-N 3.41Å; A116-M118 VanDerWaalsContact C-N 3.33Å; A116-M118 PolarHBondContact O-N 2.88Å; M118-L121 PolarHBondContact O-N 3.41Å; M118-E122 WeakPolarHBondContact O-CB 3.24Å; M118-E122 PolarHBondContact O-N 2.94Å |
| 119 | R | 64.3 | Low | 55.1 | Low | 182 Ų | 182 | 120.9 Ų | 120.9 | 69% | 0.687 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66 | -36.8 | 174.4 | -77.1 | 177.9 | 176.4 | -168.5 | -2.7 | 113.5 | G115 A116 E122 Q123 | G115-R119 WeakPolarHBondContact O-CB 3.33Å; G115-R119 VanDerWaalsContact O-CG 3.31Å; G115-R119 WeakPolarHBondContact O-CG 3.27Å; G115-R119 PolarHBondContact O-N 3.42Å; A116-R119 PolarHBondContact O-N 3.26Å; R119-E122 PolarHBondContact O-N 3.5Å; R119-Q123 WeakPolarHBondContact O-CB 3.1Å; R119-Q123 VanDerWaalsContact O-CG 3.3Å; R119-Q123 WeakPolarHBondContact O-CG 3.49Å; R119-Q123 PolarHBondContact O-N 3.14Å |
| 120 | F | 61.9 | Low | 56.4 | Low | 139 Ų | 139 | 119 Ų | 119 | 61% | 0.61 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -70 | -40.2 | 177.8 | -151.4 | -85.3 | 0 | 0 | 0 | 111.4 | A116 L117 H124 | A116-F120 WeakPolarHBondContact O-CB 3.31Å; A116-F120 PolarHBondContact O-N 3.25Å; L117-F120 PolarHBondContact O-N 3.49Å; F120-H124 WeakPolarHBondContact O-CB 3.21Å; F120-H124 PolarHBondContact O-N 2.89Å |
| 121 | L | 61.7 | Low | 58.2 | Low | 64 Ų | 64 | 120.1 Ų | 120.1 | 34% | 0.335 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -59.4 | -52.2 | 168.2 | -74.2 | 164.6 | 0 | 0 | 0 | 109.8 | L117 M118 Q123 H124 L125 | L117-L121 WeakPolarHBondContact O-CB 3.44Å; L117-L121 VanDerWaalsContact O-CG 3.28Å; L117-L121 WeakPolarHBondContact O-CG 3.35Å; L117-L121 PolarHBondContact O-N 2.87Å; M118-L121 PolarHBondContact O-N 3.41Å; L121-Q123 VanDerWaalsContact C-N 3.3Å; L121-Q123 PolarHBondContact O-N 2.71Å; L121-H124 CarbonylContact O-C 3.34Å; L121-H124 WeakPolarHBondContact O-CA 3.28Å; L121-H124 PolarHBondContact O-N 2.91Å; L121-L125 HydrophobicContact CB-CD1 4.01Å; L121-L125 VanDerWaalsContact O-CB 3.25Å; L121-L125 WeakPolarHBondContact O-CB 3.45Å; L121-L125 WeakPolarHBondContact O-CD1 3.33Å; L121-L125 WeakPolarHBondContact O-CG 3.26Å; L121-L125 PolarHBondContact O-N 3.39Å |
| 122 | E | 62.3 | Low | 59.8 | Low | 104 Ų | 104 | 119 Ų | 119 | 49% | 0.486 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -57.1 | -39.3 | -178.9 | -165.7 | 154.3 | -146.8 | 0 | 0 | 112.8 | M118 R119 L125 H126 | M118-E122 WeakPolarHBondContact O-CB 3.24Å; M118-E122 PolarHBondContact O-N 2.94Å; R119-E122 PolarHBondContact O-N 3.5Å; E122-L125 PolarHBondContact O-N 2.86Å; E122-H126 PolarHBondContact O-N 2.87Å |
| 123 | Q | 64.1 | Low | 61.6 | Low | 148 Ų | 148 | 108.6 Ų | 108.6 | 69% | 0.692 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.5 | -40.1 | 169.2 | -74.7 | 171.8 | -23.2 | 0 | 0 | 112.9 | R119 L121 L125 | R119-Q123 WeakPolarHBondContact O-CB 3.1Å; R119-Q123 VanDerWaalsContact O-CG 3.3Å; R119-Q123 WeakPolarHBondContact O-CG 3.49Å; R119-Q123 PolarHBondContact O-N 3.14Å; L121-Q123 VanDerWaalsContact C-N 3.3Å; L121-Q123 PolarHBondContact O-N 2.71Å; Q123-L125 VanDerWaalsContact C-N 3.27Å; Q123-L125 PolarHBondContact O-N 3.35Å |
| 124 | H | 56.2 | Low | 63.3 | Low | 117 Ų | 117 | 102.8 Ų | 102.8 | 54% | 0.542 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -80.2 | -4.3 | 178.9 | -147.1 | -65 | 0 | 0 | 0 | 114.1 | F120 L121 | F120-H124 WeakPolarHBondContact O-CB 3.21Å; F120-H124 PolarHBondContact O-N 2.89Å; L121-H124 CarbonylContact O-C 3.34Å; L121-H124 WeakPolarHBondContact O-CA 3.28Å; L121-H124 PolarHBondContact O-N 2.91Å |
| 125 | L | 57.7 | Low | 65.2 | Low | 18 Ų | 18 | 105 Ų | 105 | 9% | 0.094 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -108.9 | -16.9 | -175.7 | -73 | 167.9 | 0 | 0 | 0 | 113.6 | M82 L121 E122 Q123 S127 M130 L133 | M82-L125 HydrophobicContact CE-CD1 3.35Å; M82-L125 HydrophobicContact CE-CD2 3.5Å; M82-L125 HydrophobicContact CE-CG 4.09Å; L121-L125 HydrophobicContact CB-CD1 4.01Å; L121-L125 VanDerWaalsContact O-CB 3.25Å; L121-L125 WeakPolarHBondContact O-CB 3.45Å; L121-L125 WeakPolarHBondContact O-CD1 3.33Å; L121-L125 WeakPolarHBondContact O-CG 3.26Å; L121-L125 PolarHBondContact O-N 3.39Å; E122-L125 PolarHBondContact O-N 2.86Å; Q123-L125 VanDerWaalsContact C-N 3.27Å; Q123-L125 PolarHBondContact O-N 3.35Å; L125-S127 VanDerWaalsContact C-N 3.28Å; L125-S127 PolarHBondContact O-N 3.43Å; L125-S127 VanDerWaalsContact O-N 3.08Å; L125-M130 HydrophobicContact CB-CE 3.79Å; L125-M130 HydrophobicContact CB-SD 3.76Å; L125-M130 HydrophobicContact CD2-SD 3.45Å; L125-M130 WeakPolarHBondContact CD2-SD 3.3Å; L125-M130 HydrophobicContact CG-SD 4.08Å; L125-M130 VanDerWaalsContact O-CG 3.24Å; L125-M130 WeakPolarHBondContact O-CG 3.41Å; L125-L133 HydrophobicContact CD2-CD2 3.63Å; L125-L133 HydrophobicContact CG-CD2 4.43Å |
| 126 | H | 55.1 | Low | 66.5 | Low | 164 Ų | 164 | 109.8 Ų | 109.8 | 76% | 0.759 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -75.1 | -2.2 | -160.9 | -143.2 | -35.8 | 0 | 0 | 0 | 116.8 | E122 | E122-H126 PolarHBondContact O-N 2.87Š|
| 127 | S | 58.3 | Low | 67.7 | Low | 93 Ų | 93 | 107.9 Ų | 107.9 | 65% | 0.65 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -145.3 | 103.2 | 179.6 | -172.9 | 0 | 0 | 0 | 0 | 112.5 | L125 R129 | L125-S127 VanDerWaalsContact C-N 3.28Å; L125-S127 PolarHBondContact O-N 3.43Å; L125-S127 VanDerWaalsContact O-N 3.08Å; S127-R129 PolarHBondContact O-N 3.17Å |
| 128 | E | 61.2 | Low | 69.3 | Low | 181 Ų | 181 | 105.8 Ų | 105.8 | 85% | 0.846 | 50% | 0.499 | S | S | * | . | S | Bend | trans | 52.9 | -28 | 169.5 | -59 | -164.8 | 136.8 | 0 | 0 | 119.7 | M130 | E128-M130 PolarHBondContact O-N 2.81Š|
| 129 | R | 59.8 | Low | 70.9 | Confident | 195 Ų | 195 | 101.8 Ų | 101.8 | 74% | 0.736 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -6.8 | -177.3 | -61.1 | -168.6 | 178.1 | -165.5 | -0.2 | 113.9 | S127 K131 M132 L133 | S127-R129 PolarHBondContact O-N 3.17Å; R129-K131 PolarHBondContact O-N 3.05Å; R129-K131 VanDerWaalsContact O-N 3.11Å; R129-M132 PolarHBondContact O-N 3.35Å; R129-L133 WeakPolarHBondContact O-CB 3.5Å; R129-L133 PolarHBondContact O-N 3.01Å |
| 130 | M | 61.6 | Low | 72.3 | Confident | 74 Ų | 74 | 96.3 Ų | 96.3 | 37% | 0.365 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -34.7 | -50.4 | 167 | -77.9 | -76.6 | -155.5 | 0 | 0 | 113.6 | L125 E128 G134 | L125-M130 HydrophobicContact CB-CE 3.79Å; L125-M130 HydrophobicContact CB-SD 3.76Å; L125-M130 HydrophobicContact CD2-SD 3.45Å; L125-M130 WeakPolarHBondContact CD2-SD 3.3Å; L125-M130 HydrophobicContact CG-SD 4.08Å; L125-M130 VanDerWaalsContact O-CG 3.24Å; L125-M130 WeakPolarHBondContact O-CG 3.41Å; E128-M130 PolarHBondContact O-N 2.81Å; M130-G134 PolarHBondContact O-N 3.23Å |
| 131 | K | 70.9 | Confident | 73.8 | Confident | 136 Ų | 136 | 89.7 Ų | 89.7 | 59% | 0.591 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -75.5 | -25.3 | -174.2 | -72.6 | 175.7 | 175.3 | 172.6 | 0 | 113.8 | G86 R129 P135 | G86-K131 WeakPolarHBondContact O-CE 3.21Å; G86-K131 WeakPolarHBondContact O-CG 3.4Å; R129-K131 PolarHBondContact O-N 3.05Å; R129-K131 VanDerWaalsContact O-N 3.11Å; K131-P135 WeakPolarHBondContact O-CD 3.3Å |
| 132 | M | 75.4 | Confident | 75.3 | Confident | 146 Ų | 146 | 89.6 Ų | 89.6 | 72% | 0.719 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -89 | -29 | 176.2 | -61.1 | -58.8 | -72.4 | 0 | 0 | 111.7 | R129 F136 | R129-M132 PolarHBondContact O-N 3.35Å; M132-F136 VanDerWaalsContact O-CB 3.3Å; M132-F136 WeakPolarHBondContact O-CB 3.39Å; M132-F136 PolarHBondContact O-N 3.2Å |
| 133 | L | 81.8 | Confident | 76.9 | Confident | 25 Ų | 25 | 91.3 Ų | 91.3 | 13% | 0.131 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -71.4 | -33.7 | -178.4 | -159.4 | 74.7 | 0 | 0 | 0 | 112.7 | L125 R129 F136 T137 | L125-L133 HydrophobicContact CD2-CD2 3.63Å; L125-L133 HydrophobicContact CG-CD2 4.43Å; R129-L133 WeakPolarHBondContact O-CB 3.5Å; R129-L133 PolarHBondContact O-N 3.01Å; L133-F136 HydrophobicContact CD1-CD1 4.15Å; L133-F136 PolarHBondContact O-N 3.04Å; L133-T137 HydrophobicContact CG-CG2 4.15Å; L133-T137 WeakPolarHBondContact O-CB 3.47Å; L133-T137 WeakPolarHBondContact O-CG2 3.17Å; L133-T137 PolarHBondContact O-N 3.42Å; L133-T137 PolarHBondContact O-OG1 3.46Å |
| 134 | G | 84.9 | Confident | 78.3 | Confident | 0 Ų | 0 | 86.4 Ų | 86.4 | 0% | 0 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -57 | -60.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | M130 F136 T137 M138 | M130-G134 PolarHBondContact O-N 3.23Å; G134-F136 VanDerWaalsContact C-N 3.31Å; G134-F136 PolarHBondContact O-N 3.42Å; G134-T137 PolarHBondContact O-N 3.43Å; G134-T137 PolarHBondContact O-OG1 2.87Å; G134-M138 WeakPolarHBondContact O-CB 3.3Å; G134-M138 PolarHBondContact O-N 2.91Å |
| 135 | P | 88.3 | Confident | 79.9 | Confident | 78 Ų | 78 | 84.4 Ų | 84.4 | 51% | 0.506 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58.1 | -37.3 | 174.6 | -26.6 | 35.6 | 0 | 0 | 0 | 114 | K131 G139 | K131-P135 WeakPolarHBondContact O-CD 3.3Å; P135-G139 PolarHBondContact O-N 3.37Å |
| 136 | F | 88.7 | Confident | 81.6 | Confident | 132 Ų | 132 | 88.3 Ų | 88.3 | 58% | 0.579 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -65.3 | -49.4 | 177.7 | 178.2 | -106.3 | 0 | 0 | 0 | 112.6 | M132 L133 G134 G139 I140 | M132-F136 VanDerWaalsContact O-CB 3.3Å; M132-F136 WeakPolarHBondContact O-CB 3.39Å; M132-F136 PolarHBondContact O-N 3.2Å; L133-F136 HydrophobicContact CD1-CD1 4.15Å; L133-F136 PolarHBondContact O-N 3.04Å; G134-F136 VanDerWaalsContact C-N 3.31Å; G134-F136 PolarHBondContact O-N 3.42Å; F136-G139 PolarHBondContact O-N 3.46Å; F136-I140 HydrophobicContact CD1-CD1 3.89Å; F136-I140 HydrophobicContact CD2-CD1 4.47Å; F136-I140 HydrophobicContact CE1-CD1 3.47Å; F136-I140 VanDerWaalsContact CE1-CD1 3.47Å; F136-I140 HydrophobicContact CE2-CD1 4.09Å; F136-I140 HydrophobicContact CG-CD1 4.38Å; F136-I140 HydrophobicContact CZ-CD1 3.59Å; F136-I140 WeakPolarHBondContact O-CG1 3.17Å; F136-I140 PolarHBondContact O-N 3.21Å |
| 137 | T | 89.3 | Confident | 83.3 | Confident | 28 Ų | 28 | 82.9 Ų | 82.9 | 17% | 0.172 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -69.8 | -33.3 | 177.6 | 52.2 | 0 | 0 | 0 | 0 | 112.3 | G79 L133 G134 I140 G141 | G79-T137 VanDerWaalsContact CA-OG1 3.32Å; G79-T137 WeakPolarHBondContact CA-OG1 3.31Å; L133-T137 HydrophobicContact CG-CG2 4.15Å; L133-T137 WeakPolarHBondContact O-CB 3.47Å; L133-T137 WeakPolarHBondContact O-CG2 3.17Å; L133-T137 PolarHBondContact O-N 3.42Å; L133-T137 PolarHBondContact O-OG1 3.46Å; G134-T137 PolarHBondContact O-N 3.43Å; G134-T137 PolarHBondContact O-OG1 2.87Å; T137-I140 PolarHBondContact O-N 3.41Å; T137-G141 PolarHBondContact O-N 2.86Å |
| 138 | M | 91.9 | Very high | 84.8 | Confident | 76 Ų | 76 | 78.7 Ų | 78.7 | 37% | 0.374 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.3 | -46.8 | 168.3 | 178.1 | 178.3 | -179.7 | 0 | 0 | 111.5 | L76 G134 G141 I142 | L76-M138 HydrophobicContact CD1-CB 4.49Å; L76-M138 HydrophobicContact CD1-CG 3.76Å; G134-M138 WeakPolarHBondContact O-CB 3.3Å; G134-M138 PolarHBondContact O-N 2.91Å; M138-G141 PolarHBondContact O-N 3.49Å; M138-I142 HydrophobicContact CE-CD1 3.89Å; M138-I142 HydrophobicContact CG-CD1 3.82Å; M138-I142 VanDerWaalsContact O-CG1 3.3Å; M138-I142 WeakPolarHBondContact O-CG1 3.32Å; M138-I142 PolarHBondContact O-N 3.42Å |
| 139 | G | 93.1 | Very high | 86 | Confident | 38 Ų | 38 | 72.5 Ų | 72.5 | 39% | 0.392 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | P135 F136 I142 F143 | P135-G139 PolarHBondContact O-N 3.37Å; F136-G139 PolarHBondContact O-N 3.46Å; G139-I142 PolarHBondContact O-N 3.28Å; G139-F143 WeakPolarHBondContact O-CB 3.32Å; G139-F143 PolarHBondContact O-N 3.28Å |
| 140 | I | 93.4 | Very high | 87.4 | Confident | 66 Ų | 66 | 66.1 Ų | 66.1 | 34% | 0.338 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 174.1 | -69.1 | 165.6 | 0 | 0 | 0 | 111.2 | I75 F136 T137 I142 F143 I144 | I75-I140 HydrophobicContact CG2-CG2 4.49Å; F136-I140 HydrophobicContact CD1-CD1 3.89Å; F136-I140 HydrophobicContact CD2-CD1 4.47Å; F136-I140 HydrophobicContact CE1-CD1 3.47Å; F136-I140 VanDerWaalsContact CE1-CD1 3.47Å; F136-I140 HydrophobicContact CE2-CD1 4.09Å; F136-I140 HydrophobicContact CG-CD1 4.38Å; F136-I140 HydrophobicContact CZ-CD1 3.59Å; F136-I140 WeakPolarHBondContact O-CG1 3.17Å; F136-I140 PolarHBondContact O-N 3.21Å; T137-I140 PolarHBondContact O-N 3.41Å; I140-I142 PolarHBondContact O-N 2.84Å; I140-F143 PolarHBondContact O-N 2.93Å; I140-I144 HydrophobicContact CG2-CD1 3.75Å; I140-I144 HydrophobicContact CG2-CG1 4.46Å; I140-I144 WeakPolarHBondContact O-CG1 3.39Å; I140-I144 PolarHBondContact O-N 3.39Å |
| 141 | G | 93.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T137 M138 F145 | T137-G141 PolarHBondContact O-N 2.86Å; M138-G141 PolarHBondContact O-N 3.49Å; G141-F145 VanDerWaalsContact O-CB 3.23Å; G141-F145 WeakPolarHBondContact O-CB 3.38Å; G141-F145 PolarHBondContact O-N 2.9Å |
| 142 | I | 93.9 | Very high | 88.8 | Confident | 62 Ų | 62 | 61.4 Ų | 61.4 | 32% | 0.318 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.4 | -44.2 | 175.5 | -68.7 | 166.8 | 0 | 0 | 0 | 111.1 | L76 M138 G139 I140 F145 I146 | L76-I142 HydrophobicContact CD1-CD1 4.31Å; L76-I142 HydrophobicContact CD1-CG1 3.89Å; L76-I142 HydrophobicContact CD2-CG1 4.36Å; M138-I142 HydrophobicContact CE-CD1 3.89Å; M138-I142 HydrophobicContact CG-CD1 3.82Å; M138-I142 VanDerWaalsContact O-CG1 3.3Å; M138-I142 WeakPolarHBondContact O-CG1 3.32Å; M138-I142 PolarHBondContact O-N 3.42Å; G139-I142 PolarHBondContact O-N 3.28Å; I140-I142 PolarHBondContact O-N 2.84Å; I142-F145 PolarHBondContact O-N 3.33Å; I142-I146 HydrophobicContact CG2-CD1 3.6Å; I142-I146 HydrophobicContact CG2-CG1 4.25Å; I142-I146 WeakPolarHBondContact O-CG1 3.23Å; I142-I146 PolarHBondContact O-N 3.49Å |
| 143 | F | 95.3 | Very high | 88.7 | Confident | 140 Ų | 140 | 59.6 Ų | 59.6 | 61% | 0.614 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -59.1 | -51.3 | 177.4 | 175.8 | -102.9 | 0 | 0 | 0 | 111.5 | G139 I140 F145 I146 C147 | G139-F143 WeakPolarHBondContact O-CB 3.32Å; G139-F143 PolarHBondContact O-N 3.28Å; I140-F143 PolarHBondContact O-N 2.93Å; F143-F145 VanDerWaalsContact C-N 3.32Å; F143-F145 PolarHBondContact O-N 3.42Å; F143-I146 PolarHBondContact O-N 3.01Å; F143-C147 WeakPolarHBondContact O-CB 3.49Å; F143-C147 PolarHBondContact O-N 3.25Å; F143-C147 PolarHBondContact O-SG 2.88Å; F143-C147 VanDerWaalsContact O-SG 3.37Å |
| 144 | I | 92.7 | Very high | 88.5 | Confident | 45 Ų | 45 | 63.2 Ų | 63.2 | 23% | 0.231 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.6 | -43.5 | 176.4 | -66.3 | 168 | 0 | 0 | 0 | 110.7 | I75 I140 A148 | I75-I144 HydrophobicContact CD1-CD1 3.82Å; I140-I144 HydrophobicContact CG2-CD1 3.75Å; I140-I144 HydrophobicContact CG2-CG1 4.46Å; I140-I144 WeakPolarHBondContact O-CG1 3.39Å; I140-I144 PolarHBondContact O-N 3.39Å; I144-A148 WeakPolarHBondContact O-CB 3.45Å; I144-A148 PolarHBondContact O-N 2.95Å |
| 145 | F | 90.8 | Very high | 87.7 | Confident | 75 Ų | 75 | 66.6 Ų | 66.6 | 33% | 0.329 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 177.9 | 179.4 | -98.9 | 0 | 0 | 0 | 112.2 | L69 G141 I142 F143 N149 | L69-F145 HydrophobicContact CD2-CD2 3.72Å; L69-F145 HydrophobicContact CD2-CE2 3.76Å; L69-F145 HydrophobicContact CD2-CG 4.43Å; L69-F145 HydrophobicContact CD2-CZ 4.49Å; L69-F145 WeakPolarHBondContact CD2-O 3.36Å; G141-F145 VanDerWaalsContact O-CB 3.23Å; G141-F145 WeakPolarHBondContact O-CB 3.38Å; G141-F145 PolarHBondContact O-N 2.9Å; I142-F145 PolarHBondContact O-N 3.33Å; F143-F145 VanDerWaalsContact C-N 3.32Å; F143-F145 PolarHBondContact O-N 3.42Å; F145-N149 WeakPolarHBondContact O-CB 3.09Å; F145-N149 PolarHBondContact O-N 3.17Å |
| 146 | I | 92.9 | Very high | 86.7 | Confident | 101 Ų | 101 | 67.2 Ų | 67.2 | 52% | 0.518 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.2 | -45.3 | 178.9 | -67.6 | 170.8 | 0 | 0 | 0 | 110.9 | I142 F143 N149 A150 | I142-I146 HydrophobicContact CG2-CD1 3.6Å; I142-I146 HydrophobicContact CG2-CG1 4.25Å; I142-I146 WeakPolarHBondContact O-CG1 3.23Å; I142-I146 PolarHBondContact O-N 3.49Å; F143-I146 PolarHBondContact O-N 3.01Å; I146-N149 PolarHBondContact O-N 3.03Å; I146-A150 WeakPolarHBondContact O-CB 3.35Å; I146-A150 PolarHBondContact O-N 3.14Å |
| 147 | C | 91.1 | Very high | 85.1 | Confident | 49 Ų | 49 | 64.3 Ų | 64.3 | 33% | 0.331 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 177 | -70.2 | 0 | 0 | 0 | 0 | 111.8 | F143 N149 A150 I151 | F143-C147 WeakPolarHBondContact O-CB 3.49Å; F143-C147 PolarHBondContact O-N 3.25Å; F143-C147 PolarHBondContact O-SG 2.88Å; F143-C147 VanDerWaalsContact O-SG 3.37Å; C147-N149 VanDerWaalsContact C-N 3.31Å; C147-N149 PolarHBondContact O-N 2.99Å; C147-A150 PolarHBondContact O-N 2.82Å; C147-I151 WeakPolarHBondContact O-CG1 2.99Å; C147-I151 PolarHBondContact O-N 2.84Å |
| 148 | A | 89 | Confident | 83.6 | Confident | 5 Ų | 5 | 69.6 Ų | 69.6 | 4% | 0.041 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.3 | -33 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | F68 L69 I144 L152 | F68-A148 HydrophobicContact CB-CB 3.67Å; L69-A148 HydrophobicContact CB-CB 4.48Å; L69-A148 HydrophobicContact CD2-CB 3.91Å; L69-A148 HydrophobicContact CG-CB 3.85Å; I144-A148 WeakPolarHBondContact O-CB 3.45Å; I144-A148 PolarHBondContact O-N 2.95Å; A148-L152 VanDerWaalsContact O-CB 3.28Å; A148-L152 WeakPolarHBondContact O-CB 3.48Å; A148-L152 PolarHBondContact O-N 3.48Å |
| 149 | N | 87.2 | Confident | 81.8 | Confident | 51 Ų | 51 | 70.8 Ų | 70.8 | 27% | 0.273 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -69.9 | -40.9 | 174.7 | -162.2 | 46.8 | 0 | 0 | 0 | 111.5 | L69 F145 I146 C147 L152 H153 | L69-N149 HydrophobicContact CD2-CB 3.82Å; F145-N149 WeakPolarHBondContact O-CB 3.09Å; F145-N149 PolarHBondContact O-N 3.17Å; I146-N149 PolarHBondContact O-N 3.03Å; C147-N149 VanDerWaalsContact C-N 3.31Å; C147-N149 PolarHBondContact O-N 2.99Å; N149-L152 CarbonylContact O-C 3.53Å; N149-L152 PolarHBondContact O-N 3.42Å; N149-H153 PolarHBondContact ND2-CD2 3.26Å; N149-H153 PolarHBondContact ND2-NE2 3.45Å; N149-H153 WeakPolarHBondContact O-CB 3.36Å; N149-H153 PolarHBondContact O-CD2 3.43Å; N149-H153 PolarHBondContact O-N 2.77Å; N149-H153 PolarHBondContact OD1-CD2 2.87Å |
| 150 | A | 88.5 | Confident | 79.8 | Confident | 61 Ų | 61 | 72.5 Ų | 72.5 | 50% | 0.504 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.3 | -48.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | I146 C147 L152 H153 E154 | I146-A150 WeakPolarHBondContact O-CB 3.35Å; I146-A150 PolarHBondContact O-N 3.14Å; C147-A150 PolarHBondContact O-N 2.82Å; A150-L152 VanDerWaalsContact C-N 3.33Å; A150-L152 PolarHBondContact O-N 2.79Å; A150-H153 PolarHBondContact O-N 3.49Å; A150-E154 WeakPolarHBondContact O-CB 3.39Å; A150-E154 PolarHBondContact O-N 3.43Å |
| 151 | I | 84.8 | Confident | 77.7 | Confident | 91 Ų | 91 | 75.2 Ų | 75.2 | 47% | 0.467 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 174.9 | -65.5 | 164.4 | 0 | 0 | 0 | 111.1 | C147 E154 N155 | C147-I151 WeakPolarHBondContact O-CG1 2.99Å; C147-I151 PolarHBondContact O-N 2.84Å; I151-E154 PolarHBondContact O-N 3.27Å; I151-N155 WeakPolarHBondContact O-CB 3.47Å; I151-N155 PolarHBondContact O-N 3.23Å |
| 152 | L | 78.1 | Confident | 75.7 | Confident | 20 Ų | 20 | 80.3 Ų | 80.3 | 11% | 0.105 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -68.4 | -38 | 176.4 | -169.6 | 112.3 | 0 | 0 | 0 | 111.7 | L59 L69 A148 N149 A150 N155 R156 | L59-L152 HydrophobicContact CD2-CD2 3.83Å; L69-L152 HydrophobicContact CD1-CB 3.97Å; L69-L152 HydrophobicContact CD1-CD1 3.88Å; L69-L152 HydrophobicContact CD1-CD2 3.9Å; L69-L152 HydrophobicContact CD1-CG 4.11Å; A148-L152 VanDerWaalsContact O-CB 3.28Å; A148-L152 WeakPolarHBondContact O-CB 3.48Å; A148-L152 PolarHBondContact O-N 3.48Å; N149-L152 CarbonylContact O-C 3.53Å; N149-L152 PolarHBondContact O-N 3.42Å; A150-L152 VanDerWaalsContact C-N 3.33Å; A150-L152 PolarHBondContact O-N 2.79Å; L152-N155 PolarHBondContact O-N 3.21Å; L152-R156 WeakPolarHBondContact O-CA 3.44Å; L152-R156 WeakPolarHBondContact O-CB 3.37Å; L152-R156 PolarHBondContact O-N 2.83Å |
| 153 | H | 72.7 | Confident | 73.9 | Confident | 108 Ų | 108 | 83 Ų | 83 | 50% | 0.5 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.3 | -39.2 | 174.8 | -88.3 | -79.8 | 0 | 0 | 0 | 112 | N149 A150 R156 D157 | N149-H153 PolarHBondContact ND2-CD2 3.26Å; N149-H153 PolarHBondContact ND2-NE2 3.45Å; N149-H153 WeakPolarHBondContact O-CB 3.36Å; N149-H153 PolarHBondContact O-CD2 3.43Å; N149-H153 PolarHBondContact O-N 2.77Å; N149-H153 PolarHBondContact OD1-CD2 2.87Å; A150-H153 PolarHBondContact O-N 3.49Å; H153-R156 PolarHBondContact O-N 3.03Å; H153-D157 WeakPolarHBondContact O-CB 3.28Å; H153-D157 PolarHBondContact O-N 3.33Å |
| 154 | E | 77.7 | Confident | 71.8 | Confident | 102 Ų | 102 | 82.8 Ų | 82.8 | 48% | 0.477 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.6 | -50.3 | 172.6 | -168.9 | -162.2 | 159.1 | 0 | 0 | 111.2 | A150 I151 R156 D157 R158 | A150-E154 WeakPolarHBondContact O-CB 3.39Å; A150-E154 PolarHBondContact O-N 3.43Å; I151-E154 PolarHBondContact O-N 3.27Å; E154-R156 VanDerWaalsContact C-N 3.3Å; E154-R156 PolarHBondContact O-N 2.85Å; E154-D157 PolarHBondContact O-N 2.83Å; E154-R158 WeakPolarHBondContact O-CG 3.34Å; E154-R158 PolarHBondContact O-N 3.37Å; E154-R158 IonicContact OE1-CZ 2.67Å; E154-R158 IonicContact OE1-NE 3.43Å; E154-R158 PolarHBondContact OE1-NE 3.23Å; E154-R158 IonicContact OE1-NH2 3.46Å; E154-R158 PolarHBondContact OE1-NH2 2.73Å |
| 155 | N | 68.4 | Low | 70.1 | Confident | 71 Ų | 71 | 84.9 Ų | 84.9 | 38% | 0.38 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -70.8 | -29.4 | -178.2 | -142.6 | 7.8 | 0 | 0 | 0 | 111.9 | I151 L152 R158 E159 | I151-N155 WeakPolarHBondContact O-CB 3.47Å; I151-N155 PolarHBondContact O-N 3.23Å; L152-N155 PolarHBondContact O-N 3.21Å; N155-R158 WeakPolarHBondContact O-CB 3.21Å; N155-R158 PolarHBondContact O-N 3.46Å; N155-E159 WeakPolarHBondContact O-CG 3.45Å; N155-E159 PolarHBondContact O-N 3.49Å |
| 156 | R | 66.6 | Low | 68.6 | Low | 90 Ų | 90 | 90.4 Ų | 90.4 | 34% | 0.34 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -74.1 | -33.8 | 173.5 | -169.1 | 174.5 | -160.8 | 73.4 | 3.1 | 112.2 | L152 H153 E154 R158 E159 T160 | L152-R156 WeakPolarHBondContact O-CA 3.44Å; L152-R156 WeakPolarHBondContact O-CB 3.37Å; L152-R156 PolarHBondContact O-N 2.83Å; H153-R156 PolarHBondContact O-N 3.03Å; E154-R156 VanDerWaalsContact C-N 3.3Å; E154-R156 PolarHBondContact O-N 2.85Å; R156-R158 VanDerWaalsContact C-N 3.33Å; R156-E159 PolarHBondContact O-N 2.86Å; R156-T160 PolarHBondContact O-N 2.8Å; R156-T160 PolarHBondContact O-OG1 2.87Å |
| 157 | D | 56.3 | Low | 66.7 | Low | 71 Ų | 71 | 90.5 Ų | 90.5 | 38% | 0.38 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.9 | -39.3 | 170.1 | -177.8 | 54.9 | 0 | 0 | 0 | 110.9 | H153 E154 T160 K161 | H153-D157 WeakPolarHBondContact O-CB 3.28Å; H153-D157 PolarHBondContact O-N 3.33Å; E154-D157 PolarHBondContact O-N 2.83Å; D157-T160 WeakPolarHBondContact CA-OG1 3.39Å; D157-T160 PolarHBondContact O-N 2.94Å; D157-T160 PolarHBondContact O-OG1 3.42Å; D157-K161 VanDerWaalsContact O-CB 3.3Å; D157-K161 WeakPolarHBondContact O-CB 3.5Å; D157-K161 WeakPolarHBondContact O-CG 3.28Å; D157-K161 PolarHBondContact O-N 2.81Å; D157-K161 WeakPolarHBondContact OD2-CE 3.44Å; D157-K161 IonicContact OD2-NZ 3.91Å; D157-K161 PolarHBondContact OD2-NZ 2.92Å |
| 158 | R | 57.6 | Low | 65.2 | Low | 139 Ų | 139 | 93.3 Ų | 93.3 | 53% | 0.525 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.1 | -48.1 | 168.8 | -63.6 | 174.1 | -171.2 | -139 | 3.5 | 111.3 | E154 N155 R156 T160 K161 I162 | E154-R158 WeakPolarHBondContact O-CG 3.34Å; E154-R158 PolarHBondContact O-N 3.37Å; E154-R158 IonicContact OE1-CZ 2.67Å; E154-R158 IonicContact OE1-NE 3.43Å; E154-R158 PolarHBondContact OE1-NE 3.23Å; E154-R158 IonicContact OE1-NH2 3.46Å; E154-R158 PolarHBondContact OE1-NH2 2.73Å; N155-R158 WeakPolarHBondContact O-CB 3.21Å; N155-R158 PolarHBondContact O-N 3.46Å; R156-R158 VanDerWaalsContact C-N 3.33Å; R158-T160 PolarHBondContact O-N 3.24Å; R158-K161 PolarHBondContact O-N 3.41Å; R158-I162 WeakPolarHBondContact O-CD1 3.48Å; R158-I162 WeakPolarHBondContact O-CG1 3.04Å; R158-I162 PolarHBondContact O-N 3.37Å |
| 159 | E | 53.5 | Low | 63.6 | Low | 102 Ų | 102 | 99.4 Ų | 99.4 | 48% | 0.477 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.9 | -40.7 | 176.4 | -74.9 | -178.3 | 176 | 0 | 0 | 113.1 | N155 R156 I162 I163 | N155-E159 WeakPolarHBondContact O-CG 3.45Å; N155-E159 PolarHBondContact O-N 3.49Å; R156-E159 PolarHBondContact O-N 2.86Å; E159-I162 PolarHBondContact O-N 2.93Å; E159-I163 WeakPolarHBondContact O-CG1 3.41Å; E159-I163 PolarHBondContact O-N 3.44Å |
| 160 | T | 50.9 | Low | 62.4 | Low | 74 Ų | 74 | 100.1 Ų | 100.1 | 45% | 0.454 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -71.1 | -34.5 | 175.5 | 47.3 | 0 | 0 | 0 | 0 | 112.6 | R156 D157 R158 I163 H164 | R156-T160 PolarHBondContact O-N 2.8Å; R156-T160 PolarHBondContact O-OG1 2.87Å; D157-T160 WeakPolarHBondContact CA-OG1 3.39Å; D157-T160 PolarHBondContact O-N 2.94Å; D157-T160 PolarHBondContact O-OG1 3.42Å; R158-T160 PolarHBondContact O-N 3.24Å; T160-I163 PolarHBondContact O-N 3.39Å; T160-H164 VanDerWaalsContact O-CB 3.23Å; T160-H164 WeakPolarHBondContact O-CB 3.21Å; T160-H164 PolarHBondContact O-N 3.27Å |
| 161 | K | 49.7 | Very low | 61.4 | Low | 122 Ų | 122 | 100.6 Ų | 100.6 | 53% | 0.53 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.9 | -44 | 168 | -82.9 | 168.1 | 176.3 | 154.5 | 0 | 111.2 | D157 R158 I163 H164 M165 | D157-K161 VanDerWaalsContact O-CB 3.3Å; D157-K161 WeakPolarHBondContact O-CB 3.5Å; D157-K161 WeakPolarHBondContact O-CG 3.28Å; D157-K161 PolarHBondContact O-N 2.81Å; D157-K161 WeakPolarHBondContact OD2-CE 3.44Å; D157-K161 IonicContact OD2-NZ 3.91Å; D157-K161 PolarHBondContact OD2-NZ 2.92Å; R158-K161 PolarHBondContact O-N 3.41Å; K161-I163 VanDerWaalsContact C-N 3.34Å; K161-I163 PolarHBondContact O-N 2.87Å; K161-H164 PolarHBondContact O-N 2.96Å; K161-M165 WeakPolarHBondContact O-CB 3.35Å; K161-M165 WeakPolarHBondContact O-CG 3.36Å; K161-M165 PolarHBondContact O-N 3.43Å |
| 162 | I | 52.3 | Low | 60.5 | Low | 108 Ų | 108 | 99.3 Ų | 99.3 | 55% | 0.554 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.8 | -40.6 | 177.9 | -66.9 | 158 | 0 | 0 | 0 | 110.9 | R158 E159 R166 | R158-I162 WeakPolarHBondContact O-CD1 3.48Å; R158-I162 WeakPolarHBondContact O-CG1 3.04Å; R158-I162 PolarHBondContact O-N 3.37Å; E159-I162 PolarHBondContact O-N 2.93Å; I162-R166 WeakPolarHBondContact O-CB 3.42Å; I162-R166 PolarHBondContact O-N 3.42Å |
| 163 | I | 55.8 | Low | 60.1 | Low | 118 Ų | 118 | 102.8 Ų | 102.8 | 61% | 0.605 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -68.1 | -46.4 | 175.6 | -66.4 | 166.2 | 0 | 0 | 0 | 111.2 | E159 T160 K161 R166 D167 | E159-I163 WeakPolarHBondContact O-CG1 3.41Å; E159-I163 PolarHBondContact O-N 3.44Å; T160-I163 PolarHBondContact O-N 3.39Å; K161-I163 VanDerWaalsContact C-N 3.34Å; K161-I163 PolarHBondContact O-N 2.87Å; I163-R166 PolarHBondContact O-N 2.97Å; I163-D167 WeakPolarHBondContact O-CB 3.43Å; I163-D167 PolarHBondContact O-N 3.32Å |
| 164 | H | 50.2 | Low | 59.9 | Low | 136 Ų | 136 | 101.6 Ų | 101.6 | 63% | 0.63 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.7 | -42.5 | 180 | -173.7 | -95.5 | 0 | 0 | 0 | 112.5 | T160 K161 D167 M168 | T160-H164 VanDerWaalsContact O-CB 3.23Å; T160-H164 WeakPolarHBondContact O-CB 3.21Å; T160-H164 PolarHBondContact O-N 3.27Å; K161-H164 PolarHBondContact O-N 2.96Å; H164-D167 PolarHBondContact O-N 2.84Å; H164-M168 WeakPolarHBondContact O-CB 3.44Å; H164-M168 PolarHBondContact O-N 2.91Å |
| 165 | M | 57 | Low | 59.8 | Low | 89 Ų | 89 | 101.7 Ų | 101.7 | 44% | 0.438 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 173.2 | -68.3 | -72.4 | -87.8 | 0 | 0 | 110.8 | K161 D167 M168 Y169 | K161-M165 WeakPolarHBondContact O-CB 3.35Å; K161-M165 WeakPolarHBondContact O-CG 3.36Å; K161-M165 PolarHBondContact O-N 3.43Å; M165-D167 VanDerWaalsContact C-N 3.33Å; M165-D167 PolarHBondContact O-N 3.28Å; M165-M168 PolarHBondContact O-N 3.3Å; M165-Y169 HydrophobicContact CB-CD2 4.49Å; M165-Y169 HydrophobicContact CB-CE2 4.42Å; M165-Y169 HydrophobicContact CE-CE2 3.93Å; M165-Y169 WeakPolarHBondContact O-CD2 3.11Å; M165-Y169 PolarHBondContact O-N 3.48Å; M165-Y169 HydrophobicContact SD-CE2 4.46Å |
| 166 | R | 60.1 | Low | 59.9 | Low | 190 Ų | 190 | 104.6 Ų | 104.6 | 72% | 0.717 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.3 | -36.3 | 177 | -171.4 | 176.4 | -166.5 | 142.9 | 4.3 | 112.3 | I162 I163 S170 | I162-R166 WeakPolarHBondContact O-CB 3.42Å; I162-R166 PolarHBondContact O-N 3.42Å; I163-R166 PolarHBondContact O-N 2.97Å; R166-S170 WeakPolarHBondContact O-CA 3.38Å; R166-S170 WeakPolarHBondContact O-CB 3.18Å; R166-S170 PolarHBondContact O-N 2.79Å |
| 167 | D | 54.1 | Low | 60.2 | Low | 104 Ų | 104 | 107.3 Ų | 107.3 | 56% | 0.556 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -72.5 | -39.8 | 176.8 | -157.1 | 26.3 | 0 | 0 | 0 | 111.3 | I163 H164 M165 S170 T171 | I163-D167 WeakPolarHBondContact O-CB 3.43Å; I163-D167 PolarHBondContact O-N 3.32Å; H164-D167 PolarHBondContact O-N 2.84Å; M165-D167 VanDerWaalsContact C-N 3.33Å; M165-D167 PolarHBondContact O-N 3.28Å; D167-S170 PolarHBondContact O-N 3.34Å; D167-T171 WeakPolarHBondContact O-CB 3.43Å; D167-T171 WeakPolarHBondContact O-CG2 3.09Å; D167-T171 PolarHBondContact O-N 3.44Å; D167-T171 PolarHBondContact O-OG1 3.02Å |
| 168 | M | 58.2 | Low | 60.7 | Low | 107 Ų | 107 | 108.1 Ų | 108.1 | 53% | 0.527 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.4 | -49.7 | 171.5 | -173.2 | -173.5 | -176.7 | 0 | 0 | 112 | H164 M165 T171 V172 | H164-M168 WeakPolarHBondContact O-CB 3.44Å; H164-M168 PolarHBondContact O-N 2.91Å; M165-M168 PolarHBondContact O-N 3.3Å; M168-T171 PolarHBondContact O-OG1 2.93Å; M168-V172 WeakPolarHBondContact O-CG2 3.38Å; M168-V172 PolarHBondContact O-N 3.49Å; M168-V172 VanDerWaalsContact O-N 3.12Å |
| 169 | Y | 56.8 | Low | 61.1 | Low | 134 Ų | 134 | 109.1 Ų | 109.1 | 53% | 0.525 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -71.6 | -33.7 | 177.6 | -68 | -61.5 | 0 | 0 | 0 | 112.5 | M165 V172 I173 | M165-Y169 HydrophobicContact CB-CD2 4.49Å; M165-Y169 HydrophobicContact CB-CE2 4.42Å; M165-Y169 HydrophobicContact CE-CE2 3.93Å; M165-Y169 WeakPolarHBondContact O-CD2 3.11Å; M165-Y169 PolarHBondContact O-N 3.48Å; M165-Y169 HydrophobicContact SD-CE2 4.46Å; Y169-V172 PolarHBondContact O-N 3.45Å; Y169-I173 WeakPolarHBondContact O-CB 3.3Å; Y169-I173 WeakPolarHBondContact O-CD1 3.46Å; Y169-I173 WeakPolarHBondContact O-CG1 3.41Å; Y169-I173 PolarHBondContact O-N 3.4Å |
| 170 | S | 62 | Low | 61.8 | Low | 66 Ų | 66 | 108.8 Ų | 108.8 | 46% | 0.462 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.8 | -38.7 | 176.4 | -168.8 | 0 | 0 | 0 | 0 | 112 | R166 D167 I173 D174 | R166-S170 WeakPolarHBondContact O-CA 3.38Å; R166-S170 WeakPolarHBondContact O-CB 3.18Å; R166-S170 PolarHBondContact O-N 2.79Å; D167-S170 PolarHBondContact O-N 3.34Å; S170-I173 PolarHBondContact O-N 2.86Å; S170-D174 VanDerWaalsContact O-CB 3.28Å; S170-D174 WeakPolarHBondContact O-CB 3.35Å; S170-D174 PolarHBondContact O-N 2.82Å |
| 171 | T | 66.7 | Low | 62.6 | Low | 71 Ų | 71 | 112.6 Ų | 112.6 | 44% | 0.436 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.9 | -40.8 | 174 | 48.3 | 0 | 0 | 0 | 0 | 111.5 | D167 M168 D174 I175 | D167-T171 WeakPolarHBondContact O-CB 3.43Å; D167-T171 WeakPolarHBondContact O-CG2 3.09Å; D167-T171 PolarHBondContact O-N 3.44Å; D167-T171 PolarHBondContact O-OG1 3.02Å; M168-T171 PolarHBondContact O-OG1 2.93Å; T171-D174 PolarHBondContact O-N 3.31Å; T171-I175 WeakPolarHBondContact O-CB 3.23Å; T171-I175 WeakPolarHBondContact O-CD1 3.35Å; T171-I175 WeakPolarHBondContact O-CG1 3.32Å; T171-I175 PolarHBondContact O-N 3Å |
| 172 | V | 65.7 | Low | 63.3 | Low | 64 Ų | 64 | 110.4 Ų | 110.4 | 39% | 0.388 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 173.3 | 171.3 | 0 | 0 | 0 | 0 | 112 | M168 Y169 D174 I175 H176 | M168-V172 WeakPolarHBondContact O-CG2 3.38Å; M168-V172 PolarHBondContact O-N 3.49Å; M168-V172 VanDerWaalsContact O-N 3.12Å; Y169-V172 PolarHBondContact O-N 3.45Å; V172-D174 VanDerWaalsContact C-N 3.31Å; V172-D174 PolarHBondContact O-N 3.04Å; V172-I175 PolarHBondContact O-N 3.33Å; V172-H176 PolarHBondContact O-CD2 2.67Å; V172-H176 PolarHBondContact O-N 3.12Å |
| 173 | I | 68.9 | Low | 63.7 | Low | 92 Ų | 92 | 111 Ų | 111 | 47% | 0.472 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.1 | -38.2 | 176 | -70.4 | 163.5 | 0 | 0 | 0 | 110.8 | Y169 S170 H176 R177 | Y169-I173 WeakPolarHBondContact O-CB 3.3Å; Y169-I173 WeakPolarHBondContact O-CD1 3.46Å; Y169-I173 WeakPolarHBondContact O-CG1 3.41Å; Y169-I173 PolarHBondContact O-N 3.4Å; S170-I173 PolarHBondContact O-N 2.86Å; I173-H176 PolarHBondContact O-N 3.47Å; I173-R177 WeakPolarHBondContact O-CB 3.36Å; I173-R177 VanDerWaalsContact O-CG 3.29Å; I173-R177 WeakPolarHBondContact O-CG 3.32Å; I173-R177 PolarHBondContact O-N 3.03Å |
| 174 | D | 70.1 | Confident | 64.1 | Low | 84 Ų | 84 | 113 Ų | 113 | 45% | 0.449 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -73.1 | -36.6 | 178.2 | -154.9 | 40 | 0 | 0 | 0 | 111.9 | S170 T171 V172 R177 L178 | S170-D174 VanDerWaalsContact O-CB 3.28Å; S170-D174 WeakPolarHBondContact O-CB 3.35Å; S170-D174 PolarHBondContact O-N 2.82Å; T171-D174 PolarHBondContact O-N 3.31Å; V172-D174 VanDerWaalsContact C-N 3.31Å; V172-D174 PolarHBondContact O-N 3.04Å; D174-R177 CarbonylContact O-C 3.6Å; D174-R177 PolarHBondContact O-N 3.32Å; D174-L178 WeakPolarHBondContact O-CB 3.26Å; D174-L178 PolarHBondContact O-N 2.72Å |
| 175 | I | 75.8 | Confident | 64.6 | Low | 103 Ų | 103 | 112.5 Ų | 112.5 | 53% | 0.528 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 170.3 | -70.9 | 160 | 0 | 0 | 0 | 111 | T171 V172 L178 R179 | T171-I175 WeakPolarHBondContact O-CB 3.23Å; T171-I175 WeakPolarHBondContact O-CD1 3.35Å; T171-I175 WeakPolarHBondContact O-CG1 3.32Å; T171-I175 PolarHBondContact O-N 3Å; V172-I175 PolarHBondContact O-N 3.33Å; I175-L178 WeakPolarHBondContact O-CB 3.22Å; I175-L178 PolarHBondContact O-N 3.47Å; I175-R179 WeakPolarHBondContact O-CB 3.47Å; I175-R179 WeakPolarHBondContact O-CG 3.47Å; I175-R179 PolarHBondContact O-N 3.35Å |
| 176 | H | 70.2 | Confident | 64.6 | Low | 132 Ų | 132 | 116.1 Ų | 116.1 | 61% | 0.611 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.5 | -39.1 | 174.5 | -87.9 | -78.5 | 0 | 0 | 0 | 112.1 | V172 I173 Q180 | V172-H176 PolarHBondContact O-CD2 2.67Å; V172-H176 PolarHBondContact O-N 3.12Å; I173-H176 PolarHBondContact O-N 3.47Å; H176-Q180 VanDerWaalsContact O-CB 3.25Å; H176-Q180 WeakPolarHBondContact O-CB 3.29Å; H176-Q180 PolarHBondContact O-N 2.94Å |
| 177 | R | 71.4 | Confident | 64.5 | Low | 147 Ų | 147 | 113.6 Ų | 113.6 | 56% | 0.555 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.5 | -35.1 | 172.8 | -76.8 | 174.5 | 171.8 | -173 | -1.8 | 112.5 | I173 D174 R181 | I173-R177 WeakPolarHBondContact O-CB 3.36Å; I173-R177 VanDerWaalsContact O-CG 3.29Å; I173-R177 WeakPolarHBondContact O-CG 3.32Å; I173-R177 PolarHBondContact O-N 3.03Å; D174-R177 CarbonylContact O-C 3.6Å; D174-R177 PolarHBondContact O-N 3.32Å; R177-R181 WeakPolarHBondContact O-CB 3.34Å; R177-R181 WeakPolarHBondContact O-CG 3.44Å; R177-R181 PolarHBondContact O-N 2.94Å |
| 178 | L | 67.9 | Low | 64.7 | Low | 89 Ų | 89 | 115.2 Ų | 115.2 | 47% | 0.466 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.1 | -53.8 | 175.9 | -149.5 | 91.4 | 0 | 0 | 0 | 109.7 | D174 I175 Q180 R181 E182 | D174-L178 WeakPolarHBondContact O-CB 3.26Å; D174-L178 PolarHBondContact O-N 2.72Å; I175-L178 WeakPolarHBondContact O-CB 3.22Å; I175-L178 PolarHBondContact O-N 3.47Å; L178-Q180 VanDerWaalsContact C-N 3.29Å; L178-Q180 PolarHBondContact O-N 3.3Å; L178-R181 CarbonylContact O-C 3.58Å; L178-R181 WeakPolarHBondContact O-CA 3.42Å; L178-R181 WeakPolarHBondContact O-CB 3.45Å; L178-R181 PolarHBondContact O-N 3.38Å; L178-E182 WeakPolarHBondContact O-CG 3.4Å; L178-E182 PolarHBondContact O-N 3.12Å |
| 179 | R | 66.1 | Low | 64.5 | Low | 159 Ų | 159 | 116.2 Ų | 116.2 | 60% | 0.6 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -58.4 | -38.6 | 176.9 | -72.8 | -81.7 | -80.6 | -164.6 | -6.5 | 112.4 | I175 Q183 | I175-R179 WeakPolarHBondContact O-CB 3.47Å; I175-R179 WeakPolarHBondContact O-CG 3.47Å; I175-R179 PolarHBondContact O-N 3.35Å; R179-Q183 WeakPolarHBondContact O-CB 3.48Å; R179-Q183 WeakPolarHBondContact O-CG 3.25Å; R179-Q183 PolarHBondContact O-N 3.06Å |
| 180 | Q | 67.2 | Low | 64.4 | Low | 95 Ų | 95 | 116 Ų | 116 | 44% | 0.444 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -70.9 | -35 | 175.3 | -165.6 | -177.9 | 38.3 | 0 | 0 | 112.3 | H176 L178 R184 | H176-Q180 VanDerWaalsContact O-CB 3.25Å; H176-Q180 WeakPolarHBondContact O-CB 3.29Å; H176-Q180 PolarHBondContact O-N 2.94Å; L178-Q180 VanDerWaalsContact C-N 3.29Å; L178-Q180 PolarHBondContact O-N 3.3Å; Q180-R184 VanDerWaalsContact NE2-NH2 3.15Å; Q180-R184 WeakPolarHBondContact O-CB 3.16Å; Q180-R184 VanDerWaalsContact O-CG 3.22Å; Q180-R184 WeakPolarHBondContact O-CG 3.33Å; Q180-R184 PolarHBondContact O-N 2.88Å; Q180-R184 VanDerWaalsContact O-N 3.08Å |
| 181 | R | 67.6 | Low | 63.8 | Low | 154 Ų | 154 | 119.6 Ų | 119.6 | 58% | 0.581 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -68.1 | -42.8 | 173 | -78.2 | 169.5 | 174.8 | 171.2 | -1.9 | 111.5 | R177 L178 R184 Q185 | R177-R181 WeakPolarHBondContact O-CB 3.34Å; R177-R181 WeakPolarHBondContact O-CG 3.44Å; R177-R181 PolarHBondContact O-N 2.94Å; L178-R181 CarbonylContact O-C 3.58Å; L178-R181 WeakPolarHBondContact O-CA 3.42Å; L178-R181 WeakPolarHBondContact O-CB 3.45Å; L178-R181 PolarHBondContact O-N 3.38Å; R181-R184 PolarHBondContact O-N 3.49Å; R181-Q185 WeakPolarHBondContact O-CG 3.32Å; R181-Q185 PolarHBondContact O-N 3.02Å |
| 182 | E | 64.7 | Low | 63 | Low | 77 Ų | 77 | 125.1 Ų | 125.1 | 36% | 0.36 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -58.2 | -52.5 | 173.6 | -72 | 171.4 | 168.3 | 0 | 0 | 110.7 | L178 R184 Q185 Y186 | L178-E182 WeakPolarHBondContact O-CG 3.4Å; L178-E182 PolarHBondContact O-N 3.12Å; E182-R184 VanDerWaalsContact C-N 3.29Å; E182-R184 PolarHBondContact O-N 3.31Å; E182-Q185 PolarHBondContact O-N 2.87Å; E182-Y186 VanDerWaalsContact O-CD2 3.26Å; E182-Y186 WeakPolarHBondContact O-CD2 3.39Å; E182-Y186 PolarHBondContact O-N 3.29Å |
| 183 | Q | 62.2 | Low | 62.1 | Low | 120 Ų | 120 | 126 Ų | 126 | 56% | 0.561 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -56.3 | -40.6 | 176.2 | -77.3 | 176.9 | -23.8 | 0 | 0 | 112.8 | R179 Y186 H187 | R179-Q183 WeakPolarHBondContact O-CB 3.48Å; R179-Q183 WeakPolarHBondContact O-CG 3.25Å; R179-Q183 PolarHBondContact O-N 3.06Å; Q183-Y186 PolarHBondContact O-N 3.27Å; Q183-H187 PolarHBondContact O-CD2 3.02Å; Q183-H187 PolarHBondContact O-N 2.81Å |
| 184 | R | 64.1 | Low | 61.3 | Low | 159 Ų | 159 | 126.2 Ų | 126.2 | 60% | 0.6 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.7 | -37.5 | 174.7 | -72.1 | 173.2 | -170.3 | -161.8 | 7.1 | 112.4 | Q180 R181 E182 H188 | Q180-R184 VanDerWaalsContact NE2-NH2 3.15Å; Q180-R184 WeakPolarHBondContact O-CB 3.16Å; Q180-R184 VanDerWaalsContact O-CG 3.22Å; Q180-R184 WeakPolarHBondContact O-CG 3.33Å; Q180-R184 PolarHBondContact O-N 2.88Å; Q180-R184 VanDerWaalsContact O-N 3.08Å; R181-R184 PolarHBondContact O-N 3.49Å; E182-R184 VanDerWaalsContact C-N 3.29Å; E182-R184 PolarHBondContact O-N 3.31Å; R184-H188 WeakPolarHBondContact O-CB 3.08Å; R184-H188 PolarHBondContact O-N 2.95Å |
| 185 | Q | 60 | Low | 60.2 | Low | 126 Ų | 126 | 126.6 Ų | 126.6 | 59% | 0.589 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.6 | -41.5 | 175.5 | -76 | 177.3 | -60.4 | 0 | 0 | 112 | R181 E182 H188 H189 | R181-Q185 WeakPolarHBondContact O-CG 3.32Å; R181-Q185 PolarHBondContact O-N 3.02Å; E182-Q185 PolarHBondContact O-N 2.87Å; Q185-H188 PolarHBondContact O-N 3.3Å; Q185-H189 PolarHBondContact O-CD2 2.9Å; Q185-H189 PolarHBondContact O-N 2.88Å |
| 186 | Y | 57.8 | Low | 58.8 | Low | 166 Ų | 166 | 126.5 Ų | 126.5 | 65% | 0.651 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -58.7 | -50.1 | 172.6 | -83.2 | -75.7 | 0 | 0 | 0 | 111.5 | E182 Q183 H188 H189 H190 | E182-Y186 VanDerWaalsContact O-CD2 3.26Å; E182-Y186 WeakPolarHBondContact O-CD2 3.39Å; E182-Y186 PolarHBondContact O-N 3.29Å; Q183-Y186 PolarHBondContact O-N 3.27Å; Y186-H188 VanDerWaalsContact C-N 3.33Å; Y186-H188 PolarHBondContact O-N 2.91Å; Y186-H189 PolarHBondContact O-N 3.25Å; Y186-H190 PolarHBondContact O-CD2 3.08Å; Y186-H190 VanDerWaalsContact O-CD2 3.31Å; Y186-H190 PolarHBondContact O-N 3.48Å; Y186-H190 VanDerWaalsContact O-N 3.12Å |
| 187 | H | 57.5 | Low | 57.6 | Low | 137 Ų | 137 | 124.9 Ų | 124.9 | 63% | 0.634 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -61.9 | -37.7 | 176.7 | -83.6 | -65.2 | 0 | 0 | 0 | 113.3 | Q183 H190 H191 | Q183-H187 PolarHBondContact O-CD2 3.02Å; Q183-H187 PolarHBondContact O-N 2.81Å; H187-H190 PolarHBondContact O-N 2.93Å; H187-H191 PolarHBondContact O-N 2.93Å |
| 188 | H | 57.4 | Low | 56 | Low | 137 Ų | 137 | 124 Ų | 124 | 63% | 0.634 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -71.5 | -35.2 | 179.9 | -157.6 | 58.4 | 0 | 0 | 0 | 112.5 | R184 Q185 Y186 R192 | R184-H188 WeakPolarHBondContact O-CB 3.08Å; R184-H188 PolarHBondContact O-N 2.95Å; Q185-H188 PolarHBondContact O-N 3.3Å; Y186-H188 VanDerWaalsContact C-N 3.33Å; Y186-H188 PolarHBondContact O-N 2.91Å; H188-R192 WeakPolarHBondContact O-CB 3.2Å; H188-R192 PolarHBondContact O-N 3.35Å |
| 189 | H | 55.1 | Low | 54.5 | Low | 129 Ų | 129 | 126.1 Ų | 126.1 | 60% | 0.597 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.1 | -42.1 | 171.9 | -91.1 | -81 | 0 | 0 | 0 | 112.2 | Q185 Y186 R192 S193 | Q185-H189 PolarHBondContact O-CD2 2.9Å; Q185-H189 PolarHBondContact O-N 2.88Å; Y186-H189 PolarHBondContact O-N 3.25Å; H189-R192 PolarHBondContact O-N 2.84Å; H189-S193 PolarHBondContact O-N 3.32Å; H189-S193 VanDerWaalsContact O-N 3.12Å; H189-S193 PolarHBondContact O-OG 3.34Å |
| 190 | H | 53.2 | Low | 52.9 | Low | 129 Ų | 129 | 124.7 Ų | 124.7 | 60% | 0.597 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -64 | -43.4 | 175.5 | -81 | -74.7 | 0 | 0 | 0 | 112.8 | Y186 H187 R192 S193 S194 | Y186-H190 PolarHBondContact O-CD2 3.08Å; Y186-H190 VanDerWaalsContact O-CD2 3.31Å; Y186-H190 PolarHBondContact O-N 3.48Å; Y186-H190 VanDerWaalsContact O-N 3.12Å; H187-H190 PolarHBondContact O-N 2.93Å; H190-R192 PolarHBondContact O-N 3.44Å; H190-S193 PolarHBondContact O-N 2.84Å; H190-S194 PolarHBondContact O-N 3.42Å; H190-S194 PolarHBondContact O-OG 3.12Å |
| 191 | H | 51.2 | Low | 51.6 | Low | 141 Ų | 141 | 130.9 Ų | 130.9 | 65% | 0.653 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -69.8 | -30.6 | 179 | -106.9 | -76.4 | 0 | 0 | 0 | 114 | H187 S195 | H187-H191 PolarHBondContact O-N 2.93Å; H191-S195 PolarHBondContact O-N 2.89Å; H191-S195 PolarHBondContact O-OG 2.66Å |
| 192 | R | 49.1 | Very low | 49.8 | Very low | 187 Ų | 187 | 131 Ų | 131 | 71% | 0.706 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -74.3 | -28 | 175.2 | -167.3 | 173.4 | 179.6 | -156.7 | -2.6 | 112.6 | H188 H189 H190 | H188-R192 WeakPolarHBondContact O-CB 3.2Å; H188-R192 PolarHBondContact O-N 3.35Å; H189-R192 PolarHBondContact O-N 2.84Å; H190-R192 PolarHBondContact O-N 3.44Å |
| 193 | S | 47.7 | Very low | 48.6 | Very low | 84 Ų | 84 | 133.6 Ų | 133.6 | 59% | 0.587 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -73.8 | -39.1 | 173.7 | -60.3 | 0 | 0 | 0 | 0 | 112.8 | H189 H190 S195 | H189-S193 PolarHBondContact O-N 3.32Å; H189-S193 VanDerWaalsContact O-N 3.12Å; H189-S193 PolarHBondContact O-OG 3.34Å; H190-S193 PolarHBondContact O-N 2.84Å; S193-S195 PolarHBondContact O-N 3.46Å |
| 194 | S | 50.5 | Low | 47.2 | Very low | 96 Ų | 96 | 131.5 Ų | 131.5 | 67% | 0.671 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -81.2 | -7.4 | -178.1 | -56.9 | 0 | 0 | 0 | 0 | 115.3 | H190 | H190-S194 PolarHBondContact O-N 3.42Å; H190-S194 PolarHBondContact O-OG 3.12Å |
| 195 | S | 47.4 | Very low | 45.8 | Very low | 92 Ų | 92 | 131.3 Ų | 131.3 | 64% | 0.643 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | 2.8 | 177.4 | 45.1 | 0 | 0 | 0 | 0 | 113.6 | H191 S193 | H191-S195 PolarHBondContact O-N 2.89Å; H191-S195 PolarHBondContact O-OG 2.66Å; S193-S195 PolarHBondContact O-N 3.46Å |
| 196 | S | 45.8 | Very low | 44.6 | Very low | 101 Ų | 101 | 132 Ų | 132 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -94.6 | 7.8 | -175.9 | -169.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 197 | S | 46.2 | Very low | 43.4 | Very low | 97 Ų | 97 | 135 Ų | 135 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | | | trans | -129.3 | 36.1 | -168.2 | 73.2 | 0 | 0 | 0 | 0 | 115.9 | | |
| 198 | V | 38.3 | Very low | 42 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | | | trans | -138 | 88.7 | 157.8 | -172.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 199 | C | 35.6 | Very low | 40.6 | Very low | 135 Ų | 135 | 136.9 Ų | 136.9 | 91% | 0.912 | 75% | 0.746 | S | S | * | * | | | trans | -101.9 | 103.2 | 156.8 | -74.7 | 0 | 0 | 0 | 0 | 107.8 | | |
| 200 | V | 32.7 | Very low | 39.5 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 78% | 0.782 | 75% | 0.749 | S | S | * | * | | | trans | -124 | 101.6 | 161.1 | -179.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 201 | R | 40.4 | Very low | 38.5 | Very low | 225 Ų | 225 | 132 Ų | 132 | 85% | 0.849 | 76% | 0.756 | S | S | * | * | | | trans | -9 | 122.4 | 154.2 | -175.6 | -179.5 | 81.3 | 171.6 | 9.2 | 115.3 | | |
| 202 | D | 29.8 | Very low | 37.7 | Very low | 156 Ų | 156 | 132.1 Ų | 132.1 | 83% | 0.834 | 76% | 0.762 | S | S | * | * | | | trans | -140.5 | 152.3 | 135.6 | -153.9 | 8.3 | 0 | 0 | 0 | 111.8 | | |
| 203 | V | 38.1 | Very low | 37.4 | Very low | 132 Ų | 132 | 129.1 Ų | 129.1 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | | | trans | -126.9 | 109.8 | -177 | 168.7 | 0 | 0 | 0 | 0 | 106.9 | | |
| 204 | G | 34.4 | Very low | 36.8 | Very low | 75 Ų | 75 | 130.5 Ų | 130.5 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | trans | -163.9 | 95.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 205 | D | 33.4 | Very low | 36 | Very low | 156 Ų | 156 | 129.8 Ų | 129.8 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | | | trans | -16.1 | 155.1 | 168.9 | -88 | -46.4 | 0 | 0 | 0 | 124 | | |
| 206 | L | 35.6 | Very low | 35.4 | Very low | 140 Ų | 140 | 137 Ų | 137 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | | | trans | 85.7 | 109.9 | 144.1 | -123 | 70.5 | 0 | 0 | 0 | 122.7 | | |
| 207 | R | 32.3 | Very low | 34.8 | Very low | 229 Ų | 229 | 141 Ų | 141 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | | | trans | 42.9 | 120.2 | 138.3 | -65.9 | 174.9 | -172.1 | -130.6 | 2.7 | 120 | | |
| 208 | S | 28 | Very low | 34.1 | Very low | 111 Ų | 111 | 140.6 Ų | 140.6 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | | | | -168.3 | 150.3 | 120.6 | -165.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 209 | F | 28.6 | Very low | 33.7 | Very low | 202 Ų | 202 | 139.6 Ų | 139.6 | 89% | 0.886 | 81% | 0.808 | S | S | * | * | | | trans | -25.2 | 150.8 | 168.7 | -63.5 | -103.2 | 0 | 0 | 0 | 117.2 | | |
| 210 | G | 30.4 | Very low | 33.7 | Very low | 64 Ų | 64 | 140.7 Ų | 140.7 | 66% | 0.66 | 81% | 0.805 | S | S | * | * | | | cis | 126.2 | 121.2 | 10.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 211 | A | 32.1 | Very low | 33.6 | Very low | 92 Ų | 92 | 140 Ų | 140 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | | | trans | 59.3 | 137.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 212 | D | 35.1 | Very low | 33.4 | Very low | 143 Ų | 143 | 137.1 Ų | 137.1 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | | | | -171.4 | 152.8 | 65.2 | -108.1 | -35.8 | 0 | 0 | 0 | 114.3 | | |
| 213 | T | 43.4 | Very low | 33.5 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 76% | 0.761 | 81% | 0.809 | S | S | * | * | | | trans | 63.2 | 69.1 | 152.2 | 61.9 | 0 | 0 | 0 | 0 | 120.7 | A215 | T213-A215 PolarHBondContact O-N 3.03Š|
| 214 | A | 33.9 | Very low | 32.9 | Very low | 114 Ų | 114 | 134.4 Ų | 134.4 | 94% | 0.942 | 80% | 0.801 | S | S | * | * | | | trans | -76.5 | 94.2 | 150.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 215 | A | 34.2 | Very low | 32.6 | Very low | 81 Ų | 81 | 140.3 Ų | 140.3 | 67% | 0.669 | 81% | 0.805 | S | S | * | * | | | trans | -152.7 | 155.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T213 | T213-A215 PolarHBondContact O-N 3.03Š|
| 216 | R | 34.8 | Very low | 32.4 | Very low | 242 Ų | 242 | 138.5 Ų | 138.5 | 91% | 0.913 | 81% | 0.805 | S | S | * | * | | | trans | 80.3 | 74.7 | 171.3 | -51 | -179.7 | 179.6 | -155.2 | -1.5 | 117.7 | | |
| 217 | L | 33.5 | Very low | 32 | Very low | 187 Ų | 187 | 137.1 Ų | 137.1 | 98% | 0.979 | 81% | 0.807 | S | S | * | * | | | trans | -146.1 | 69.3 | 139.9 | -111 | 171.9 | 0 | 0 | 0 | 110.7 | | |
| 218 | A | 30.6 | Very low | 31.9 | Very low | 87 Ų | 87 | 137.6 Ų | 137.6 | 72% | 0.719 | 81% | 0.809 | S | S | * | * | | | trans | -146.7 | 141.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 219 | S | 31.2 | Very low | 31.9 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | | | trans | 63.2 | 128.1 | 177.7 | 69.1 | 0 | 0 | 0 | 0 | 118 | | |
| 220 | N | 35.8 | Very low | 31.9 | Very low | 159 Ų | 159 | 131.5 Ų | 131.5 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | | | | -159 | 132.4 | 109.5 | -95.9 | -27 | 0 | 0 | 0 | 111.3 | | |
| 221 | S | 31 | Very low | 31.7 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | | | trans | -143.1 | 125 | 165.6 | -81.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 222 | L | 35.2 | Very low | 31.4 | Very low | 166 Ų | 166 | 141 Ų | 141 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | | | trans | 69.5 | 156 | 166.1 | -72.8 | 166.7 | 0 | 0 | 0 | 119.9 | | |
| 223 | L | 31.4 | Very low | 31.2 | Very low | 170 Ų | 170 | 140.6 Ų | 140.6 | 89% | 0.89 | 82% | 0.819 | S | S | * | * | | | trans | 72.2 | 143.2 | -179.9 | -50.3 | 170.9 | 0 | 0 | 0 | 114.5 | | |
| 224 | G | 26.4 | Very low | 30.5 | Very low | 61 Ų | 61 | 138.1 Ų | 138.1 | 63% | 0.629 | 82% | 0.819 | S | S | * | * | | | cis | 165.6 | 147.6 | -7.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 225 | F | 28.6 | Very low | 30.1 | Very low | 199 Ų | 199 | 137.6 Ų | 137.6 | 87% | 0.873 | 81% | 0.808 | S | S | * | * | | | trans | 69.2 | 103.9 | 163 | -55.1 | -75.9 | 0 | 0 | 0 | 122.1 | | |
| 226 | S | 28.5 | Very low | 29.9 | Very low | 117 Ų | 117 | 138.7 Ų | 138.7 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | | 59.3 | 162.3 | 108.8 | -146.6 | 0 | 0 | 0 | 0 | 123.8 | | |
| 227 | S | 27.4 | Very low | 29.7 | Very low | 112 Ų | 112 | 134 Ų | 134 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | | | trans | 87.8 | 141.4 | 173.8 | 80.5 | 0 | 0 | 0 | 0 | 117 | | |
| 228 | R | 30.9 | Very low | 29.5 | Very low | 238 Ų | 238 | 133.2 Ų | 133.2 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | | | cis | -170.2 | 151.2 | -8.2 | 151.9 | 176.2 | 175.8 | 169.1 | -2.1 | 113.4 | | |
| 229 | S | 28.3 | Very low | 29.6 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | | | trans | 74.8 | 128.3 | 148.1 | -173.5 | 0 | 0 | 0 | 0 | 124.6 | | |
| 230 | G | 27.1 | Very low | 29.6 | Very low | 73 Ų | 73 | 138.9 Ų | 138.9 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | | | trans | 175.2 | 133.5 | 139.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 231 | S | 26.9 | Very low | 29.2 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | cis | -162.4 | -179.1 | -0.3 | -171.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 232 | R | 26.5 | Very low | 29 | Very low | 236 Ų | 236 | 139 Ų | 139 | 89% | 0.891 | 78% | 0.781 | S | S | * | * | | | trans | 87.5 | 141.2 | 164.8 | -149.5 | 177.9 | -158.4 | 170.5 | 5.9 | 117.8 | | |
| 233 | V | 30.2 | Very low | 28.5 | Very low | 135 Ų | 135 | 139.6 Ų | 139.6 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | cis | -173.6 | 148.7 | -45.4 | 131.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 234 | G | 27.6 | Very low | 28.3 | Very low | 72 Ų | 72 | 134.5 Ų | 134.5 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | | | trans | 97.7 | 144.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 235 | S | 25.9 | Very low | 28.5 | Very low | 103 Ų | 103 | 139.1 Ų | 139.1 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | | | cis | -159.5 | 144.1 | -0.3 | -157 | 0 | 0 | 0 | 0 | 109.2 | | |
| 236 | T | 31 | Very low | 28.6 | Very low | 105 Ų | 105 | 138.1 Ų | 138.1 | 64% | 0.644 | 78% | 0.781 | S | S | * | * | | | trans | 32 | 141.7 | 136.1 | 63.2 | 0 | 0 | 0 | 0 | 120.4 | | |
| 237 | E | 29.4 | Very low | 28.7 | Very low | 143 Ų | 143 | 141.1 Ų | 141.1 | 67% | 0.668 | 78% | 0.782 | S | S | * | * | | | cis | -179.5 | 156.2 | -7.4 | -114.4 | 157.3 | -58.8 | 0 | 0 | 105.6 | | |
| 238 | E | 30.4 | Very low | 28.5 | Very low | 171 Ų | 171 | 144 Ų | 144 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | | | trans | 44.1 | 161.5 | 162.3 | 62.4 | -130.8 | 149.7 | 0 | 0 | 121.4 | | |
| 239 | E | 33.1 | Very low | 28.4 | Very low | 158 Ų | 158 | 141.7 Ų | 141.7 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | | | cis | -156.7 | 174.6 | 17.2 | -144.8 | -162.1 | 166.8 | 0 | 0 | 111.7 | | |
| 240 | E | 30.3 | Very low | 28.5 | Very low | 154 Ų | 154 | 141.6 Ų | 141.6 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | | | trans | 27.4 | 117.9 | 156.9 | -72 | -155.2 | 152.3 | 0 | 0 | 122.8 | | |
| 241 | V | 26.6 | Very low | 28.5 | Very low | 116 Ų | 116 | 140.8 Ų | 140.8 | 70% | 0.703 | 78% | 0.776 | S | S | * | * | | | | 90.2 | 106.6 | 72.5 | 167.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 242 | L | 26.3 | Very low | 28.7 | Very low | 159 Ų | 159 | 143.2 Ų | 143.2 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | trans | 32.7 | 117.3 | 148.9 | -75.2 | 154.9 | 0 | 0 | 0 | 120.5 | | |
| 243 | L | 26.6 | Very low | 28.8 | Very low | 179 Ų | 179 | 139.9 Ų | 139.9 | 94% | 0.937 | 78% | 0.778 | S | S | * | * | | | | -176.1 | 142.7 | 112.1 | -98.1 | 166.9 | 0 | 0 | 0 | 111.3 | | |
| 244 | G | 26.5 | Very low | 28.9 | Very low | 63 Ų | 63 | 137.3 Ų | 137.3 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | | | trans | 108.3 | 95.2 | 157.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 245 | D | 30.1 | Very low | 29.7 | Very low | 158 Ų | 158 | 140 Ų | 140 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | | | trans | 62.3 | 169 | 144.9 | -58.7 | -21.8 | 0 | 0 | 0 | 122.1 | | |
| 246 | E | 31.7 | Very low | 29.9 | Very low | 178 Ų | 178 | 143.6 Ų | 143.6 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | | | trans | 75 | 76.3 | 176.2 | -53.6 | -57.9 | 123.9 | 0 | 0 | 119.1 | | |
| 247 | E | 29.4 | Very low | 29.8 | Very low | 180 Ų | 180 | 148.2 Ų | 148.2 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | | | trans | -165.7 | 109.7 | 143.8 | -122.3 | 179.7 | -148.8 | 0 | 0 | 114.4 | | |
| 248 | F | 24.6 | Very low | 30 | Very low | 173 Ų | 173 | 148.1 Ų | 148.1 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | | | | 173.7 | 144.8 | 122.7 | -112.3 | -137.2 | 0 | 0 | 0 | 114.9 | | |
| 249 | F | 27.9 | Very low | 29.8 | Very low | 188 Ų | 188 | 145.8 Ų | 145.8 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | trans | 63.1 | 92.1 | 163.1 | -90.6 | -106.8 | 0 | 0 | 0 | 119.9 | | |
| 250 | A | 29.7 | Very low | 29.5 | Very low | 111 Ų | 111 | 141.5 Ų | 141.5 | 92% | 0.917 | 78% | 0.78 | S | S | * | * | | | trans | -102.6 | 113.9 | 145.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 251 | G | 27.4 | Very low | 30.1 | Very low | 57 Ų | 57 | 139.9 Ų | 139.9 | 59% | 0.588 | 78% | 0.783 | S | S | * | * | | | trans | -106.2 | -173.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 252 | L | 30.5 | Very low | 30.1 | Very low | 169 Ų | 169 | 142.8 Ų | 142.8 | 89% | 0.885 | 79% | 0.787 | S | S | * | * | | | trans | 76.4 | 131.1 | 173.1 | -48.3 | 176.7 | 0 | 0 | 0 | 113.8 | | |
| 253 | L | 29.5 | Very low | 30.4 | Very low | 166 Ų | 166 | 146 Ų | 146 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | | | cis | -145 | 156.3 | 14.4 | -91.9 | 117.1 | 0 | 0 | 0 | 112.7 | | |
| 254 | A | 33.2 | Very low | 30.5 | Very low | 80 Ų | 80 | 141.3 Ų | 141.3 | 66% | 0.661 | 78% | 0.784 | S | S | * | * | | | trans | -88.4 | 168.3 | 154.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 255 | P | 43 | Very low | 30.7 | Very low | 130 Ų | 130 | 143.5 Ų | 143.5 | 84% | 0.844 | 80% | 0.796 | S | S | * | * | | | | -148.4 | 139.9 | 93.4 | 35.5 | -18.3 | 0 | 0 | 0 | 115.9 | | |
| 256 | L | 30.2 | Very low | 30.5 | Very low | 177 Ų | 177 | 139.4 Ų | 139.4 | 93% | 0.927 | 79% | 0.791 | S | S | * | * | | | trans | -124.1 | 139.9 | 148.1 | -158.8 | 84.1 | 0 | 0 | 0 | 107.7 | | |
| 257 | Y | 30.1 | Very low | 30.5 | Very low | 203 Ų | 203 | 139.8 Ų | 139.8 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | | | trans | -85.7 | 130.8 | -163.9 | -169.5 | -95.6 | 0 | 0 | 0 | 112.9 | | |
| 258 | K | 32.8 | Very low | 30.4 | Very low | 140 Ų | 140 | 134.3 Ų | 134.3 | 61% | 0.609 | 79% | 0.79 | S | S | * | * | | | trans | 18.3 | 145.7 | 141.9 | -85.1 | 177.1 | 139.5 | -83.1 | 0 | 119.7 | | |
| 259 | D | 25.4 | Very low | 30.7 | Very low | 123 Ų | 123 | 134 Ų | 134 | 66% | 0.658 | 80% | 0.796 | S | S | * | * | | | cis | -152.7 | 163.6 | 20.2 | -99.8 | -48.2 | 0 | 0 | 0 | 111.6 | | |
| 260 | G | 28.1 | Very low | 30.7 | Very low | 67 Ų | 67 | 129.6 Ų | 129.6 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | | | trans | -98.8 | -158.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 261 | P | 41.8 | Very low | 30.5 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | | | cis | -143.8 | 173.6 | 10.2 | 43.6 | -24.7 | 0 | 0 | 0 | 118.2 | | |
| 262 | F | 27.5 | Very low | 30.7 | Very low | 177 Ų | 177 | 134 Ų | 134 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | | | trans | 24.7 | 124.7 | 147.3 | -92.3 | -107.4 | 0 | 0 | 0 | 123.5 | | |
| 263 | Y | 32.9 | Very low | 30.6 | Very low | 226 Ų | 226 | 133 Ų | 133 | 89% | 0.886 | 78% | 0.78 | S | S | * | * | | | | 167.2 | 149.2 | 105.5 | -97.8 | -73.7 | 0 | 0 | 0 | 111 | | |
| 264 | G | 28.5 | Very low | 30.7 | Very low | 80 Ų | 80 | 129.7 Ų | 129.7 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | | | trans | 144.2 | 118.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 265 | A | 29.6 | Very low | 30.4 | Very low | 109 Ų | 109 | 133.9 Ų | 133.9 | 90% | 0.901 | 78% | 0.779 | S | S | * | * | | | trans | -93.8 | 171.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 266 | G | 27.1 | Very low | 29.8 | Very low | 72 Ų | 72 | 138.1 Ų | 138.1 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | | | trans | -87.4 | 176.8 | -171 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 267 | L | 31.5 | Very low | 29.8 | Very low | 186 Ų | 186 | 138 Ų | 138 | 97% | 0.974 | 77% | 0.772 | S | S | * | * | | | trans | 169.9 | 147.6 | 167.4 | -93.4 | 156.2 | 0 | 0 | 0 | 105 | | |
| 268 | G | 27.8 | Very low | 29.6 | Very low | 66 Ų | 66 | 136 Ų | 136 | 68% | 0.68 | 77% | 0.77 | S | S | * | * | | | cis | -178.6 | 124.1 | -10 | 0 | 0 | 0 | 0 | 0 | 105.2 | | |
| 269 | L | 30.8 | Very low | 29.2 | Very low | 166 Ų | 166 | 140.5 Ų | 140.5 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | | | | 69.4 | 125.1 | 90.6 | -131.4 | 155.8 | 0 | 0 | 0 | 115.9 | | |
| 270 | S | 27.1 | Very low | 29.4 | Very low | 96 Ų | 96 | 138.4 Ų | 138.4 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | | | trans | 69.6 | 157.5 | 167.9 | -77.9 | 0 | 0 | 0 | 0 | 120.2 | | |
| 271 | Q | 26.6 | Very low | 29.6 | Very low | 169 Ų | 169 | 141.1 Ų | 141.1 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | | | cis | -169.6 | 166.5 | -27.7 | -174.1 | 159.1 | -1.2 | 0 | 0 | 109.7 | | |
| 272 | S | 30.8 | Very low | 29.1 | Very low | 92 Ų | 92 | 142.9 Ų | 142.9 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | | | trans | -36.9 | 174.4 | 170.2 | -30.3 | 0 | 0 | 0 | 0 | 118.1 | | |
| 273 | D | 29 | Very low | 29.3 | Very low | 146 Ų | 146 | 137.9 Ų | 137.9 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | | | cis | -170.3 | -178.3 | 18.5 | -139.5 | -40.7 | 0 | 0 | 0 | 113.1 | | |
| 274 | S | 30 | Very low | 29.2 | Very low | 97 Ų | 97 | 135.5 Ų | 135.5 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | | | trans | 71.8 | 156.1 | 150.8 | -98.4 | 0 | 0 | 0 | 0 | 120.9 | | |
| 275 | M | 28.3 | Very low | 29.3 | Very low | 169 Ų | 169 | 134.6 Ų | 134.6 | 83% | 0.833 | 78% | 0.776 | S | S | * | * | | | cis | -153.6 | -168.3 | -4.9 | -141.8 | -178.2 | 171.3 | 0 | 0 | 113.2 | | |
| 276 | R | 30.3 | Very low | 29.4 | Very low | 218 Ų | 218 | 136.6 Ų | 136.6 | 82% | 0.823 | 77% | 0.767 | S | S | * | * | | | trans | -94.6 | 172.8 | -167.6 | -55.2 | 171.4 | 175.9 | -131.1 | 0.1 | 115.1 | | |
| 277 | H | 29.7 | Very low | 29.7 | Very low | 175 Ų | 175 | 141.6 Ų | 141.6 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | | | | -177.1 | -172 | 128.7 | -92.1 | -61.4 | 0 | 0 | 0 | 109.9 | | |
| 278 | Q | 26.8 | Very low | 29.6 | Very low | 160 Ų | 160 | 136.3 Ų | 136.3 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | | | | -171.1 | 129.3 | -78.3 | 169.9 | 176.6 | -19.7 | 0 | 0 | 112.5 | | |
| 279 | W | 23.8 | Very low | 29.8 | Very low | 235 Ų | 235 | 136.7 Ų | 136.7 | 89% | 0.89 | 76% | 0.763 | S | S | * | * | | | trans | -163.8 | 154.9 | 158 | 175 | -96.9 | 0 | 0 | 0 | 112.8 | | |
| 280 | S | 29.7 | Very low | 30 | Very low | 79 Ų | 79 | 137.8 Ų | 137.8 | 55% | 0.552 | 76% | 0.763 | S | S | * | * | | | trans | -162.1 | 156.7 | -175 | 49.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 281 | V | 32.5 | Very low | 30.3 | Very low | 124 Ų | 124 | 142.6 Ų | 142.6 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | | | trans | 159.8 | 156.6 | 145.7 | 156.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 282 | D | 31.2 | Very low | 30.5 | Very low | 159 Ų | 159 | 139.6 Ų | 139.6 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | | | trans | -70.4 | -179.9 | -153.7 | -57.3 | -82.2 | 0 | 0 | 0 | 124.3 | | |
| 283 | G | 32.3 | Very low | 30.7 | Very low | 71 Ų | 71 | 138.4 Ų | 138.4 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | | | trans | 142.1 | 89.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 284 | D | 29.2 | Very low | 31.1 | Very low | 176 Ų | 176 | 136.9 Ų | 136.9 | 94% | 0.941 | 78% | 0.781 | S | S | * | * | | | | 62.3 | 139.7 | 82.8 | -163 | 30.4 | 0 | 0 | 0 | 117.1 | | |
| 285 | G | 30.3 | Very low | 31.6 | Very low | 61 Ų | 61 | 140 Ų | 140 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | | | trans | 133.1 | 79.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 286 | E | 32.3 | Very low | 31.9 | Very low | 152 Ų | 152 | 137.2 Ų | 137.2 | 71% | 0.71 | 78% | 0.781 | S | S | * | * | | | trans | 50.2 | 130.4 | 141.4 | -69.8 | -100.7 | 88.1 | 0 | 0 | 125.2 | | |
| 287 | K | 33.5 | Very low | 32 | Very low | 176 Ų | 176 | 132.1 Ų | 132.1 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | | | trans | 37.4 | 132.8 | 140.9 | -65 | -173.2 | -172.4 | 80 | 0 | 123.2 | | |
| 288 | G | 29.5 | Very low | 32.4 | Very low | 76 Ų | 76 | 129.4 Ų | 129.4 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | | | trans | 177.8 | 55 | 157.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 289 | G | 32.9 | Very low | 33.1 | Very low | 74 Ų | 74 | 127.2 Ų | 127.2 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | | | trans | -88 | 120.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 290 | H | 33.8 | Very low | 33.9 | Very low | 188 Ų | 188 | 123.7 Ų | 123.7 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | | | trans | -137.2 | 114.5 | 166.5 | -76.4 | -90.4 | 0 | 0 | 0 | 111.6 | | |
| 291 | H | 34.5 | Very low | 34.3 | Very low | 198 Ų | 198 | 125.1 Ų | 125.1 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | | | trans | -80.8 | 136 | 161.9 | -67.8 | -93.4 | 0 | 0 | 0 | 109.7 | | |
| 292 | A | 30.3 | Very low | 34.6 | Very low | 106 Ų | 106 | 122.2 Ų | 122.2 | 88% | 0.876 | 78% | 0.778 | S | S | * | * | | | trans | -172.8 | 150.7 | 148.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 293 | G | 35.1 | Very low | 35 | Very low | 66 Ų | 66 | 124.2 Ų | 124.2 | 68% | 0.68 | 78% | 0.779 | S | S | * | * | | | trans | 93.8 | 67.2 | 141.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | I295 | G293-I295 PolarHBondContact O-N 3.02Š|
| 294 | S | 36.6 | Very low | 35.5 | Very low | 114 Ų | 114 | 126.6 Ų | 126.6 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | | | trans | -61.3 | 126.7 | 149.2 | 173.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 295 | I | 41.4 | Very low | 36.3 | Very low | 162 Ų | 162 | 125.4 Ų | 125.4 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | | | trans | -125.3 | 129.8 | 164.5 | -52.5 | -179.2 | 0 | 0 | 0 | 108.4 | G293 | G293-I295 PolarHBondContact O-N 3.02Š|
| 296 | V | 33.6 | Very low | 36.8 | Very low | 112 Ų | 112 | 128 Ų | 128 | 68% | 0.679 | 78% | 0.778 | S | S | * | * | | | trans | -89.4 | 151.8 | -174.4 | 167.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 297 | S | 32.8 | Very low | 37.1 | Very low | 110 Ų | 110 | 127.3 Ų | 127.3 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | | | trans | 63.2 | 113.1 | 165.5 | -75 | 0 | 0 | 0 | 0 | 117.3 | | |
| 298 | S | 38.9 | Very low | 38 | Very low | 119 Ų | 119 | 125.5 Ų | 125.5 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | | | | -168.4 | 157.6 | 65.1 | 41.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 299 | S | 40.9 | Very low | 39 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | | | cis | -145.7 | 142.5 | 25.3 | 48.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 300 | I | 41.2 | Very low | 40.3 | Very low | 161 Ų | 161 | 134.1 Ų | 134.1 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | | | trans | -78.1 | 125 | 169.3 | -99.1 | 167.2 | 0 | 0 | 0 | 109.1 | A302 | I300-A302 HydrophobicContact CG2-CB 3.87Å; I300-A302 PolarHBondContact O-N 3.43Å |
| 301 | S | 38.7 | Very low | 41 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | | | trans | -89.9 | 81.8 | 170.8 | -173.7 | 0 | 0 | 0 | 0 | 109.2 | F303 | S301-F303 PolarHBondContact O-N 3.46Š|
| 302 | A | 38.8 | Very low | 41.7 | Very low | 64 Ų | 64 | 130.5 Ų | 130.5 | 53% | 0.529 | 78% | 0.776 | S | S | . | * | | | trans | -81.8 | 106.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | I300 T304 | I300-A302 HydrophobicContact CG2-CB 3.87Å; I300-A302 PolarHBondContact O-N 3.43Å; A302-T304 HydrophobicContact CB-CG2 4.3Å; A302-T304 PolarHBondContact O-N 3.18Å |
| 303 | F | 38.3 | Very low | 42.3 | Very low | 201 Ų | 201 | 130.5 Ų | 130.5 | 88% | 0.882 | 77% | 0.769 | S | S | * | * | | | trans | -78.6 | 69.1 | 160.2 | -88.7 | -81.4 | 0 | 0 | 0 | 109.7 | S301 L305 | S301-F303 PolarHBondContact O-N 3.46Å; F303-L305 PolarHBondContact O-N 3.38Å |
| 304 | T | 44.3 | Very low | 42.5 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | | | trans | -73.7 | 111.1 | 164.6 | 47.8 | 0 | 0 | 0 | 0 | 108.7 | A302 | A302-T304 HydrophobicContact CB-CG2 4.3Å; A302-T304 PolarHBondContact O-N 3.18Å |
| 305 | L | 44.7 | Very low | 42.6 | Very low | 151 Ų | 151 | 135.4 Ų | 135.4 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | | | trans | -58 | 143.2 | 160.5 | -65.7 | 173.1 | 0 | 0 | 0 | 108.7 | F303 V307 | F303-L305 PolarHBondContact O-N 3.38Å; L305-V307 PolarHBondContact O-N 3.44Å |
| 306 | P | 40.2 | Very low | 42.4 | Very low | 116 Ų | 116 | 134 Ų | 134 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | | | trans | -64.1 | 111.8 | 179.2 | 25.4 | -32.9 | 0 | 0 | 0 | 109.9 | I308 | P306-I308 PolarHBondContact O-N 3.06Š|
| 307 | V | 40.5 | Very low | 42.8 | Very low | 137 Ų | 137 | 136.8 Ų | 136.8 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | | | trans | -68.1 | 101.9 | 173.4 | 178.9 | 0 | 0 | 0 | 0 | 108.1 | L305 K309 | L305-V307 PolarHBondContact O-N 3.44Å; V307-K309 PolarHBondContact O-N 3.34Å |
| 308 | I | 50.6 | Low | 43.3 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | | | trans | -68.1 | 106.1 | 170 | -61.7 | 175.4 | 0 | 0 | 0 | 106.9 | P306 L310 | P306-I308 PolarHBondContact O-N 3.06Å; I308-L310 HydrophobicContact CG2-CD2 4Å; I308-L310 HydrophobicContact CG2-CG 4.41Å; I308-L310 PolarHBondContact O-N 3.07Å |
| 309 | K | 51.8 | Low | 43 | Very low | 184 Ų | 184 | 139.8 Ų | 139.8 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | | | trans | -72.9 | 90.9 | 176.2 | -174.6 | 174.8 | -178.9 | 175 | 0 | 109.3 | V307 | V307-K309 PolarHBondContact O-N 3.34Š|
| 310 | L | 59.1 | Low | 42.9 | Very low | 146 Ų | 146 | 143.4 Ų | 143.4 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | | | trans | -70.5 | 135.2 | 167.1 | -62.3 | 179.9 | 0 | 0 | 0 | 109.1 | I308 | I308-L310 HydrophobicContact CG2-CD2 4Å; I308-L310 HydrophobicContact CG2-CG 4.41Å; I308-L310 PolarHBondContact O-N 3.07Å |
| 311 | N | 49.4 | Very low | 42.7 | Very low | 138 Ų | 138 | 144.2 Ų | 144.2 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | | | trans | -72.1 | 131.9 | 176 | -72.5 | -41.5 | 0 | 0 | 0 | 109.8 | C313 | N311-C313 PolarHBondContact O-N 2.99Å; N311-C313 VanDerWaalsContact O-N 3.13Å |
| 312 | N | 47.9 | Very low | 42.6 | Very low | 173 Ų | 173 | 143.6 Ų | 143.6 | 93% | 0.925 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 17.9 | 78.2 | 163.7 | -79 | -7.9 | 0 | 0 | 0 | 116.3 | | |
| 313 | C | 43.9 | Very low | 42.6 | Very low | 106 Ų | 106 | 148.3 Ų | 148.3 | 72% | 0.716 | 80% | 0.796 | S | S | * | * | | | trans | -122.2 | 124 | 156.2 | -64 | 0 | 0 | 0 | 0 | 107.7 | N311 I315 | N311-C313 PolarHBondContact O-N 2.99Å; N311-C313 VanDerWaalsContact O-N 3.13Å; C313-I315 PolarHBondContact O-N 3.16Å |
| 314 | V | 38.4 | Very low | 42.4 | Very low | 123 Ų | 123 | 144.8 Ų | 144.8 | 75% | 0.745 | 79% | 0.79 | S | S | * | * | | | trans | -58.4 | 131.4 | 165 | 169.3 | 0 | 0 | 0 | 0 | 107.2 | | |
| 315 | I | 39.3 | Very low | 42 | Very low | 160 Ų | 160 | 143.6 Ų | 143.6 | 82% | 0.821 | 79% | 0.793 | S | S | * | * | | | trans | -99.1 | 93.5 | 171.9 | -58.9 | 175.8 | 0 | 0 | 0 | 105.7 | C313 | C313-I315 PolarHBondContact O-N 3.16Š|
| 316 | D | 37.7 | Very low | 41.5 | Very low | 133 Ų | 133 | 141.8 Ų | 141.8 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | | | trans | -70.3 | 153.5 | 163.1 | -65.9 | -45.7 | 0 | 0 | 0 | 109.4 | | |
| 317 | E | 41.8 | Very low | 41.2 | Very low | 170 Ų | 170 | 145.1 Ų | 145.1 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | | | trans | -67.1 | 143.8 | -172.2 | -61.8 | -173.8 | 116.1 | 0 | 0 | 112.7 | E319 | E317-E319 VanDerWaalsContact C-N 3.34Å; E317-E319 PolarHBondContact O-N 3.16Å; E317-E319 VanDerWaalsContact O-N 3.1Å |
| 318 | P | 43.7 | Very low | 40.7 | Very low | 128 Ų | 128 | 143.8 Ų | 143.8 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | | | trans | -78.5 | 87.8 | 161 | 31.9 | -30.8 | 0 | 0 | 0 | 109.4 | M320 | P318-M320 PolarHBondContact O-N 3.48Š|
| 319 | E | 31.4 | Very low | 39.6 | Very low | 164 Ų | 164 | 142 Ų | 142 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | | | trans | -57.9 | 131.7 | 168.9 | -60.5 | -175.7 | -116.6 | 0 | 0 | 110.4 | E317 E321 | E317-E319 VanDerWaalsContact C-N 3.34Å; E317-E319 PolarHBondContact O-N 3.16Å; E317-E319 VanDerWaalsContact O-N 3.1Å; E319-E321 PolarHBondContact O-N 3.44Å; E319-E321 VanDerWaalsContact O-N 3.16Å |
| 320 | M | 39.7 | Very low | 38.9 | Very low | 188 Ų | 188 | 141 Ų | 141 | 93% | 0.926 | 80% | 0.797 | S | S | * | * | | | trans | -87.9 | 80.9 | -176.9 | -178.1 | 170.8 | 56.4 | 0 | 0 | 110.4 | P318 A322 | P318-M320 PolarHBondContact O-N 3.48Å; M320-A322 PolarHBondContact O-N 3.48Å |
| 321 | E | 36.7 | Very low | 37.5 | Very low | 179 Ų | 179 | 142 Ų | 142 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 128.8 | 177 | -70.2 | -154.1 | 155.9 | 0 | 0 | 112.8 | E319 | E319-E321 PolarHBondContact O-N 3.44Å; E319-E321 VanDerWaalsContact O-N 3.16Å |
| 322 | A | 35.6 | Very low | 36.5 | Very low | 95 Ų | 95 | 139.4 Ų | 139.4 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 155.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | M320 T324 | M320-A322 PolarHBondContact O-N 3.48Å; A322-T324 PolarHBondContact O-N 2.68Å |
| 323 | I | 40.5 | Very low | 35.7 | Very low | 164 Ų | 164 | 139.6 Ų | 139.6 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 129.9 | 177.5 | -57.2 | 152.6 | 0 | 0 | 0 | 112 | | |
| 324 | T | 33 | Very low | 35 | Very low | 126 Ų | 126 | 140.2 Ų | 140.2 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | trans | -151.4 | 123.2 | 145.7 | -66.9 | 0 | 0 | 0 | 0 | 110.7 | A322 | A322-T324 PolarHBondContact O-N 2.68Š|
| 325 | A | 35.9 | Very low | 34.7 | Very low | 95 Ų | 95 | 139.9 Ų | 139.9 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | trans | -102.4 | 132.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 326 | P | 33.9 | Very low | 35 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | | | trans | -115.7 | 141.1 | 164.7 | 34.9 | -25.2 | 0 | 0 | 0 | 112.7 | | |
| 327 | L | 35.3 | Very low | 34.6 | Very low | 186 Ų | 186 | 137.7 Ų | 137.7 | 97% | 0.974 | 79% | 0.79 | S | S | * | * | | | trans | -83.4 | 132.6 | 164.3 | -73.1 | 162.9 | 0 | 0 | 0 | 109.7 | | |
| 328 | S | 29.6 | Very low | 34 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | | | trans | -160.1 | 117.5 | 165.4 | 173.4 | 0 | 0 | 0 | 0 | 105.7 | | |
| 329 | S | 27.6 | Very low | 33.4 | Very low | 102 Ų | 102 | 133.7 Ų | 133.7 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | | | cis | 79.8 | 85.5 | 34.2 | -163.7 | 0 | 0 | 0 | 0 | 115.4 | | |
| 330 | M | 36.2 | Very low | 33.5 | Very low | 163 Ų | 163 | 133 Ų | 133 | 80% | 0.803 | 80% | 0.797 | S | S | * | * | | | trans | 54.4 | 123.9 | 150.9 | -53.6 | -110.1 | 70.9 | 0 | 0 | 118.6 | | |
| 331 | E | 30 | Very low | 33.1 | Very low | 167 Ų | 167 | 128.1 Ų | 128.1 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | | | | 168.9 | 142.4 | 100.8 | -171.2 | 75.2 | 161.9 | 0 | 0 | 111.3 | | |
| 332 | S | 28.3 | Very low | 32.8 | Very low | 83 Ų | 83 | 129 Ų | 129 | 58% | 0.58 | 79% | 0.787 | S | S | * | * | | | trans | 2.6 | 130.3 | 158 | -167.5 | 0 | 0 | 0 | 0 | 121.5 | | |
| 333 | L | 31.6 | Very low | 32.6 | Very low | 178 Ų | 178 | 129.3 Ų | 129.3 | 93% | 0.932 | 79% | 0.79 | S | S | * | * | | | | -142.2 | 142.6 | 126 | -89.5 | -176.9 | 0 | 0 | 0 | 110.1 | | |
| 334 | V | 28.8 | Very low | 32.3 | Very low | 119 Ų | 119 | 127.3 Ų | 127.3 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | | | trans | -146.6 | 159.4 | -166.4 | 81.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 335 | V | 32.5 | Very low | 32.5 | Very low | 116 Ų | 116 | 130.6 Ų | 130.6 | 70% | 0.703 | 79% | 0.794 | S | S | * | * | | | trans | 71.2 | 156.3 | 168.7 | 168.6 | 0 | 0 | 0 | 0 | 113.8 | V337 | V335-V337 HydrophobicContact CG1-CG2 4.23Š|
| 336 | P | 44.8 | Very low | 33.6 | Very low | 122 Ų | 122 | 131 Ų | 131 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | | | cis | -118.2 | -167.6 | 4.4 | 11.9 | 15.2 | 0 | 0 | 0 | 114.7 | | |
| 337 | V | 29.1 | Very low | 34.1 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | | | cis | -170.6 | 139 | -43.4 | 143 | 0 | 0 | 0 | 0 | 107.7 | V335 | V335-V337 HydrophobicContact CG1-CG2 4.23Š|
| 338 | A | 30.6 | Very low | 33.9 | Very low | 106 Ų | 106 | 126 Ų | 126 | 88% | 0.876 | 78% | 0.778 | S | S | * | * | | | trans | -153.5 | 142.1 | 154.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 339 | S | 30.2 | Very low | 34.1 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | | | trans | -133.2 | 162.4 | -170.5 | 61.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 340 | V | 33.5 | Very low | 34.1 | Very low | 150 Ų | 150 | 132 Ų | 132 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | | | trans | -172.3 | 154.4 | 142.5 | 139.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 341 | A | 32 | Very low | 34 | Very low | 85 Ų | 85 | 135.9 Ų | 135.9 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | | | trans | -79.1 | -176.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 342 | K | 30.5 | Very low | 34 | Very low | 198 Ų | 198 | 131.6 Ų | 131.6 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | | | cis | -172.3 | 152.6 | 28.9 | -156.8 | 175 | -173.2 | 176.2 | 0 | 112.7 | | |
| 343 | A | 30 | Very low | 34.2 | Very low | 101 Ų | 101 | 134.7 Ų | 134.7 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | | | trans | 63.9 | 148.5 | 160.8 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 344 | S | 34.7 | Very low | 34.2 | Very low | 122 Ų | 122 | 131.2 Ų | 131.2 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | | | cis | -139.8 | -171.8 | 2.1 | 59 | 0 | 0 | 0 | 0 | 112.1 | | |
| 345 | K | 36.8 | Very low | 34.3 | Very low | 195 Ų | 195 | 129.9 Ų | 129.9 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | | | trans | -126.5 | -174.1 | -159.6 | -131.3 | -166 | 175.2 | 174.7 | 0 | 114.1 | | |
| 346 | P | 58.7 | Low | 34.3 | Very low | 103 Ų | 103 | 129.4 Ų | 129.4 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | | | | -117.7 | -165.2 | -126.6 | 44.4 | -24.4 | 0 | 0 | 0 | 113.6 | | |
| 347 | P | 46.1 | Very low | 33.5 | Very low | 131 Ų | 131 | 128.6 Ų | 128.6 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | | | | -142.4 | -176.7 | 78.1 | 30.3 | -8 | 0 | 0 | 0 | 113 | | |
| 348 | G | 31.4 | Very low | 33.6 | Very low | 63 Ų | 63 | 127.6 Ų | 127.6 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | | | cis | 152.9 | 144.1 | -6.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 349 | L | 32.2 | Very low | 33.7 | Very low | 167 Ų | 167 | 127.5 Ų | 127.5 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | | | trans | 63.5 | 124 | 175.3 | -67.8 | 113.8 | 0 | 0 | 0 | 117.2 | | |
| 350 | Q | 28.2 | Very low | 33.8 | Very low | 172 Ų | 172 | 133.6 Ų | 133.6 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | | 57.1 | 114 | 56.8 | -74.5 | -155.6 | -4.9 | 0 | 0 | 116.2 | | |
| 351 | R | 33.7 | Very low | 33.5 | Very low | 243 Ų | 243 | 132.3 Ų | 132.3 | 92% | 0.917 | 78% | 0.777 | S | S | * | * | | | | -155.8 | 142.1 | 119 | -144.2 | 167.4 | -172 | -94.1 | 3.6 | 112.5 | | |
| 352 | S | 31.3 | Very low | 33.5 | Very low | 77 Ų | 77 | 133.3 Ų | 133.3 | 54% | 0.538 | 78% | 0.78 | S | S | . | * | | | trans | -107.3 | 178.5 | -177.3 | -45 | 0 | 0 | 0 | 0 | 111.7 | | |
| 353 | N | 32.2 | Very low | 33.7 | Very low | 149 Ų | 149 | 129.1 Ų | 129.1 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | | | trans | 78.3 | 151.3 | 159.9 | -53 | -7.7 | 0 | 0 | 0 | 116.8 | | |
| 354 | S | 31.6 | Very low | 33.8 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | cis | -171.4 | 151.1 | -21.9 | -93.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 355 | A | 31.2 | Very low | 33.7 | Very low | 92 Ų | 92 | 131.2 Ų | 131.2 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | | | trans | 63.5 | 129.6 | 142 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 356 | S | 30.6 | Very low | 33.5 | Very low | 106 Ų | 106 | 126.5 Ų | 126.5 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | | | trans | 82.5 | 99.9 | 133.9 | -60.5 | 0 | 0 | 0 | 0 | 123 | | |
| 357 | S | 29.4 | Very low | 32.2 | Very low | 105 Ų | 105 | 127.6 Ų | 127.6 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | | | | 30 | 128.5 | 120.2 | 61.5 | 0 | 0 | 0 | 0 | 119.9 | | |
| 358 | S | 31.5 | Very low | 31.4 | Very low | 102 Ų | 102 | 125.8 Ų | 125.8 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | | | | 172 | 161.1 | 68.3 | 52.3 | 0 | 0 | 0 | 0 | 114 | | |
| 359 | S | 32.9 | Very low | 31.4 | Very low | 105 Ų | 105 | 130.7 Ų | 130.7 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | | | trans | 66.3 | 136.4 | 162.7 | 76.1 | 0 | 0 | 0 | 0 | 117.7 | | |
| 360 | R | 31.1 | Very low | 31.3 | Very low | 235 Ų | 235 | 127.8 Ų | 127.8 | 89% | 0.887 | 76% | 0.755 | S | S | * | * | | | | -163 | 160.7 | 66.4 | -80.8 | 171.2 | 168.7 | -177.7 | -7 | 112.7 | | |
| 361 | C | 27.3 | Very low | 32.5 | Very low | 123 Ų | 123 | 125.6 Ų | 125.6 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | | | trans | -70 | 177.1 | 164.8 | -39.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 362 | S | 32.7 | Very low | 32.4 | Very low | 107 Ų | 107 | 118.3 Ų | 118.3 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | | | cis | -173.8 | 152.1 | 16.1 | 37.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 363 | S | 34.8 | Very low | 33.3 | Very low | 110 Ų | 110 | 120 Ų | 120 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | | | trans | 171.7 | 127.9 | 145.4 | -78.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 364 | F | 31.3 | Very low | 33.3 | Very low | 189 Ų | 189 | 118 Ų | 118 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | | | | 51.4 | 131.1 | 83.9 | 174.7 | -76.4 | 0 | 0 | 0 | 112.1 | | |
| 365 | S | 33.3 | Very low | 33.5 | Very low | 78 Ų | 78 | 118.1 Ų | 118.1 | 55% | 0.545 | 76% | 0.755 | S | S | . | * | | | cis | -177 | 178.8 | -8.8 | -101 | 0 | 0 | 0 | 0 | 107.8 | | |
| 366 | S | 32.1 | Very low | 33.7 | Very low | 95 Ų | 95 | 119.5 Ų | 119.5 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | | | cis | -179.4 | 160.2 | -32.2 | -81.3 | 0 | 0 | 0 | 0 | 106.9 | | |
| 367 | C | 30.7 | Very low | 34 | Very low | 127 Ų | 127 | 119.5 Ų | 119.5 | 86% | 0.858 | 75% | 0.754 | S | S | * | * | | | trans | 66.1 | 158.7 | 175.6 | -64 | 0 | 0 | 0 | 0 | 115.3 | | |
| 368 | S | 29.8 | Very low | 34.1 | Very low | 92 Ų | 92 | 117.8 Ų | 117.8 | 64% | 0.643 | 75% | 0.753 | S | S | * | * | | | cis | -174.8 | 155.9 | -18.9 | 52.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 369 | L | 32.3 | Very low | 34.3 | Very low | 166 Ų | 166 | 118.1 Ų | 118.1 | 87% | 0.869 | 75% | 0.754 | S | S | * | * | | | trans | 78.2 | 147.5 | 150.4 | -69.2 | 157.1 | 0 | 0 | 0 | 121.5 | | |
| 370 | S | 29.6 | Very low | 34.3 | Very low | 106 Ų | 106 | 123 Ų | 123 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | | | trans | -80.7 | -160.7 | -175.5 | -31.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 371 | P | 52.7 | Low | 34.5 | Very low | 127 Ų | 127 | 119 Ų | 119 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | | | cis | -139 | -162.9 | 3.6 | 36.5 | -11.8 | 0 | 0 | 0 | 116.6 | | |
| 372 | A | 32 | Very low | 35.3 | Very low | 89 Ų | 89 | 118.8 Ų | 118.8 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | | | trans | -70.2 | -162.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 373 | P | 51.4 | Low | 35.9 | Very low | 112 Ų | 112 | 120 Ų | 120 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | cis | -150.6 | -167.5 | 30.5 | 41.4 | -16.6 | 0 | 0 | 0 | 119 | | |
| 374 | S | 31.8 | Very low | 35.6 | Very low | 107 Ų | 107 | 118.3 Ų | 118.3 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | | | trans | 85.7 | 142.7 | 154.9 | -56.3 | 0 | 0 | 0 | 0 | 118.3 | | |
| 375 | S | 35 | Very low | 36 | Very low | 107 Ų | 107 | 114.5 Ų | 114.5 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | | | cis | -163.3 | 176.4 | 2.3 | -128.4 | 0 | 0 | 0 | 0 | 114.6 | | |
| 376 | T | 36 | Very low | 35.9 | Very low | 121 Ų | 121 | 115 Ų | 115 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | | | trans | 82.3 | 131.3 | 154 | -153.5 | 0 | 0 | 0 | 0 | 122.7 | | |
| 377 | S | 36.9 | Very low | 36.2 | Very low | 106 Ų | 106 | 122.1 Ų | 122.1 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | | | trans | 39.5 | 130.5 | 148.5 | 57.1 | 0 | 0 | 0 | 0 | 119.8 | | |
| 378 | G | 32 | Very low | 36.3 | Very low | 70 Ų | 70 | 121.5 Ų | 121.5 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | | | cis | 143.1 | 108.4 | 17.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 379 | C | 35.4 | Very low | 36.8 | Very low | 108 Ų | 108 | 124.2 Ų | 124.2 | 73% | 0.73 | 79% | 0.786 | S | S | * | * | | | trans | 61.6 | 155 | 144.9 | -141.9 | 0 | 0 | 0 | 0 | 121.8 | | |
| 380 | W | 31.6 | Very low | 36.9 | Very low | 209 Ų | 209 | 125.9 Ų | 125.9 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | | | trans | 84.6 | 94.7 | 167.2 | -53 | 105.6 | 0 | 0 | 0 | 119.9 | | |
| 381 | L | 36.2 | Very low | 37.1 | Very low | 149 Ų | 149 | 123.5 Ų | 123.5 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | | | | 41.4 | 137.3 | 125.2 | -56.6 | -177.4 | 0 | 0 | 0 | 121.9 | | |
| 382 | S | 44.8 | Very low | 36.7 | Very low | 120 Ų | 120 | 122.3 Ų | 122.3 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | | | trans | -64.1 | 147.6 | 172.2 | -44.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 383 | P | 44.7 | Very low | 37.5 | Very low | 132 Ų | 132 | 125.3 Ų | 125.3 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | | | trans | -122.3 | 170 | 131.4 | 12.4 | 9.1 | 0 | 0 | 0 | 109.4 | | |
| 384 | G | 28.7 | Very low | 36.8 | Very low | 74 Ų | 74 | 125.5 Ų | 125.5 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | | | cis | 165.8 | 168.6 | 11.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 385 | A | 39.2 | Very low | 37.4 | Very low | 110 Ų | 110 | 124.7 Ų | 124.7 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | | | trans | -78.9 | 148.6 | -166.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 386 | A | 31.5 | Very low | 37.5 | Very low | 89 Ų | 89 | 126.6 Ų | 126.6 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | | | trans | -172.9 | 136.7 | 146.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 387 | R | 37.9 | Very low | 37.5 | Very low | 243 Ų | 243 | 127.3 Ų | 127.3 | 92% | 0.917 | 77% | 0.772 | S | S | * | * | | | cis | 55.1 | 88.3 | 43.7 | -68.7 | -162.2 | 74.7 | -131.1 | 0.7 | 115 | | |
| 388 | S | 32.5 | Very low | 37.3 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | | | trans | -170.8 | 130.1 | 130.9 | -166.1 | 0 | 0 | 0 | 0 | 111 | | |
| 389 | D | 41.2 | Very low | 37.7 | Very low | 149 Ų | 149 | 132.1 Ų | 132.1 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | | | trans | -69.3 | 156.3 | 158.4 | -51.9 | -84.5 | 0 | 0 | 0 | 110.2 | | |
| 390 | F | 34.4 | Very low | 37.7 | Very low | 201 Ų | 201 | 133 Ų | 133 | 88% | 0.882 | 77% | 0.766 | S | S | * | * | | | trans | -152.3 | 112.5 | 146.5 | -138 | -89.3 | 0 | 0 | 0 | 109.6 | | |
| 391 | G | 33.8 | Very low | 37.7 | Very low | 56 Ų | 56 | 126.9 Ų | 126.9 | 58% | 0.577 | 76% | 0.756 | S | S | * | * | | | trans | -108.1 | 153.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 392 | S | 44.1 | Very low | 37.6 | Very low | 103 Ų | 103 | 128 Ų | 128 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | | | trans | -174.1 | 153.9 | 153.3 | -82.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 393 | N | 48.9 | Very low | 37 | Very low | 151 Ų | 151 | 127 Ų | 127 | 81% | 0.807 | 75% | 0.75 | S | S | * | * | | | cis | 177.6 | 124.8 | -34 | -96.3 | -19.1 | 0 | 0 | 0 | 106.4 | | |
| 394 | S | 37.3 | Very low | 36.6 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | | | trans | 176.4 | 143.7 | 157.5 | -179.3 | 0 | 0 | 0 | 0 | 111 | | |
| 395 | S | 43.5 | Very low | 36.9 | Very low | 89 Ų | 89 | 129.3 Ų | 129.3 | 62% | 0.622 | 74% | 0.737 | S | S | * | * | | | cis | -171.6 | -176.1 | -36.1 | 53.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 396 | L | 36.6 | Very low | 36.7 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 78% | 0.775 | 74% | 0.736 | S | S | * | * | | | trans | 79.9 | 129.7 | 179.3 | -44.6 | -169.9 | 0 | 0 | 0 | 114.8 | | |
| 397 | H | 35.3 | Very low | 36.7 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 63% | 0.63 | 74% | 0.739 | S | S | * | * | | | cis | -153.9 | 137.6 | -2.4 | -133 | -80.6 | 0 | 0 | 0 | 110.8 | | |
| 398 | M | 33 | Very low | 36.5 | Very low | 144 Ų | 144 | 130.8 Ų | 130.8 | 71% | 0.709 | 73% | 0.734 | S | S | * | * | | | trans | 31.5 | 147.8 | 143.5 | -65.7 | -169.8 | -20.9 | 0 | 0 | 122.1 | | |
| 399 | L | 41.4 | Very low | 36.7 | Very low | 132 Ų | 132 | 132 Ų | 132 | 69% | 0.691 | 73% | 0.732 | S | S | * | * | | | cis | -171.1 | 167.5 | -2.1 | -96.2 | 164.2 | 0 | 0 | 0 | 104.3 | | |
| 400 | N | 34.7 | Very low | 36.5 | Very low | 126 Ų | 126 | 132 Ų | 132 | 67% | 0.674 | 73% | 0.731 | S | S | * | * | | | cis | -156.3 | 159.9 | 7.9 | -142.7 | -12.5 | 0 | 0 | 0 | 110.9 | | |
| 401 | S | 31 | Very low | 36.4 | Very low | 82 Ų | 82 | 129 Ų | 129 | 57% | 0.573 | 72% | 0.719 | S | S | * | * | | | trans | 16 | 149.1 | 144 | 54.8 | 0 | 0 | 0 | 0 | 122.4 | | |
| 402 | H | 36 | Very low | 36.2 | Very low | 171 Ų | 171 | 136.2 Ų | 136.2 | 79% | 0.792 | 73% | 0.729 | S | S | * | * | | | cis | -169.4 | 165.2 | 14.4 | -130.3 | 49 | 0 | 0 | 0 | 112.1 | | |
| 403 | S | 32.1 | Very low | 35.7 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | | | trans | 26.8 | 148.8 | 144.9 | 62.5 | 0 | 0 | 0 | 0 | 122.7 | | |
| 404 | H | 36.4 | Very low | 35.6 | Very low | 179 Ų | 179 | 133.7 Ų | 133.7 | 83% | 0.829 | 73% | 0.731 | S | S | * | * | | | cis | -171.5 | -173.9 | -3.6 | 176.5 | -103.9 | 0 | 0 | 0 | 109.3 | | |
| 405 | S | 33.2 | Very low | 35.3 | Very low | 74 Ų | 74 | 133.5 Ų | 133.5 | 52% | 0.517 | 73% | 0.73 | S | S | . | * | | | trans | -76.8 | 156.5 | -162.8 | -42.5 | 0 | 0 | 0 | 0 | 119.8 | | |
| 406 | K | 35.5 | Very low | 34.6 | Very low | 204 Ų | 204 | 135.1 Ų | 135.1 | 89% | 0.887 | 74% | 0.736 | S | S | * | * | | | trans | 54.4 | 127.2 | 140.3 | -73.1 | 176 | 176.7 | 176.9 | 0 | 122.3 | | |
| 407 | S | 32.2 | Very low | 34.3 | Very low | 113 Ų | 113 | 136 Ų | 136 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | | | | -167.9 | 152 | 126.9 | 48.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 408 | L | 33.9 | Very low | 34.1 | Very low | 157 Ų | 157 | 135.3 Ų | 135.3 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | | | trans | 11.8 | 130.6 | 152.2 | -62.3 | 163.4 | 0 | 0 | 0 | 119.3 | | |
| 409 | D | 36.4 | Very low | 33.9 | Very low | 139 Ų | 139 | 134.9 Ų | 134.9 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | | | | 75.6 | 152.3 | 63.9 | -166.3 | 32.4 | 0 | 0 | 0 | 114.4 | | |
| 410 | L | 37.2 | Very low | 33.1 | Very low | 150 Ų | 150 | 138.6 Ų | 138.6 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | | | trans | 92.5 | 98.7 | -177 | -55.3 | 179.3 | 0 | 0 | 0 | 118.2 | | |
| 411 | E | 31.3 | Very low | 32.9 | Very low | 136 Ų | 136 | 137.8 Ų | 137.8 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | | | | 51.9 | 138.7 | 117.7 | -119.3 | -149.6 | 179.5 | 0 | 0 | 123.4 | | |
| 412 | R | 30 | Very low | 32.9 | Very low | 208 Ų | 208 | 142.6 Ų | 142.6 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | | | trans | 64.5 | 103.6 | 133.3 | -175.2 | 175.4 | -86.8 | 147.6 | -5.7 | 119.3 | | |
| 413 | G | 34.6 | Very low | 32.6 | Very low | 69 Ų | 69 | 139.7 Ų | 139.7 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | | | | 115.3 | 165.7 | 123.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 414 | P | 46.7 | Very low | 32.5 | Very low | 133 Ų | 133 | 147.1 Ų | 147.1 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | | | trans | -108.3 | 141.8 | -164.2 | 38.1 | -29.8 | 0 | 0 | 0 | 114.7 | | |
| 415 | S | 29.9 | Very low | 32.3 | Very low | 113 Ų | 113 | 146.2 Ų | 146.2 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | | | trans | -167.9 | 109 | 158 | -164.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 416 | V | 29.9 | Very low | 32.3 | Very low | 122 Ų | 122 | 151.3 Ų | 151.3 | 74% | 0.739 | 79% | 0.787 | S | S | * | * | | | | 68.6 | 109.6 | 95.6 | -175.6 | 0 | 0 | 0 | 0 | 116.3 | | |
| 417 | L | 29.5 | Very low | 32.7 | Very low | 166 Ų | 166 | 147 Ų | 147 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | | | trans | 52.3 | 121.3 | 151.7 | -67.4 | 165.7 | 0 | 0 | 0 | 122 | | |
| 418 | S | 31.6 | Very low | 33 | Very low | 123 Ų | 123 | 145.8 Ų | 145.8 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | | | | -155 | 170.8 | 126.9 | 69.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 419 | V | 27.5 | Very low | 33 | Very low | 135 Ų | 135 | 150 Ų | 150 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | | | trans | -79.6 | 126.1 | -150 | 172.7 | 0 | 0 | 0 | 0 | 116.5 | | |
| 420 | R | 26 | Very low | 33.1 | Very low | 210 Ų | 210 | 149.5 Ų | 149.5 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | | | trans | 19.1 | 126 | 135.2 | -175 | -175.7 | -174.5 | 131.5 | 0.3 | 120.4 | | |
| 421 | S | 29.9 | Very low | 32.8 | Very low | 108 Ų | 108 | 153.7 Ų | 153.7 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | | | trans | -146.2 | 161.9 | 138 | 62.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 422 | E | 30 | Very low | 32.9 | Very low | 183 Ų | 183 | 155.4 Ų | 155.4 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | | | trans | 64 | 148 | 174.4 | -128.7 | 54.3 | -128.1 | 0 | 0 | 120.6 | | |
| 423 | Q | 30.3 | Very low | 33 | Very low | 110 Ų | 110 | 153 Ų | 153 | 51% | 0.514 | 80% | 0.801 | S | S | . | * | | | trans | -143.5 | 111.8 | -156.2 | 178.5 | -177.4 | -89.4 | 0 | 0 | 112.3 | K425 | Q423-K425 VanDerWaalsContact CD-CE 3.48Å; Q423-K425 HydrophobicContact CG-CD 4.34Å; Q423-K425 HydrophobicContact CG-CG 4.01Å |
| 424 | R | 29.7 | Very low | 32.8 | Very low | 258 Ų | 258 | 160.3 Ų | 160.3 | 97% | 0.974 | 81% | 0.808 | S | S | * | * | | | trans | -123.1 | 119.2 | 159.1 | -75.9 | -165.1 | 177.1 | -153.7 | 0.5 | 110.4 | | |
| 425 | K | 32 | Very low | 32 | Very low | 160 Ų | 160 | 159 Ų | 159 | 70% | 0.696 | 80% | 0.801 | S | S | * | * | | | trans | -99 | 125.6 | -169.1 | -73.5 | 171.9 | 171 | 169.8 | 0 | 112.3 | Q423 | Q423-K425 VanDerWaalsContact CD-CE 3.48Å; Q423-K425 HydrophobicContact CG-CD 4.34Å; Q423-K425 HydrophobicContact CG-CG 4.01Å |
| 426 | H | 34.8 | Very low | 32.1 | Very low | 180 Ų | 180 | 161 Ų | 161 | 83% | 0.833 | 80% | 0.803 | S | S | * | * | | | | -98.6 | 176.7 | 127.7 | -42.4 | -68.2 | 0 | 0 | 0 | 106.5 | | |
| 427 | P | 42.5 | Very low | 32.2 | Very low | 113 Ų | 113 | 160.3 Ų | 160.3 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | | | cis | -138.8 | -166 | -2.1 | 34.1 | -10.3 | 0 | 0 | 0 | 114.2 | | |
| 428 | S | 38.5 | Very low | 32.2 | Very low | 89 Ų | 89 | 157.3 Ų | 157.3 | 62% | 0.622 | 80% | 0.797 | S | S | * | * | | | trans | 72.4 | 119.4 | 138.2 | 59.3 | 0 | 0 | 0 | 0 | 124.3 | | |
| 429 | W | 34.3 | Very low | 32.4 | Very low | 245 Ų | 245 | 163.4 Ų | 163.4 | 93% | 0.928 | 80% | 0.801 | S | S | * | * | | | trans | 55.6 | 125.4 | 138.7 | -64.3 | 69.5 | 0 | 0 | 0 | 120.8 | | |
| 430 | P | 39.1 | Very low | 32.7 | Very low | 128 Ų | 128 | 162.2 Ų | 162.2 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 118 | 169.9 | 32.1 | -29.5 | 0 | 0 | 0 | 111.7 | | |
| 431 | R | 30.2 | Very low | 33 | Very low | 238 Ų | 238 | 161.3 Ų | 161.3 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -83 | 136 | 160.1 | -93.3 | -179.2 | 154.7 | 85.8 | -2.2 | 109.3 | D433 | R431-D433 PolarHBondContact O-N 3.37Š|
| 432 | L | 34.4 | Very low | 33.2 | Very low | 172 Ų | 172 | 162.2 Ų | 162.2 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 116.1 | 171.6 | -177.9 | 75.6 | 0 | 0 | 0 | 108.5 | | |
| 433 | D | 31.8 | Very low | 33.3 | Very low | 157 Ų | 157 | 156.9 Ų | 156.9 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | | | trans | -125.9 | 151 | 167.1 | -118 | -41.2 | 0 | 0 | 0 | 111.6 | R431 | R431-D433 PolarHBondContact O-N 3.37Š|
| 434 | R | 30.9 | Very low | 33.4 | Very low | 224 Ų | 224 | 158.9 Ų | 158.9 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | | | trans | -118.1 | 142.6 | -153.9 | -155.2 | -176.6 | -165.1 | -139.5 | 8.1 | 110.8 | | |
| 435 | S | 30 | Very low | 33.7 | Very low | 104 Ų | 104 | 158 Ų | 158 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | | | trans | 108.2 | 121 | 148.2 | -41.4 | 0 | 0 | 0 | 0 | 118.8 | | |
| 436 | N | 31 | Very low | 33.8 | Very low | 155 Ų | 155 | 154.1 Ų | 154.1 | 83% | 0.829 | 82% | 0.82 | S | S | * | * | | | trans | 80.2 | 105.6 | 131.4 | -164.4 | 24.2 | 0 | 0 | 0 | 120.5 | | |
| 437 | S | 31.6 | Very low | 33.9 | Very low | 108 Ų | 108 | 151.5 Ų | 151.5 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | | | trans | -141.7 | 126.4 | 134.2 | 52.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 438 | S | 31 | Very low | 33.7 | Very low | 103 Ų | 103 | 151.3 Ų | 151.3 | 72% | 0.72 | 82% | 0.823 | S | S | * | * | | | trans | 53.6 | 114.4 | 148.4 | 53.4 | 0 | 0 | 0 | 0 | 121.7 | | |
| 439 | R | 35 | Very low | 33.9 | Very low | 252 Ų | 252 | 156.7 Ų | 156.7 | 95% | 0.951 | 84% | 0.835 | S | S | * | * | | | trans | -74.4 | 139.3 | 156.7 | -65.8 | 168 | 165.9 | 175.1 | -6.3 | 111.9 | | |
| 440 | S | 34.1 | Very low | 33.9 | Very low | 109 Ų | 109 | 148.6 Ų | 148.6 | 76% | 0.762 | 83% | 0.828 | S | S | * | * | | | trans | -163.9 | 106.3 | 146.5 | 46.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 441 | H | 30.9 | Very low | 33.6 | Very low | 191 Ų | 191 | 154 Ų | 154 | 88% | 0.884 | 83% | 0.833 | S | S | * | * | | | | 87.2 | 142.5 | 87.7 | -122.4 | 69.8 | 0 | 0 | 0 | 114.7 | | |
| 442 | S | 34.9 | Very low | 34 | Very low | 127 Ų | 127 | 148.9 Ų | 148.9 | 89% | 0.888 | 83% | 0.828 | S | S | * | * | | | trans | 68.9 | 146.6 | -166.6 | 80.4 | 0 | 0 | 0 | 0 | 115.5 | | |
| 443 | G | 31.7 | Very low | 34.1 | Very low | 72 Ų | 72 | 150.3 Ų | 150.3 | 74% | 0.742 | 82% | 0.822 | S | S | * | * | | | cis | -176.3 | 117.5 | -7 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 444 | N | 32.8 | Very low | 34.5 | Very low | 152 Ų | 152 | 150.6 Ų | 150.6 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | | | trans | 8.5 | 114.3 | 155 | -167.7 | 25.5 | 0 | 0 | 0 | 121 | | |
| 445 | R | 36.7 | Very low | 35 | Very low | 239 Ų | 239 | 146.1 Ų | 146.1 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | | | | -178.8 | 133.9 | 123.6 | -103.1 | 177.1 | -175.5 | -127.2 | 0.4 | 111.1 | | |
| 446 | G | 33 | Very low | 35.4 | Very low | 79 Ų | 79 | 149 Ų | 149 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | | | trans | -96.7 | 173 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 447 | S | 37.6 | Very low | 36 | Very low | 124 Ų | 124 | 151.3 Ų | 151.3 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | | | trans | -160.2 | 133.9 | 145.9 | -166.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 448 | S | 38.8 | Very low | 36.8 | Very low | 109 Ų | 109 | 155 Ų | 155 | 76% | 0.762 | 82% | 0.821 | S | S | * | * | | | trans | -75.4 | 137.7 | 174.2 | 50.8 | 0 | 0 | 0 | 0 | 112 | | |
| 449 | K | 41.6 | Very low | 37.4 | Very low | 203 Ų | 203 | 159.8 Ų | 159.8 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | | | trans | -149.8 | 118.1 | 151.1 | -121 | 170.2 | -177.8 | 177.9 | 0 | 110.2 | | |
| 450 | G | 35.4 | Very low | 37.6 | Very low | 74 Ų | 74 | 155 Ų | 155 | 76% | 0.763 | 82% | 0.821 | S | S | * | * | | | trans | -80.8 | 160.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 451 | Y | 32.5 | Very low | 37.9 | Very low | 241 Ų | 241 | 154 Ų | 154 | 95% | 0.945 | 82% | 0.818 | S | S | * | * | | | trans | -98.6 | 111.2 | 170.5 | -78.6 | -89.7 | 0 | 0 | 0 | 109.8 | | |
| 452 | T | 39.1 | Very low | 38.3 | Very low | 131 Ų | 131 | 154 Ų | 154 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | | | trans | -78.7 | 128.9 | 167.3 | 41.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 453 | R | 36 | Very low | 38.7 | Very low | 203 Ų | 203 | 159.2 Ų | 159.2 | 77% | 0.766 | 82% | 0.819 | S | S | * | * | | | trans | -69.1 | 131.8 | 172 | 177.8 | 178.8 | 176.8 | 163.9 | 0.1 | 109.6 | E455 | R453-E455 IonicContact CZ-OE2 3.18Å; R453-E455 IonicContact NE-OE1 2.72Å; R453-E455 IonicContact NE-OE2 2.76Å; R453-E455 PolarHBondContact NE-OE2 3.13Å; R453-E455 IonicContact NH2-OE1 2.68Å; R453-E455 PolarHBondContact NH2-OE1 3.1Å; R453-E455 IonicContact NH2-OE2 2.66Å; R453-E455 PolarHBondContact NH2-OE2 3.45Å |
| 454 | L | 39.9 | Very low | 38.9 | Very low | 163 Ų | 163 | 163.6 Ų | 163.6 | 85% | 0.853 | 83% | 0.825 | S | S | * | * | | | trans | -119.7 | 114.7 | 169.6 | -83.4 | 167.3 | 0 | 0 | 0 | 108.4 | | |
| 455 | E | 41.2 | Very low | 39.1 | Very low | 129 Ų | 129 | 165 Ų | 165 | 60% | 0.603 | 83% | 0.831 | S | S | * | * | | | trans | -125.1 | 162.3 | 162.5 | -74.9 | 168.4 | 147.9 | 0 | 0 | 106.7 | R453 | R453-E455 IonicContact CZ-OE2 3.18Å; R453-E455 IonicContact NE-OE1 2.72Å; R453-E455 IonicContact NE-OE2 2.76Å; R453-E455 PolarHBondContact NE-OE2 3.13Å; R453-E455 IonicContact NH2-OE1 2.68Å; R453-E455 PolarHBondContact NH2-OE1 3.1Å; R453-E455 IonicContact NH2-OE2 2.66Å; R453-E455 PolarHBondContact NH2-OE2 3.45Å |
| 456 | D | 38 | Very low | 39.1 | Very low | 164 Ų | 164 | 161.1 Ų | 161.1 | 88% | 0.877 | 83% | 0.828 | S | S | * | * | | | trans | 65.2 | 84.8 | 177.2 | -60.1 | -16.4 | 0 | 0 | 0 | 118.9 | | |
| 457 | R | 44.3 | Very low | 39.4 | Very low | 205 Ų | 205 | 166 Ų | 166 | 77% | 0.774 | 83% | 0.829 | S | S | * | * | | | trans | -162.2 | 60.4 | 146.7 | -159 | 177.4 | 147.4 | 85 | 3.1 | 115.1 | | |
| 458 | E | 49.3 | Very low | 39.3 | Very low | 185 Ų | 185 | 166.1 Ų | 166.1 | 86% | 0.864 | 83% | 0.831 | S | S | * | * | | | trans | -120.9 | -8.4 | 170.9 | -72.6 | -170.6 | 157.5 | 0 | 0 | 115.7 | Q460 | E458-Q460 VanDerWaalsContact C-N 3.25Å; E458-Q460 PolarHBondContact O-N 2.86Å; E458-Q460 VanDerWaalsContact O-N 3.16Å |
| 459 | E | 43.4 | Very low | 39 | Very low | 203 Ų | 203 | 165.9 Ų | 165.9 | 95% | 0.949 | 84% | 0.835 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | 20.7 | 178 | -66.4 | -165.1 | 144.6 | 0 | 0 | 115.3 | | |
| 460 | Q | 38 | Very low | 38.6 | Very low | 153 Ų | 153 | 161 Ų | 161 | 72% | 0.715 | 83% | 0.827 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.5 | 26.5 | -174.8 | -149.2 | 168.8 | 70 | 0 | 0 | 114.7 | E458 | E458-Q460 VanDerWaalsContact C-N 3.25Å; E458-Q460 PolarHBondContact O-N 2.86Å; E458-Q460 VanDerWaalsContact O-N 3.16Å |
| 461 | A | 41.7 | Very low | 38.7 | Very low | 86 Ų | 86 | 163.9 Ų | 163.9 | 71% | 0.711 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -107.1 | -14.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | R463 | A461-R463 PolarHBondContact O-N 3.25Š|
| 462 | E | 39.5 | Very low | 38.9 | Very low | 192 Ų | 192 | 158.4 Ų | 158.4 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | 26.6 | -173.8 | -61.4 | -161.8 | 146.8 | 0 | 0 | 115.1 | | |
| 463 | R | 41.9 | Very low | 39 | Very low | 237 Ų | 237 | 157.4 Ų | 157.4 | 89% | 0.894 | 81% | 0.813 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.6 | 14.3 | -178 | -79.4 | -169.9 | 178.5 | 153.7 | 3.2 | 116.4 | A461 | A461-R463 PolarHBondContact O-N 3.25Š|
| 464 | L | 36.7 | Very low | 39.5 | Very low | 164 Ų | 164 | 159 Ų | 159 | 86% | 0.859 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -136.6 | 27.9 | -176.9 | -76.4 | 176.1 | 0 | 0 | 0 | 114.9 | | |
| 465 | L | 37.4 | Very low | 40.4 | Very low | 181 Ų | 181 | 158.8 Ų | 158.8 | 95% | 0.948 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -136.6 | 38.6 | 170.5 | -72.8 | 178.2 | 0 | 0 | 0 | 112.4 | | |
| 466 | D | 34.9 | Very low | 40.7 | Very low | 158 Ų | 158 | 160.5 Ų | 160.5 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | | | trans | -126.6 | 68.4 | 175.2 | -150.2 | 15.5 | 0 | 0 | 0 | 109.3 | | |
| 467 | E | 39.5 | Very low | 42.3 | Very low | 180 Ų | 180 | 157.4 Ų | 157.4 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -162.7 | 72.4 | 168.7 | -169.5 | 77.2 | 145.8 | 0 | 0 | 110.6 | | |
| 468 | S | 36.9 | Very low | 43.9 | Very low | 128 Ų | 128 | 151.2 Ų | 151.2 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | | | trans | 168.7 | 67.9 | 154.6 | 42.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 469 | A | 31.8 | Very low | 45.1 | Very low | 103 Ų | 103 | 151.2 Ų | 151.2 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | | | trans | -147.2 | 139.7 | 159.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 470 | S | 32.3 | Very low | 46.4 | Very low | 102 Ų | 102 | 151.1 Ų | 151.1 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | | | trans | -71.1 | 157.4 | -177.5 | 46.2 | 0 | 0 | 0 | 0 | 112.9 | T472 | S470-T472 PolarHBondContact O-N 3.08Å; S470-T472 VanDerWaalsContact O-N 3.17Å |
| 471 | P | 38.6 | Very low | 48 | Very low | 134 Ų | 134 | 148 Ų | 148 | 87% | 0.87 | 76% | 0.759 | S | S | * | * | | | trans | -73.3 | 114.1 | -169.1 | 29 | -35 | 0 | 0 | 0 | 111.6 | | |
| 472 | T | 36.5 | Very low | 49.7 | Very low | 125 Ų | 125 | 149.2 Ų | 149.2 | 77% | 0.767 | 75% | 0.748 | S | S | * | * | | | trans | -112.4 | 127.4 | 161.9 | 47.6 | 0 | 0 | 0 | 0 | 109.9 | S470 R474 | S470-T472 PolarHBondContact O-N 3.08Å; S470-T472 VanDerWaalsContact O-N 3.17Å; T472-R474 PolarHBondContact O-N 3.3Å |
| 473 | D | 41.8 | Very low | 51 | Low | 110 Ų | 110 | 145.8 Ų | 145.8 | 59% | 0.588 | 74% | 0.735 | S | S | * | * | | | trans | -46 | 101 | -173.8 | -174.2 | 10.9 | 0 | 0 | 0 | 113.6 | R475 | D473-R475 VanDerWaalsContact C-N 3.32Å; D473-R475 PolarHBondContact O-N 3.01Å; D473-R475 IonicContact OD2-CZ 3.37Å; D473-R475 IonicContact OD2-NE 2.74Å; D473-R475 PolarHBondContact OD2-NE 3.18Å; D473-R475 IonicContact OD2-NH2 3.11Å; D473-R475 PolarHBondContact OD2-NH2 3.44Å |
| 474 | R | 45.2 | Very low | 52.2 | Low | 238 Ų | 238 | 139.4 Ų | 139.4 | 90% | 0.898 | 72% | 0.719 | S | S | * | * | | | trans | -74.1 | 82.8 | 174.7 | -85.5 | -169 | 173.6 | 163 | 2.5 | 110.3 | T472 | T472-R474 PolarHBondContact O-N 3.3Š|
| 475 | R | 59.3 | Low | 53.9 | Low | 158 Ų | 158 | 136.9 Ų | 136.9 | 60% | 0.596 | 70% | 0.703 | S | S | * | * | | | trans | -76.1 | 126.8 | 170.4 | -64.2 | -174.3 | -170 | 167.7 | 10.2 | 111.5 | D473 Y477 | D473-R475 VanDerWaalsContact C-N 3.32Å; D473-R475 PolarHBondContact O-N 3.01Å; D473-R475 IonicContact OD2-CZ 3.37Å; D473-R475 IonicContact OD2-NE 2.74Å; D473-R475 PolarHBondContact OD2-NE 3.18Å; D473-R475 IonicContact OD2-NH2 3.11Å; D473-R475 PolarHBondContact OD2-NH2 3.44Å; R475-Y477 HydrophobicContact CB-CD1 4.46Å; R475-Y477 HydrophobicContact CB-CE1 4.06Å; R475-Y477 PolarHBondContact O-N 3.45Å |
| 476 | D | 48.4 | Very low | 55.1 | Low | 164 Ų | 164 | 132.8 Ų | 132.8 | 88% | 0.877 | 68% | 0.682 | S | S | * | * | | | trans | -73.1 | 86.2 | 172.8 | -83.4 | -46.2 | 0 | 0 | 0 | 111.6 | S478 | D476-S478 PolarHBondContact O-N 3.4Š|
| 477 | Y | 71.5 | Confident | 56 | Low | 100 Ų | 100 | 129.4 Ų | 129.4 | 39% | 0.392 | 67% | 0.67 | S | S | . | * | | | trans | -63.8 | 127.9 | 177 | -61.4 | -57.9 | 0 | 0 | 0 | 112.2 | R475 E481 K482 M485 | R475-Y477 HydrophobicContact CB-CD1 4.46Å; R475-Y477 HydrophobicContact CB-CE1 4.06Å; R475-Y477 PolarHBondContact O-N 3.45Å; Y477-E481 HydrophobicContact CD1-CG 4.09Å; Y477-E481 WeakPolarHBondContact CD1-OE1 3.33Å; Y477-E481 WeakPolarHBondContact CD1-OE2 3.44Å; Y477-K482 WeakPolarHBondContact O-CE 3.45Å; Y477-M485 HydrophobicContact CD2-SD 4.36Å |
| 478 | S | 77.1 | Confident | 56.7 | Low | 75 Ų | 75 | 130.9 Ų | 130.9 | 52% | 0.524 | 67% | 0.668 | S | S | . | * | | | trans | -63 | 155.4 | -179.6 | 178.5 | 0 | 0 | 0 | 0 | 111.8 | D476 R480 E481 K482 | D476-S478 PolarHBondContact O-N 3.4Å; S478-R480 PolarHBondContact O-N 3.26Å; S478-R480 VanDerWaalsContact O-N 3.08Å; S478-E481 PolarHBondContact N-OE2 2.98Å; S478-E481 WeakPolarHBondContact O-CA 3.48Å; S478-E481 WeakPolarHBondContact O-CB 3.47Å; S478-E481 PolarHBondContact O-N 3.16Å; S478-K482 PolarHBondContact O-N 3.39Å |
| 479 | K | 73.8 | Confident | 57.5 | Low | 184 Ų | 184 | 128.3 Ų | 128.3 | 80% | 0.8 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -54.4 | -32 | 177.6 | -73.6 | -179.3 | 178.6 | 174.4 | 0 | 112.9 | L483 | K479-L483 PolarHBondContact O-N 3.13Å |
| 480 | R | 71.9 | Confident | 58.5 | Low | 202 Ų | 202 | 130.3 Ų | 130.3 | 76% | 0.762 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -69.3 | -32.4 | 175.4 | -173.8 | 177.4 | -179.3 | -175.1 | -0.5 | 112.8 | S478 L484 | S478-R480 PolarHBondContact O-N 3.26Å; S478-R480 VanDerWaalsContact O-N 3.08Å; R480-L484 PolarHBondContact O-N 3.45Å |
| 481 | E | 71.7 | Confident | 59.3 | Low | 86 Ų | 86 | 131.6 Ų | 131.6 | 40% | 0.402 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -82.2 | -40.1 | -177.6 | -170 | 169.1 | -162.8 | 0 | 0 | 111.5 | Y477 S478 L483 L484 M485 | Y477-E481 HydrophobicContact CD1-CG 4.09Å; Y477-E481 WeakPolarHBondContact CD1-OE1 3.33Å; Y477-E481 WeakPolarHBondContact CD1-OE2 3.44Å; S478-E481 PolarHBondContact N-OE2 2.98Å; S478-E481 WeakPolarHBondContact O-CA 3.48Å; S478-E481 WeakPolarHBondContact O-CB 3.47Å; S478-E481 PolarHBondContact O-N 3.16Å; E481-L483 VanDerWaalsContact C-N 3.26Å; E481-L483 PolarHBondContact O-N 2.96Å; E481-L484 WeakPolarHBondContact O-CA 3.19Å; E481-L484 WeakPolarHBondContact O-CB 3.42Å; E481-L484 PolarHBondContact O-N 3.38Å; E481-M485 PolarHBondContact O-N 3.28Å |
| 482 | K | 76.9 | Confident | 59.5 | Low | 112 Ų | 112 | 132.3 Ų | 132.3 | 49% | 0.487 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -57.5 | -39 | 169.2 | -68.3 | 179.4 | 175.4 | 172 | 0 | 111.8 | Y477 S478 M485 I486 | Y477-K482 WeakPolarHBondContact O-CE 3.45Å; S478-K482 PolarHBondContact O-N 3.39Å; K482-M485 PolarHBondContact O-N 2.74Å; K482-I486 WeakPolarHBondContact O-CD1 3.46Å; K482-I486 WeakPolarHBondContact O-CG1 3.36Å; K482-I486 PolarHBondContact O-N 2.98Å |
| 483 | L | 67.6 | Low | 59.9 | Low | 121 Ų | 121 | 135 Ų | 135 | 63% | 0.634 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -64.2 | -37.6 | 171.8 | -90.3 | 160.5 | 0 | 0 | 0 | 113.3 | K479 E481 S487 | K479-L483 PolarHBondContact O-N 3.13Å; E481-L483 VanDerWaalsContact C-N 3.26Å; E481-L483 PolarHBondContact O-N 2.96Å; L483-S487 WeakPolarHBondContact O-CB 3.38Å; L483-S487 PolarHBondContact O-N 2.76Å |
| 484 | L | 66.6 | Low | 60 | Low | 103 Ų | 103 | 133.6 Ų | 133.6 | 54% | 0.539 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -70.4 | -35.3 | 176.3 | -79.4 | 163.1 | 0 | 0 | 0 | 112.7 | R480 E481 S487 R488 | R480-L484 PolarHBondContact O-N 3.45Å; E481-L484 WeakPolarHBondContact O-CA 3.19Å; E481-L484 WeakPolarHBondContact O-CB 3.42Å; E481-L484 PolarHBondContact O-N 3.38Å; L484-S487 PolarHBondContact O-N 2.72Å; L484-R488 PolarHBondContact O-N 3.41Å |
| 485 | M | 71.4 | Confident | 59.9 | Low | 110 Ų | 110 | 131.9 Ų | 131.9 | 54% | 0.542 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -62.3 | -47.2 | 172.8 | -70.4 | 174 | 63.7 | 0 | 0 | 111.3 | Y477 E481 K482 S487 R488 S489 | Y477-M485 HydrophobicContact CD2-SD 4.36Å; E481-M485 PolarHBondContact O-N 3.28Å; K482-M485 PolarHBondContact O-N 2.74Å; M485-S487 VanDerWaalsContact C-N 3.33Å; M485-S487 PolarHBondContact O-N 2.94Å; M485-R488 PolarHBondContact O-N 3.34Å; M485-R488 VanDerWaalsContact O-N 3.13Å; M485-S489 PolarHBondContact O-N 2.91Å |
| 486 | I | 62.5 | Low | 59.2 | Low | 96 Ų | 96 | 133.7 Ų | 133.7 | 49% | 0.492 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -63.3 | -39.5 | 176.6 | -62.6 | 162.5 | 0 | 0 | 0 | 110.9 | K482 R488 S489 H490 | K482-I486 WeakPolarHBondContact O-CD1 3.46Å; K482-I486 WeakPolarHBondContact O-CG1 3.36Å; K482-I486 PolarHBondContact O-N 2.98Å; I486-R488 PolarHBondContact O-N 3.06Å; I486-R488 VanDerWaalsContact O-N 3.16Å; I486-S489 PolarHBondContact O-N 2.95Å; I486-S489 PolarHBondContact O-OG 3.16Å; I486-H490 PolarHBondContact O-CD2 3.46Å |
| 487 | S | 54.8 | Low | 58.9 | Low | 86 Ų | 86 | 134.9 Ų | 134.9 | 60% | 0.601 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -12.2 | 177.3 | -167.9 | 0 | 0 | 0 | 0 | 114.2 | L483 L484 M485 | L483-S487 WeakPolarHBondContact O-CB 3.38Å; L483-S487 PolarHBondContact O-N 2.76Å; L484-S487 PolarHBondContact O-N 2.72Å; M485-S487 VanDerWaalsContact C-N 3.33Å; M485-S487 PolarHBondContact O-N 2.94Å |
| 488 | R | 54.4 | Low | 57.7 | Low | 211 Ų | 211 | 138 Ų | 138 | 80% | 0.796 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | -17 | 175.7 | -78.7 | -178.6 | 170.4 | 172.9 | -3 | 114 | L484 M485 I486 H490 | L484-R488 PolarHBondContact O-N 3.41Å; M485-R488 PolarHBondContact O-N 3.34Å; M485-R488 VanDerWaalsContact O-N 3.13Å; I486-R488 PolarHBondContact O-N 3.06Å; I486-R488 VanDerWaalsContact O-N 3.16Å; R488-H490 VanDerWaalsContact C-N 3.33Å; R488-H490 PolarHBondContact O-N 3.39Å |
| 489 | S | 53.4 | Low | 56.1 | Low | 74 Ų | 74 | 143.4 Ų | 143.4 | 52% | 0.517 | 70% | 0.697 | S | S | . | * | S | Bend | trans | -82.2 | -2.3 | -178.7 | 51.6 | 0 | 0 | 0 | 0 | 115.2 | M485 I486 | M485-S489 PolarHBondContact O-N 2.91Å; I486-S489 PolarHBondContact O-N 2.95Å; I486-S489 PolarHBondContact O-OG 3.16Å |
| 490 | H | 53.3 | Low | 54.6 | Low | 145 Ų | 145 | 144.3 Ų | 144.3 | 67% | 0.671 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -112.7 | 37.4 | -174.8 | -59.7 | -59.3 | 0 | 0 | 0 | 113.8 | I486 R488 | I486-H490 PolarHBondContact O-CD2 3.46Å; R488-H490 VanDerWaalsContact C-N 3.33Å; R488-H490 PolarHBondContact O-N 3.39Å |
| 491 | N | 49.6 | Very low | 53.1 | Low | 129 Ų | 129 | 143 Ų | 143 | 69% | 0.69 | 71% | 0.709 | S | S | * | * | | | trans | -140.9 | 32.9 | -178 | -106.6 | -25.3 | 0 | 0 | 0 | 114.5 | | |
| 492 | N | 41.4 | Very low | 51.5 | Low | 150 Ų | 150 | 144.5 Ų | 144.5 | 80% | 0.802 | 73% | 0.73 | S | S | * | * | | | trans | -117.9 | 47.3 | 174.8 | -76.7 | -43.1 | 0 | 0 | 0 | 112.5 | | |
| 493 | L | 45.6 | Very low | 49.6 | Very low | 181 Ų | 181 | 144.4 Ų | 144.4 | 95% | 0.948 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -140.4 | 46.5 | 169.6 | -83.5 | -179.2 | 0 | 0 | 0 | 111.9 | | |
| 494 | S | 43 | Very low | 48.2 | Very low | 81 Ų | 81 | 145.4 Ų | 145.4 | 57% | 0.566 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -152.4 | 140.5 | 165.5 | 58.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 495 | F | 44.2 | Very low | 47 | Very low | 202 Ų | 202 | 149.3 Ų | 149.3 | 89% | 0.886 | 78% | 0.775 | S | S | * | * | | | trans | 77.9 | 75.3 | -178.2 | -58.8 | -81.3 | 0 | 0 | 0 | 116.8 | | |
| 496 | E | 43.6 | Very low | 45.6 | Very low | 195 Ų | 195 | 153.7 Ų | 153.7 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | | | trans | -133.3 | 78.9 | 143.3 | -158.7 | -175.8 | 135.4 | 0 | 0 | 109.5 | | |
| 497 | K | 43.1 | Very low | 44.4 | Very low | 190 Ų | 190 | 161.1 Ų | 161.1 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -177.4 | 83.4 | 165.6 | -111.7 | 172.1 | -177.3 | 170.2 | 0 | 109 | | |
| 498 | D | 45.8 | Very low | 43.6 | Very low | 166 Ų | 166 | 160.3 Ų | 160.3 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | S | Bend | trans | 173.4 | 63.8 | 149.9 | -91.6 | -19.4 | 0 | 0 | 0 | 110.5 | | |
| 499 | E | 44.5 | Very low | 42.8 | Very low | 188 Ų | 188 | 156 Ų | 156 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | | | trans | -157.5 | 56.9 | 169.9 | -131.2 | 167.7 | -143.7 | 0 | 0 | 113.9 | | |
| 500 | F | 41.1 | Very low | 42.4 | Very low | 203 Ų | 203 | 158.1 Ų | 158.1 | 89% | 0.89 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -154 | 57.3 | 164.2 | -125.7 | -75.8 | 0 | 0 | 0 | 114 | | |
| 501 | N | 40 | Very low | 41.6 | Very low | 173 Ų | 173 | 160 Ų | 160 | 93% | 0.925 | 84% | 0.844 | S | S | * | * | | | trans | -156.6 | 55.8 | 170.1 | -104.9 | -40.1 | 0 | 0 | 0 | 113.8 | | |
| 502 | S | 38.4 | Very low | 41.6 | Very low | 119 Ų | 119 | 160.6 Ų | 160.6 | 83% | 0.832 | 85% | 0.852 | S | S | * | * | | | trans | -151.3 | 59.5 | 174.3 | 66 | 0 | 0 | 0 | 0 | 115.5 | | |
| 503 | S | 36.5 | Very low | 41.4 | Very low | 110 Ų | 110 | 163.9 Ų | 163.9 | 77% | 0.769 | 85% | 0.853 | S | S | * | * | | | trans | -175.6 | 110.5 | 149.6 | 50.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 504 | T | 38.2 | Very low | 40.9 | Very low | 141 Ų | 141 | 168.8 Ų | 168.8 | 87% | 0.865 | 87% | 0.867 | S | S | * | * | | | | -162.1 | 87.8 | 89.2 | 27.3 | 0 | 0 | 0 | 0 | 110.4 | K506 | T504-K506 PolarHBondContact O-N 3.17Š|
| 505 | L | 41.3 | Very low | 40.8 | Very low | 185 Ų | 185 | 173.2 Ų | 173.2 | 97% | 0.969 | 88% | 0.882 | S | S | * | * | | | trans | -76.5 | 115.6 | 165.8 | -77.9 | 171.3 | 0 | 0 | 0 | 109.4 | | |
| 506 | K | 43.3 | Very low | 40.6 | Very low | 202 Ų | 202 | 171.6 Ų | 171.6 | 88% | 0.878 | 88% | 0.882 | S | S | * | * | | | trans | -143.7 | 135.9 | 168.8 | -155.3 | 175.9 | -175.2 | 175.8 | 0 | 108.2 | T504 | T504-K506 PolarHBondContact O-N 3.17Š|
| 507 | R | 37.5 | Very low | 40.5 | Very low | 253 Ų | 253 | 170.3 Ų | 170.3 | 96% | 0.955 | 88% | 0.881 | S | S | * | * | | | trans | 78.4 | 124.7 | -169 | -169.6 | -174.6 | -78.7 | 170.2 | -8.3 | 112.7 | | |
| 508 | G | 37.1 | Very low | 40.3 | Very low | 68 Ų | 68 | 169.2 Ų | 169.2 | 70% | 0.701 | 88% | 0.884 | S | S | * | * | | | cis | 174.1 | 151.7 | -7.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 509 | S | 38.6 | Very low | 39.9 | Very low | 121 Ų | 121 | 169.4 Ų | 169.4 | 85% | 0.846 | 88% | 0.884 | S | S | * | * | | | trans | 23 | 123 | 164.7 | -54.2 | 0 | 0 | 0 | 0 | 120.9 | | |
| 510 | S | 44.3 | Very low | 39.6 | Very low | 119 Ų | 119 | 168.1 Ų | 168.1 | 83% | 0.832 | 88% | 0.884 | S | S | * | * | | | | -175.9 | 111.6 | 94.7 | 42.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 511 | E | 35.8 | Very low | 39.5 | Very low | 184 Ų | 184 | 165.6 Ų | 165.6 | 86% | 0.86 | 88% | 0.884 | S | S | * | * | | | trans | -134.2 | 120.8 | 150.6 | -174.8 | 172.3 | -175.6 | 0 | 0 | 107.2 | | |
| 512 | T | 49.2 | Very low | 39.5 | Very low | 141 Ų | 141 | 165.1 Ų | 165.1 | 87% | 0.865 | 88% | 0.88 | S | S | * | * | | | trans | -134.1 | 110.3 | 172.3 | 48.9 | 0 | 0 | 0 | 0 | 107.9 | | |
| 513 | R | 37.6 | Very low | 39.6 | Very low | 219 Ų | 219 | 168.9 Ų | 168.9 | 83% | 0.826 | 88% | 0.884 | S | S | * | * | | | trans | -135.8 | 92.6 | 165.7 | -175.6 | -178.9 | -169.9 | 146.7 | 4.4 | 108.7 | | |
| 514 | F | 35.8 | Very low | 39.9 | Very low | 284 Ų | 284 | 174.3 Ų | 174.3 | 100% | 1.246 | 90% | 0.895 | S | S | * | * | | | trans | -160.5 | 0 | 137.5 | -89.2 | -62.6 | 0 | 0 | 0 | 107.8 | | |