| 1 | M | 35.5 | Very low | 32.5 | Very low | 222 Ų | 222 | 163.7 Ų | 163.7 | 100% | 1.094 | 80% | 0.798 | S | S | * | * | | | | 0 | 87.2 | 0 | -66.4 | 156.4 | 175.2 | 0 | 0 | 106.3 | | |
| 2 | N | 29.3 | Very low | 32.4 | Very low | 133 Ų | 133 | 156.4 Ų | 156.4 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | | | cis | 59.6 | 139.1 | 23.3 | -45.5 | 48.8 | 0 | 0 | 0 | 111.1 | | |
| 3 | S | 33.2 | Very low | 32.8 | Very low | 102 Ų | 102 | 152.3 Ų | 152.3 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | | | cis | -132.3 | 160.7 | 18 | -60.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 4 | Q | 33.8 | Very low | 33 | Very low | 181 Ų | 181 | 155.1 Ų | 155.1 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | | | | 50.9 | 141.8 | 63.3 | -87.3 | -177.3 | -27.3 | 0 | 0 | 113.6 | | |
| 5 | S | 32.9 | Very low | 32.8 | Very low | 89 Ų | 89 | 159.1 Ų | 159.1 | 62% | 0.622 | 81% | 0.808 | S | S | * | * | | | cis | -166.4 | 157.1 | -10.4 | -171.6 | 0 | 0 | 0 | 0 | 106.8 | | |
| 6 | Q | 35.2 | Very low | 33 | Very low | 174 Ų | 174 | 161.6 Ų | 161.6 | 81% | 0.813 | 82% | 0.815 | S | S | * | * | | | | 168.8 | 135.4 | 91.1 | -77.4 | 169.7 | -0.3 | 0 | 0 | 104.5 | | |
| 7 | Y | 28.1 | Very low | 32.9 | Very low | 195 Ų | 195 | 158.8 Ų | 158.8 | 77% | 0.765 | 81% | 0.808 | S | S | * | * | | | | 64.6 | 107.6 | 54.2 | -94 | -75.9 | 0 | 0 | 0 | 117.1 | M9 | Y7-M9 HydrophobicContact CD1-CG 4.22Å; Y7-M9 HydrophobicContact CE1-CG 4.43Å |
| 8 | F | 31.2 | Very low | 33.1 | Very low | 196 Ų | 196 | 158.7 Ų | 158.7 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | | | trans | -133.1 | 145.6 | 151.2 | -110.1 | -90.3 | 0 | 0 | 0 | 107.9 | | |
| 9 | M | 30.2 | Very low | 33.2 | Very low | 138 Ų | 138 | 158.3 Ų | 158.3 | 68% | 0.68 | 81% | 0.809 | S | S | * | * | | | trans | -128.2 | 152.3 | 177.6 | -65.1 | -172.1 | -63.6 | 0 | 0 | 109.8 | Y7 | Y7-M9 HydrophobicContact CD1-CG 4.22Å; Y7-M9 HydrophobicContact CE1-CG 4.43Å |
| 10 | F | 32.8 | Very low | 33.1 | Very low | 198 Ų | 198 | 157 Ų | 157 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | | | trans | -141.4 | 143.8 | 156.7 | -103.8 | -83.6 | 0 | 0 | 0 | 111 | | |
| 11 | H | 35.4 | Very low | 33.4 | Very low | 173 Ų | 173 | 155.8 Ų | 155.8 | 80% | 0.801 | 81% | 0.811 | S | S | * | * | | | trans | -84.2 | 166.2 | 170.7 | -61.4 | -117.9 | 0 | 0 | 0 | 109 | | |
| 12 | G | 31.9 | Very low | 33.3 | Very low | 76 Ų | 76 | 149.7 Ų | 149.7 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | | | cis | 129.6 | 108.3 | -0.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 13 | A | 36.6 | Very low | 33.4 | Very low | 103 Ų | 103 | 149 Ų | 149 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | | | trans | -175 | 164.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 14 | E | 36 | Very low | 33.5 | Very low | 192 Ų | 192 | 150.7 Ų | 150.7 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | | | cis | -152.8 | 163.1 | -43.8 | -173.9 | 160 | -152.3 | 0 | 0 | 107.6 | | |
| 15 | R | 29.9 | Very low | 33.4 | Very low | 215 Ų | 215 | 150.6 Ų | 150.6 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | | | trans | -101 | 150.3 | -174.8 | -71.8 | -178.3 | 169.7 | -143.8 | -0.7 | 113.4 | | |
| 16 | Q | 36.1 | Very low | 33.4 | Very low | 199 Ų | 199 | 154.5 Ų | 154.5 | 93% | 0.93 | 82% | 0.821 | S | S | * | * | | | trans | -135.5 | 157.4 | 144 | -67.5 | -163.3 | 8.2 | 0 | 0 | 111 | | |
| 17 | T | 32 | Very low | 33.4 | Very low | 113 Ų | 113 | 152.1 Ų | 152.1 | 69% | 0.693 | 82% | 0.818 | S | S | * | * | | | trans | -151.4 | 142.2 | -169.1 | 51.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 18 | L | 35.5 | Very low | 33.7 | Very low | 158 Ų | 158 | 148.9 Ų | 148.9 | 83% | 0.827 | 82% | 0.818 | S | S | * | * | | | trans | -148.6 | 106.5 | 174 | -110.3 | 157.7 | 0 | 0 | 0 | 114 | | |
| 19 | N | 34.8 | Very low | 33.9 | Very low | 150 Ų | 150 | 145.5 Ų | 145.5 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | | | trans | 31.8 | 133.9 | 147.2 | -55.2 | -10 | 0 | 0 | 0 | 123 | | |
| 20 | T | 31.1 | Very low | 33.9 | Very low | 133 Ų | 133 | 143.2 Ų | 143.2 | 82% | 0.816 | 82% | 0.819 | S | S | * | * | | | trans | -104.4 | 163.2 | 160.3 | 50.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 21 | P | 39.7 | Very low | 34 | Very low | 131 Ų | 131 | 143.1 Ų | 143.1 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | | | trans | -108.6 | 174.5 | 150.2 | 36.7 | -28 | 0 | 0 | 0 | 111.5 | | |
| 22 | A | 33.9 | Very low | 34 | Very low | 94 Ų | 94 | 139.6 Ų | 139.6 | 78% | 0.777 | 82% | 0.822 | S | S | * | * | | | trans | -135.6 | 154.9 | -165.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 23 | S | 32.3 | Very low | 34 | Very low | 120 Ų | 120 | 142.6 Ų | 142.6 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | | | trans | 38 | 124.1 | 150.5 | -58.8 | 0 | 0 | 0 | 0 | 121.6 | | |
| 24 | T | 34.8 | Very low | 34.5 | Very low | 136 Ų | 136 | 144.8 Ų | 144.8 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | | | trans | -135.4 | 133.8 | 143.9 | -55.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 25 | Q | 31.8 | Very low | 35.1 | Very low | 180 Ų | 180 | 142.7 Ų | 142.7 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | | | trans | -98.7 | 148.8 | 168.9 | -70.9 | -169.1 | 12.8 | 0 | 0 | 110.5 | | |
| 26 | L | 32.7 | Very low | 35.8 | Very low | 171 Ų | 171 | 140.1 Ų | 140.1 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | | | trans | -150.9 | 160.9 | 160.4 | -109.6 | 165.7 | 0 | 0 | 0 | 110.3 | | |
| 27 | T | 34 | Very low | 35.9 | Very low | 124 Ų | 124 | 138.1 Ų | 138.1 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | | | trans | -110.4 | 152.3 | -160.8 | -50.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 28 | V | 35.2 | Very low | 36.9 | Very low | 127 Ų | 127 | 136 Ų | 136 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | | | trans | -56.6 | 156.6 | -177.9 | -138.7 | 0 | 0 | 0 | 0 | 114.6 | | |
| 29 | P | 34.3 | Very low | 38 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | | | | -126.9 | 150.8 | 124.4 | 37.2 | -30.9 | 0 | 0 | 0 | 112.8 | | |
| 30 | A | 30.8 | Very low | 39.3 | Very low | 89 Ų | 89 | 132.9 Ų | 132.9 | 74% | 0.736 | 74% | 0.736 | S | S | * | * | | | trans | -94.3 | 149.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 31 | H | 34.8 | Very low | 40.5 | Very low | 196 Ų | 196 | 130.3 Ų | 130.3 | 91% | 0.907 | 71% | 0.712 | S | S | * | * | | | trans | -162.7 | 153.4 | 153.5 | -115.5 | -81 | 0 | 0 | 0 | 111.5 | | |
| 32 | A | 34.8 | Very low | 41.6 | Very low | 100 Ų | 100 | 131.8 Ų | 131.8 | 83% | 0.826 | 70% | 0.7 | S | S | * | * | | | trans | 67 | 126.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 33 | H | 33.1 | Very low | 43.2 | Very low | 138 Ų | 138 | 131.9 Ų | 131.9 | 64% | 0.639 | 69% | 0.688 | S | S | * | * | | | trans | -120.2 | 84.6 | -169.3 | -163.5 | -108.1 | 0 | 0 | 0 | 110.5 | D1134 | H33-D1134 IonicContact CE1-OD1 3.66Å; H33-D1134 PolarHBondContact CE1-OD1 2.87Å; H33-D1134 IonicContact CE1-OD2 3.44Å; H33-D1134 PolarHBondContact CE1-OD2 2.95Å; H33-D1134 VanDerWaalsContact CE1-OD2 3.32Å; H33-D1134 IonicContact ND1-OD1 2.73Å; H33-D1134 IonicContact ND1-OD2 3.34Å; H33-D1134 PolarHBondContact ND1-OD2 3.36Å |
| 34 | H | 45.9 | Very low | 44.5 | Very low | 149 Ų | 149 | 128.6 Ų | 128.6 | 69% | 0.69 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -161.6 | -3.9 | 165.7 | -137.9 | -54.4 | 0 | 0 | 0 | 117.3 | | |
| 35 | Q | 49.3 | Very low | 45.5 | Very low | 149 Ų | 149 | 126.6 Ų | 126.6 | 70% | 0.696 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -104.1 | -23 | -173.9 | -73.1 | 175.8 | -62.6 | 0 | 0 | 115.3 | W37 N38 D39 | Q35-W37 VanDerWaalsContact C-N 3.26Å; Q35-W37 PolarHBondContact O-N 2.7Å; Q35-W37 VanDerWaalsContact O-N 3.07Å; Q35-N38 PolarHBondContact O-N 3.32Å; Q35-D39 PolarHBondContact O-N 2.66Å |
| 36 | Q | 45.2 | Very low | 46.7 | Very low | 160 Ų | 160 | 122.1 Ų | 122.1 | 75% | 0.748 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -61.7 | -26.7 | -166.8 | -166.3 | 173.6 | 7.2 | 0 | 0 | 114.7 | W40 | Q36-W40 VanDerWaalsContact O-CB 3.23Å; Q36-W40 WeakPolarHBondContact O-CB 3.29Å; Q36-W40 PolarHBondContact O-N 3.39Å |
| 37 | W | 38 | Very low | 47.6 | Very low | 158 Ų | 158 | 119.2 Ų | 119.2 | 60% | 0.598 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -69.7 | -41.3 | 175.8 | -172.4 | 78.5 | 0 | 0 | 0 | 112.5 | Q35 W40 Y41 | Q35-W37 VanDerWaalsContact C-N 3.26Å; Q35-W37 PolarHBondContact O-N 2.7Å; Q35-W37 VanDerWaalsContact O-N 3.07Å; W37-W40 PolarHBondContact O-N 2.97Å; W37-Y41 VanDerWaalsContact O-CB 3.27Å; W37-Y41 WeakPolarHBondContact O-CB 3.34Å; W37-Y41 PolarHBondContact O-N 3.39Å |
| 38 | N | 53.1 | Low | 48.1 | Very low | 68 Ų | 68 | 116.2 Ų | 116.2 | 36% | 0.364 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68.1 | -38.8 | 177.2 | -77.1 | -22.7 | 0 | 0 | 0 | 111.5 | Q35 Y41 R42 | Q35-N38 PolarHBondContact O-N 3.32Å; N38-Y41 PolarHBondContact O-N 3.43Å; N38-R42 WeakPolarHBondContact O-CB 3.29Å; N38-R42 WeakPolarHBondContact O-CG 3.39Å; N38-R42 PolarHBondContact O-N 3.25Å |
| 39 | D | 58.1 | Low | 48.5 | Very low | 86 Ų | 86 | 111.5 Ų | 111.5 | 46% | 0.46 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.4 | -40.9 | 174.8 | -66.5 | -33.7 | 0 | 0 | 0 | 111.6 | Q35 N43 | Q35-D39 PolarHBondContact O-N 2.66Å; D39-N43 VanDerWaalsContact O-CB 3.28Å; D39-N43 WeakPolarHBondContact O-CB 3.19Å; D39-N43 VanDerWaalsContact O-CG 3.22Å; D39-N43 PolarHBondContact O-N 2.67Å; D39-N43 PolarHBondContact O-ND2 3.32Å |
| 40 | W | 62 | Low | 49.3 | Very low | 157 Ų | 157 | 108.7 Ų | 108.7 | 60% | 0.595 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.1 | -42.3 | 173.3 | -177.8 | 77.4 | 0 | 0 | 0 | 111.7 | Q36 W37 N43 C44 | Q36-W40 VanDerWaalsContact O-CB 3.23Å; Q36-W40 WeakPolarHBondContact O-CB 3.29Å; Q36-W40 PolarHBondContact O-N 3.39Å; W37-W40 PolarHBondContact O-N 2.97Å; W40-N43 PolarHBondContact O-N 3.07Å; W40-C44 VanDerWaalsContact CE2-SG 3.53Å; W40-C44 WeakPolarHBondContact O-CB 3.28Å; W40-C44 PolarHBondContact O-N 2.84Å; W40-C44 PolarHBondContact O-SG 3.44Å |
| 41 | Y | 56.2 | Low | 50 | Low | 78 Ų | 78 | 108 Ų | 108 | 31% | 0.306 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.2 | -43.4 | 177.7 | -170.8 | -107 | 0 | 0 | 0 | 112.3 | W37 N38 C44 M45 L1086 | W37-Y41 VanDerWaalsContact O-CB 3.27Å; W37-Y41 WeakPolarHBondContact O-CB 3.34Å; W37-Y41 PolarHBondContact O-N 3.39Å; N38-Y41 PolarHBondContact O-N 3.43Å; Y41-C44 PolarHBondContact O-N 2.97Å; Y41-M45 HydrophobicContact CD1-CG 4.48Å; Y41-M45 HydrophobicContact CE1-CE 3.54Å; Y41-M45 HydrophobicContact CE1-CG 4.26Å; Y41-M45 WeakPolarHBondContact O-CB 3.49Å; Y41-M45 WeakPolarHBondContact O-CG 3.14Å; Y41-M45 PolarHBondContact O-N 3.43Å; Y41-M45 WeakPolarHBondContact OH-CE 3.43Å; Y41-L1086 HydrophobicContact CE1-CD2 4.23Å |
| 42 | R | 63.6 | Low | 50.3 | Low | 162 Ų | 162 | 101.9 Ų | 101.9 | 61% | 0.611 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.8 | -45.2 | 173.4 | -77 | -176.9 | -179.5 | -118.8 | 0.4 | 111.6 | N38 M45 V46 | N38-R42 WeakPolarHBondContact O-CB 3.29Å; N38-R42 WeakPolarHBondContact O-CG 3.39Å; N38-R42 PolarHBondContact O-N 3.25Å; R42-M45 PolarHBondContact O-N 3.45Å; R42-V46 WeakPolarHBondContact O-CB 3.03Å; R42-V46 VanDerWaalsContact O-CG2 3.29Å; R42-V46 WeakPolarHBondContact O-CG2 3.49Å; R42-V46 PolarHBondContact O-N 3.43Å |
| 43 | N | 67.7 | Low | 50.5 | Low | 96 Ų | 96 | 100.1 Ų | 100.1 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.2 | -43.1 | 177.5 | -72.3 | -43.3 | 0 | 0 | 0 | 111.7 | D39 W40 M45 V46 D47 | D39-N43 VanDerWaalsContact O-CB 3.28Å; D39-N43 WeakPolarHBondContact O-CB 3.19Å; D39-N43 VanDerWaalsContact O-CG 3.22Å; D39-N43 PolarHBondContact O-N 2.67Å; D39-N43 PolarHBondContact O-ND2 3.32Å; W40-N43 PolarHBondContact O-N 3.07Å; N43-M45 PolarHBondContact O-N 3.05Å; N43-V46 PolarHBondContact O-N 3.09Å; N43-D47 WeakPolarHBondContact O-CB 3.41Å; N43-D47 PolarHBondContact O-N 2.81Å |
| 44 | C | 59.2 | Low | 50.6 | Low | 51 Ų | 51 | 100.1 Ų | 100.1 | 35% | 0.345 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.9 | -34 | 175 | -74.6 | 0 | 0 | 0 | 0 | 113.4 | W40 Y41 A48 | W40-C44 VanDerWaalsContact CE2-SG 3.53Å; W40-C44 WeakPolarHBondContact O-CB 3.28Å; W40-C44 PolarHBondContact O-N 2.84Å; W40-C44 PolarHBondContact O-SG 3.44Å; Y41-C44 PolarHBondContact O-N 2.97Å; C44-A48 WeakPolarHBondContact O-CB 3.46Å; C44-A48 PolarHBondContact O-N 2.6Å |
| 45 | M | 55 | Low | 50.2 | Low | 95 Ų | 95 | 98.8 Ų | 98.8 | 47% | 0.468 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.7 | -45.4 | 169.6 | -86.7 | -105.6 | -149.1 | 0 | 0 | 111.7 | Y41 R42 N43 A49 L1086 | Y41-M45 HydrophobicContact CD1-CG 4.48Å; Y41-M45 HydrophobicContact CE1-CE 3.54Å; Y41-M45 HydrophobicContact CE1-CG 4.26Å; Y41-M45 WeakPolarHBondContact O-CB 3.49Å; Y41-M45 WeakPolarHBondContact O-CG 3.14Å; Y41-M45 PolarHBondContact O-N 3.43Å; Y41-M45 WeakPolarHBondContact OH-CE 3.43Å; R42-M45 PolarHBondContact O-N 3.45Å; N43-M45 PolarHBondContact O-N 3.05Å; M45-A49 WeakPolarHBondContact O-CB 3.46Å; M45-A49 PolarHBondContact O-N 3.47Å; M45-L1086 HydrophobicContact CE-CD1 4.31Å |
| 46 | V | 58.7 | Low | 49.3 | Very low | 85 Ų | 85 | 100.6 Ų | 100.6 | 52% | 0.515 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.3 | -44.7 | 179.6 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | R42 N43 A48 A49 T50 | R42-V46 WeakPolarHBondContact O-CB 3.03Å; R42-V46 VanDerWaalsContact O-CG2 3.29Å; R42-V46 WeakPolarHBondContact O-CG2 3.49Å; R42-V46 PolarHBondContact O-N 3.43Å; N43-V46 PolarHBondContact O-N 3.09Å; V46-A48 PolarHBondContact O-N 2.64Å; V46-A49 PolarHBondContact O-N 3.33Å; V46-T50 VanDerWaalsContact O-CB 3.3Å; V46-T50 WeakPolarHBondContact O-CB 3.31Å; V46-T50 PolarHBondContact O-N 2.95Å; V46-T50 PolarHBondContact O-OG1 3.09Å |
| 47 | D | 49.6 | Very low | 48.5 | Very low | 110 Ų | 110 | 98.5 Ų | 98.5 | 59% | 0.588 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.5 | -39.8 | 175.3 | -79.4 | -25.8 | 0 | 0 | 0 | 111.9 | N43 T50 A51 | N43-D47 WeakPolarHBondContact O-CB 3.41Å; N43-D47 PolarHBondContact O-N 2.81Å; D47-T50 PolarHBondContact O-N 3.27Å; D47-A51 WeakPolarHBondContact O-CB 3.42Å; D47-A51 PolarHBondContact O-N 3.06Å |
| 48 | A | 45.1 | Very low | 48.3 | Very low | 61 Ų | 61 | 99.2 Ų | 99.2 | 50% | 0.504 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.2 | -40.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | C44 V46 A52 | C44-A48 WeakPolarHBondContact O-CB 3.46Å; C44-A48 PolarHBondContact O-N 2.6Å; V46-A48 PolarHBondContact O-N 2.64Å; A48-A52 VanDerWaalsContact O-CB 3.28Å; A48-A52 WeakPolarHBondContact O-CB 3.48Å; A48-A52 PolarHBondContact O-N 2.94Å |
| 49 | A | 43.7 | Very low | 47.4 | Very low | 28 Ų | 28 | 99.6 Ų | 99.6 | 23% | 0.231 | 57% | 0.567 | C | S | . | * | H | α-helix | trans | -63.5 | -45.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | M45 V46 A52 A53 M1223 | M45-A49 WeakPolarHBondContact O-CB 3.46Å; M45-A49 PolarHBondContact O-N 3.47Å; V46-A49 PolarHBondContact O-N 3.33Å; A49-A52 CarbonylContact O-C 3.55Å; A49-A52 PolarHBondContact O-N 2.84Å; A49-A53 VanDerWaalsContact O-CB 3.28Å; A49-A53 WeakPolarHBondContact O-CB 3.41Å; A49-A53 PolarHBondContact O-N 3.46Å; A49-M1223 HydrophobicContact CB-CE 3.64Å |
| 50 | T | 51.4 | Low | 46.3 | Very low | 67 Ų | 67 | 103.8 Ų | 103.8 | 41% | 0.411 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.4 | -40.3 | 178.2 | -63.8 | 0 | 0 | 0 | 0 | 111.5 | V46 D47 A52 A53 F54 | V46-T50 VanDerWaalsContact O-CB 3.3Å; V46-T50 WeakPolarHBondContact O-CB 3.31Å; V46-T50 PolarHBondContact O-N 2.95Å; V46-T50 PolarHBondContact O-OG1 3.09Å; D47-T50 PolarHBondContact O-N 3.27Å; T50-A52 VanDerWaalsContact C-N 3.31Å; T50-A52 PolarHBondContact O-N 3.06Å; T50-A53 PolarHBondContact O-N 3.25Å; T50-A53 VanDerWaalsContact O-N 3.12Å; T50-F54 HydrophobicContact CG2-CE2 3.98Å; T50-F54 VanDerWaalsContact O-CD2 3.26Å; T50-F54 WeakPolarHBondContact O-CD2 3.25Å |
| 51 | A | 45.5 | Very low | 45 | Very low | 75 Ų | 75 | 104.3 Ų | 104.3 | 62% | 0.62 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.4 | -33.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D47 A53 | D47-A51 WeakPolarHBondContact O-CB 3.42Å; D47-A51 PolarHBondContact O-N 3.06Å; A51-A53 VanDerWaalsContact C-N 3.35Å |
| 52 | A | 41.5 | Very low | 43.8 | Very low | 66 Ų | 66 | 111.5 Ų | 111.5 | 55% | 0.545 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -76.7 | -17.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | A48 A49 T50 | A48-A52 VanDerWaalsContact O-CB 3.28Å; A48-A52 WeakPolarHBondContact O-CB 3.48Å; A48-A52 PolarHBondContact O-N 2.94Å; A49-A52 CarbonylContact O-C 3.55Å; A49-A52 PolarHBondContact O-N 2.84Å; T50-A52 VanDerWaalsContact C-N 3.31Å; T50-A52 PolarHBondContact O-N 3.06Å |
| 53 | A | 39.5 | Very low | 42.3 | Very low | 63 Ų | 63 | 109 Ų | 109 | 52% | 0.521 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.1 | -5.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | A49 T50 A51 P55 | A49-A53 VanDerWaalsContact O-CB 3.28Å; A49-A53 WeakPolarHBondContact O-CB 3.41Å; A49-A53 PolarHBondContact O-N 3.46Å; T50-A53 PolarHBondContact O-N 3.25Å; T50-A53 VanDerWaalsContact O-N 3.12Å; A51-A53 VanDerWaalsContact C-N 3.35Å; A53-P55 VanDerWaalsContact O-CD 3.31Å; A53-P55 WeakPolarHBondContact O-CD 3.36Å |
| 54 | F | 33.3 | Very low | 40.7 | Very low | 139 Ų | 139 | 109 Ų | 109 | 61% | 0.61 | 65% | 0.651 | S | S | * | * | | | trans | -84.2 | 113.7 | 176.6 | -83.9 | -75.6 | 0 | 0 | 0 | 112.3 | T50 F56 | T50-F54 HydrophobicContact CG2-CE2 3.98Å; T50-F54 VanDerWaalsContact O-CD2 3.26Å; T50-F54 WeakPolarHBondContact O-CD2 3.25Å; F54-F56 HydrophobicContact CB-CD2 4.46Å; F54-F56 PolarHBondContact O-N 3.1Å |
| 55 | P | 37.8 | Very low | 39.3 | Very low | 121 Ų | 121 | 114.9 Ų | 114.9 | 79% | 0.786 | 67% | 0.673 | S | S | * | * | | | trans | -80.3 | 86.5 | -176.5 | 33 | -35.4 | 0 | 0 | 0 | 111.7 | A53 S57 | A53-P55 VanDerWaalsContact O-CD 3.31Å; A53-P55 WeakPolarHBondContact O-CD 3.36Å; P55-S57 VanDerWaalsContact C-N 3.35Å; P55-S57 PolarHBondContact O-N 2.98Å |
| 56 | F | 30.6 | Very low | 38.3 | Very low | 187 Ų | 187 | 118.7 Ų | 118.7 | 82% | 0.82 | 69% | 0.694 | S | S | * | * | | | trans | -72.6 | 85.6 | 173.7 | -94.1 | -78.2 | 0 | 0 | 0 | 112.6 | F54 M58 | F54-F56 HydrophobicContact CB-CD2 4.46Å; F54-F56 PolarHBondContact O-N 3.1Å; F56-M58 PolarHBondContact O-N 3.29Å |
| 57 | S | 29.3 | Very low | 37 | Very low | 115 Ų | 115 | 121.8 Ų | 121.8 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | | | trans | -69.4 | 112.6 | 164.2 | -177.5 | 0 | 0 | 0 | 0 | 110.6 | P55 | P55-S57 VanDerWaalsContact C-N 3.35Å; P55-S57 PolarHBondContact O-N 2.98Å |
| 58 | M | 32.8 | Very low | 36.1 | Very low | 173 Ų | 173 | 123.7 Ų | 123.7 | 85% | 0.852 | 72% | 0.716 | S | S | * | * | | | trans | -140.3 | 136.3 | 157.8 | -78.4 | -151.9 | -69.3 | 0 | 0 | 110.4 | F56 | F56-M58 PolarHBondContact O-N 3.29Š|
| 59 | G | 34 | Very low | 35.6 | Very low | 77 Ų | 77 | 125.5 Ų | 125.5 | 79% | 0.794 | 72% | 0.723 | S | S | * | * | | | trans | -78.9 | 157.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 60 | N | 35.5 | Very low | 34.9 | Very low | 174 Ų | 174 | 131.4 Ų | 131.4 | 93% | 0.93 | 75% | 0.751 | S | S | * | * | | | trans | -72.7 | 123.3 | 165.1 | -84.2 | -59.2 | 0 | 0 | 0 | 109.9 | | |
| 61 | D | 34.5 | Very low | 33.8 | Very low | 168 Ų | 168 | 136.5 Ų | 136.5 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | | | trans | -133 | 140.3 | 158 | -132.1 | -29.8 | 0 | 0 | 0 | 109.9 | | |
| 62 | R | 32.1 | Very low | 33.1 | Very low | 229 Ų | 229 | 142.7 Ų | 142.7 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | | | trans | -122.6 | 137.3 | -166 | -117.2 | -175.4 | 178.1 | -168.2 | -0.3 | 112.5 | | |
| 63 | S | 32 | Very low | 32.5 | Very low | 109 Ų | 109 | 144 Ų | 144 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | | | trans | 63.7 | 98.3 | 153 | 57.2 | 0 | 0 | 0 | 0 | 120.2 | | |
| 64 | A | 33.5 | Very low | 32.1 | Very low | 96 Ų | 96 | 144.2 Ų | 144.2 | 79% | 0.793 | 79% | 0.79 | S | S | * | * | | | trans | -140.3 | 106.2 | 133.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 65 | Q | 30.8 | Very low | 32 | Very low | 175 Ų | 175 | 146.8 Ų | 146.8 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | | 47.2 | 107.2 | 87 | -67.3 | -168.3 | 53.1 | 0 | 0 | 114.3 | | |
| 66 | L | 32.5 | Very low | 31.8 | Very low | 175 Ų | 175 | 145.4 Ų | 145.4 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | | | | -166.9 | 140 | 106.1 | -100.5 | 164.3 | 0 | 0 | 0 | 112 | | |
| 67 | L | 32.2 | Very low | 31.9 | Very low | 149 Ų | 149 | 145 Ų | 145 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | | | trans | -99.3 | 144.9 | 179.7 | -101.3 | 158.9 | 0 | 0 | 0 | 111 | | |
| 68 | L | 31.4 | Very low | 32.1 | Very low | 150 Ų | 150 | 148 Ų | 148 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | | | trans | 70.9 | 156.6 | 158.7 | -64.8 | 160.6 | 0 | 0 | 0 | 117 | | |
| 69 | P | 33.7 | Very low | 32.1 | Very low | 99 Ų | 99 | 145.4 Ų | 145.4 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | | | cis | -122.9 | 152.5 | 9.4 | 39.5 | -25.8 | 0 | 0 | 0 | 116.5 | F71 | P69-F71 HydrophobicContact CB-CD2 4.38Å; P69-F71 PolarHBondContact O-N 3.5Å |
| 70 | N | 28.9 | Very low | 32 | Very low | 153 Ų | 153 | 146 Ų | 146 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -63.6 | 123.2 | 154.6 | -75.5 | -12 | 0 | 0 | 0 | 109.4 | | |
| 71 | F | 29.2 | Very low | 31.8 | Very low | 174 Ų | 174 | 141.3 Ų | 141.3 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | | | trans | -164.3 | 137.6 | 164.8 | -106 | -57.7 | 0 | 0 | 0 | 113.1 | P69 | P69-F71 HydrophobicContact CB-CD2 4.38Å; P69-F71 PolarHBondContact O-N 3.5Å |
| 72 | Y | 29.3 | Very low | 32.1 | Very low | 205 Ų | 205 | 137.4 Ų | 137.4 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | | | trans | 62.6 | 116 | 173 | -73.7 | -102.6 | 0 | 0 | 0 | 116.5 | | |
| 73 | S | 28.9 | Very low | 31.9 | Very low | 92 Ų | 92 | 130.9 Ų | 130.9 | 64% | 0.643 | 73% | 0.732 | S | S | * | * | | | cis | 103 | 128.8 | 19.7 | 80 | 0 | 0 | 0 | 0 | 115.3 | | |
| 74 | G | 32.8 | Very low | 31.9 | Very low | 69 Ų | 69 | 129 Ų | 129 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | | | trans | -176.6 | 81.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 75 | F | 30.9 | Very low | 31.8 | Very low | 192 Ų | 192 | 131 Ų | 131 | 84% | 0.842 | 73% | 0.725 | S | S | * | * | | | | 82.4 | 141.6 | 96.5 | -96.3 | -104.8 | 0 | 0 | 0 | 113.3 | | |
| 76 | P | 34 | Very low | 31.9 | Very low | 93 Ų | 93 | 127.3 Ų | 127.3 | 60% | 0.604 | 73% | 0.725 | S | S | * | * | | | | -139.2 | 175.8 | -90.2 | 39.5 | -22.6 | 0 | 0 | 0 | 116 | | |
| 77 | Q | 32 | Very low | 31.8 | Very low | 177 Ų | 177 | 122.4 Ų | 122.4 | 83% | 0.827 | 72% | 0.717 | S | S | * | * | | | trans | 34.6 | 130.6 | 142.6 | -69.3 | 176.3 | -17.8 | 0 | 0 | 121 | | |
| 78 | Q | 33.9 | Very low | 31.9 | Very low | 180 Ų | 180 | 124.4 Ų | 124.4 | 84% | 0.841 | 72% | 0.719 | S | S | * | * | | | | -157.2 | 131 | 111.5 | -116.6 | 154.1 | 80.7 | 0 | 0 | 114.1 | | |
| 79 | T | 32 | Very low | 32 | Very low | 118 Ų | 118 | 123.8 Ų | 123.8 | 72% | 0.724 | 72% | 0.717 | S | S | * | * | | | trans | 35.7 | 126.2 | 143.1 | 56.9 | 0 | 0 | 0 | 0 | 120.1 | | |
| 80 | A | 32.1 | Very low | 31.8 | Very low | 89 Ų | 89 | 124 Ų | 124 | 74% | 0.736 | 73% | 0.727 | S | S | * | * | | | | 57.7 | 134.2 | 57.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 81 | S | 31.8 | Very low | 32 | Very low | 76 Ų | 76 | 120.2 Ų | 120.2 | 53% | 0.531 | 72% | 0.724 | S | S | . | * | | | cis | -154.2 | 169.4 | 2.5 | -95.8 | 0 | 0 | 0 | 0 | 110.4 | N227 | S81-N227 VanDerWaalsContact CB-ND2 3.32Å; S81-N227 WeakPolarHBondContact CB-ND2 3.5Å; S81-N227 PolarHBondContact OG-ND2 3.44Å |
| 82 | P | 39.8 | Very low | 32 | Very low | 85 Ų | 85 | 116.5 Ų | 116.5 | 55% | 0.552 | 73% | 0.726 | S | S | * | * | | | trans | -74.5 | 162.6 | -176.7 | -14.1 | 26.9 | 0 | 0 | 0 | 116.4 | Q226 | P82-Q226 VanDerWaalsContact CD-OE1 3.28Å; P82-Q226 PolarHBondContact O-OE1 2.87Å |
| 83 | L | 27.8 | Very low | 32.1 | Very low | 93 Ų | 93 | 111.8 Ų | 111.8 | 49% | 0.487 | 72% | 0.721 | S | S | . | * | | | | -171 | 171.1 | 112.4 | -109.1 | -178.4 | 0 | 0 | 0 | 117.7 | H225 Q226 | L83-H225 HydrophobicContact CD1-CB 3.74Å; L83-H225 HydrophobicContact CD2-CB 4.46Å; L83-H225 WeakPolarHBondContact CD2-CD2 3.32Å; L83-H225 WeakPolarHBondContact CD2-NE2 3.46Å; L83-Q226 HydrophobicContact CD1-CB 3.72Å; L83-Q226 HydrophobicContact CD1-CG 4.17Å; L83-Q226 HydrophobicContact CG-CB 4.24Å; L83-Q226 HydrophobicContact CG-CG 4.3Å |
| 84 | A | 31.5 | Very low | 32.2 | Very low | 69 Ų | 69 | 115.3 Ų | 115.3 | 57% | 0.57 | 73% | 0.728 | S | S | * | * | | | trans | -66.7 | 174.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 85 | V | 32.8 | Very low | 32.2 | Very low | 137 Ų | 137 | 117.3 Ų | 117.3 | 83% | 0.83 | 73% | 0.731 | S | S | * | * | | | cis | -146.5 | 158.9 | 44.9 | 171 | 0 | 0 | 0 | 0 | 112.7 | | |
| 86 | A | 31.4 | Very low | 32.4 | Very low | 98 Ų | 98 | 112.3 Ų | 112.3 | 81% | 0.81 | 72% | 0.72 | S | S | * | * | | | trans | -44.7 | 162 | 179.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 87 | G | 32 | Very low | 32.5 | Very low | 73 Ų | 73 | 117.3 Ų | 117.3 | 75% | 0.753 | 73% | 0.732 | S | S | * | * | | | trans | -175.6 | 49.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 88 | K | 33.3 | Very low | 32.7 | Very low | 191 Ų | 191 | 116.6 Ų | 116.6 | 83% | 0.83 | 73% | 0.729 | S | S | * | * | | | trans | 63.8 | 171.9 | 148.3 | -97.7 | -174.4 | 178.1 | -173.4 | 0 | 121.1 | | |
| 89 | D | 33.6 | Very low | 33 | Very low | 137 Ų | 137 | 113.6 Ų | 113.6 | 73% | 0.733 | 72% | 0.724 | S | S | * | * | | | trans | 54.3 | 115.6 | 164.7 | -47.7 | -27.5 | 0 | 0 | 0 | 117.6 | | |
| 90 | A | 30.8 | Very low | 33.4 | Very low | 103 Ų | 103 | 113 Ų | 113 | 85% | 0.851 | 72% | 0.721 | S | S | * | * | | | cis | 74.7 | 108.1 | 46.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 91 | G | 31.6 | Very low | 34.3 | Very low | 74 Ų | 74 | 114 Ų | 114 | 76% | 0.763 | 72% | 0.72 | S | S | * | * | | | trans | 143.3 | 98.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 92 | A | 30.3 | Very low | 35 | Very low | 96 Ų | 96 | 115.9 Ų | 115.9 | 79% | 0.793 | 73% | 0.73 | S | S | * | * | | | trans | 59.5 | 155.1 | 133.3 | 0 | 0 | 0 | 0 | 0 | 123.5 | | |
| 93 | C | 30 | Very low | 34.8 | Very low | 106 Ų | 106 | 119.1 Ų | 119.1 | 72% | 0.716 | 74% | 0.742 | S | S | * | * | | | trans | 71.5 | 152.7 | 155.8 | -64.5 | 0 | 0 | 0 | 0 | 118.9 | | |
| 94 | Q | 31.3 | Very low | 35.2 | Very low | 166 Ų | 166 | 122.3 Ų | 122.3 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | | | cis | -168.4 | 150.4 | -23.7 | -115.5 | -177.1 | 65.4 | 0 | 0 | 109.2 | | |
| 95 | S | 33.8 | Very low | 35.4 | Very low | 111 Ų | 111 | 122.4 Ų | 122.4 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | | | trans | 64.4 | 166.4 | 163.4 | 87.6 | 0 | 0 | 0 | 0 | 116.3 | | |
| 96 | S | 35.1 | Very low | 35.6 | Very low | 87 Ų | 87 | 123 Ų | 123 | 61% | 0.608 | 76% | 0.757 | S | S | * | * | | | cis | -161.3 | 156.1 | -22.1 | 39.7 | 0 | 0 | 0 | 0 | 106.1 | | |
| 97 | F | 35.3 | Very low | 35.8 | Very low | 198 Ų | 198 | 124.3 Ų | 124.3 | 87% | 0.868 | 75% | 0.748 | S | S | * | * | | | cis | -151.2 | 167.1 | 43.8 | -96.6 | -95.6 | 0 | 0 | 0 | 113 | | |
| 98 | H | 36 | Very low | 35.9 | Very low | 162 Ų | 162 | 130 Ų | 130 | 75% | 0.75 | 75% | 0.747 | S | S | * | * | | | trans | -78.1 | 174.2 | 171.8 | -83.8 | -86.9 | 0 | 0 | 0 | 112.7 | | |
| 99 | P | 40 | Very low | 36 | Very low | 116 Ų | 116 | 126.6 Ų | 126.6 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | | | cis | -135.4 | 176.7 | 19.2 | 43.5 | -26.8 | 0 | 0 | 0 | 116 | | |
| 100 | T | 40.8 | Very low | 36 | Very low | 105 Ų | 105 | 124.1 Ų | 124.1 | 64% | 0.644 | 74% | 0.741 | S | S | * | * | | | cis | -163.9 | 146.5 | -24.7 | 29.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 101 | P | 51.2 | Low | 35.9 | Very low | 110 Ų | 110 | 126 Ų | 126 | 71% | 0.714 | 74% | 0.736 | S | S | * | * | | | trans | -78.4 | 145.8 | 168.7 | 33.8 | -34.8 | 0 | 0 | 0 | 112.4 | | |
| 102 | P | 46.1 | Very low | 36 | Very low | 116 Ų | 116 | 128 Ų | 128 | 75% | 0.753 | 73% | 0.734 | S | S | * | * | | | | -108.4 | -174.4 | 110.1 | -16.2 | 34 | 0 | 0 | 0 | 112.7 | | |
| 103 | L | 37.1 | Very low | 36.2 | Very low | 153 Ų | 153 | 129.5 Ų | 129.5 | 80% | 0.801 | 73% | 0.733 | S | S | * | * | | | cis | -131.6 | -117.8 | 0 | -166.2 | 103.1 | 0 | 0 | 0 | 111.4 | | |
| 104 | H | 36 | Very low | 36.1 | Very low | 161 Ų | 161 | 132.1 Ų | 132.1 | 75% | 0.745 | 74% | 0.735 | S | S | * | * | | | trans | -145.7 | 153.1 | -173.4 | -70.2 | 56.6 | 0 | 0 | 0 | 110.3 | | |
| 105 | G | 35.1 | Very low | 36.2 | Very low | 70 Ų | 70 | 128.1 Ų | 128.1 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | | | cis | 161.8 | 179.7 | -12 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 106 | M | 36.2 | Very low | 36.1 | Very low | 151 Ų | 151 | 130.2 Ų | 130.2 | 74% | 0.744 | 74% | 0.741 | S | S | * | * | | | trans | 75.9 | 113.8 | 148 | -72.8 | -164.8 | 159.5 | 0 | 0 | 122.9 | | |
| 107 | M | 36.1 | Very low | 36.4 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 61% | 0.611 | 75% | 0.747 | S | S | * | * | | | trans | 75.7 | 147.3 | 134.3 | -61.3 | -164.5 | -174.5 | 0 | 0 | 119.4 | | |
| 108 | R | 35.3 | Very low | 36.3 | Very low | 192 Ų | 192 | 125.8 Ų | 125.8 | 73% | 0.725 | 74% | 0.744 | S | S | * | * | | | cis | -156.8 | 126 | -14.6 | -112.8 | 174.9 | -179.4 | 165.6 | -1.2 | 107.1 | | |
| 109 | T | 33.7 | Very low | 36.1 | Very low | 120 Ų | 120 | 122.6 Ų | 122.6 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | | | | 57 | 150 | 99.5 | 69.9 | 0 | 0 | 0 | 0 | 117.1 | | |
| 110 | A | 34.9 | Very low | 35.7 | Very low | 85 Ų | 85 | 125.9 Ų | 125.9 | 70% | 0.702 | 75% | 0.753 | S | S | * | * | | | trans | 82 | 137.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 111 | D | 29.3 | Very low | 35.2 | Very low | 142 Ų | 142 | 126.2 Ų | 126.2 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | | | cis | -173.5 | -179.7 | -23.3 | -122.9 | -52.2 | 0 | 0 | 0 | 110 | | |
| 112 | V | 32.3 | Very low | 34.2 | Very low | 117 Ų | 117 | 123.1 Ų | 123.1 | 71% | 0.709 | 75% | 0.747 | S | S | * | * | | | trans | 52.9 | 125.3 | 140 | 164.5 | 0 | 0 | 0 | 0 | 118.8 | | |
| 113 | T | 34.8 | Very low | 33.3 | Very low | 128 Ų | 128 | 124.1 Ų | 124.1 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | | | cis | -162 | 167.3 | 10.7 | 8.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 114 | Q | 29 | Very low | 33 | Very low | 160 Ų | 160 | 120.2 Ų | 120.2 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | | | trans | -68.3 | 156.5 | 164 | -61.3 | 156 | -43.3 | 0 | 0 | 112.1 | F1326 | Q114-F1326 PolarHBondContact NE2-O 3.29Š|
| 115 | G | 32.3 | Very low | 32.7 | Very low | 82 Ų | 82 | 117.4 Ų | 117.4 | 85% | 0.845 | 72% | 0.715 | S | S | * | * | | | trans | -170.7 | 53.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 116 | N | 32.7 | Very low | 32.3 | Very low | 155 Ų | 155 | 123.9 Ų | 123.9 | 83% | 0.829 | 72% | 0.718 | S | S | * | * | | | trans | -90.2 | 172.9 | 170 | -157.4 | 27.3 | 0 | 0 | 0 | 109.8 | | |
| 117 | P | 40.4 | Very low | 32 | Very low | 115 Ų | 115 | 121.6 Ų | 121.6 | 75% | 0.747 | 72% | 0.717 | S | S | * | * | | | cis | -122.2 | -174.4 | -23.2 | 21.2 | 3.1 | 0 | 0 | 0 | 113.1 | | |
| 118 | G | 32.4 | Very low | 31.8 | Very low | 77 Ų | 77 | 119.8 Ų | 119.8 | 79% | 0.794 | 72% | 0.721 | S | S | * | * | | | trans | -168.2 | 96.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 119 | A | 32.2 | Very low | 31.7 | Very low | 95 Ų | 95 | 116.2 Ų | 116.2 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | | | trans | 56.7 | 113.2 | 143.8 | 0 | 0 | 0 | 0 | 0 | 124.3 | | |
| 120 | M | 31 | Very low | 31.6 | Very low | 186 Ų | 186 | 116.6 Ų | 116.6 | 92% | 0.916 | 72% | 0.719 | S | S | * | * | | | | 81.5 | 149.2 | 124.7 | -69.5 | -171.8 | 143.3 | 0 | 0 | 124.7 | | |
| 121 | S | 30.7 | Very low | 31.4 | Very low | 112 Ų | 112 | 121.7 Ų | 121.7 | 78% | 0.783 | 73% | 0.725 | S | S | * | * | | | trans | -26 | 163.9 | 159.7 | -42.7 | 0 | 0 | 0 | 0 | 118.6 | | |
| 122 | G | 29.9 | Very low | 32 | Very low | 44 Ų | 44 | 119.9 Ų | 119.9 | 45% | 0.454 | 72% | 0.722 | S | S | . | * | | | cis | 137.7 | 152.3 | 5.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 123 | L | 28.7 | Very low | 32.3 | Very low | 138 Ų | 138 | 121.4 Ų | 121.4 | 72% | 0.723 | 73% | 0.731 | S | S | * | * | | | trans | 87.5 | -154.4 | 176.6 | -82.8 | 71.5 | 0 | 0 | 0 | 118.7 | F613 | L123-F613 CarbonylContact C-O 3.27Å; L123-F613 VanDerWaalsContact C-O 3.27Å; L123-F613 WeakPolarHBondContact CB-O 3.43Å |
| 124 | V | 30.1 | Very low | 32.4 | Very low | 71 Ų | 71 | 117.9 Ų | 117.9 | 43% | 0.43 | 72% | 0.72 | S | S | . | * | B | Isolated β-bridge | | -157.2 | 134.7 | -123.2 | 155.1 | 0 | 0 | 0 | 0 | 114.6 | F613 T614 | V124-F613 VanDerWaalsContact N-C 3.3Å; V124-F613 PolarHBondContact N-O 3.05Å; V124-F613 CarbonylContact O-C 3.1Å; V124-F613 PolarHBondContact O-N 3.43Å; V124-T614 PolarHBondContact O-N 3.39Å |
| 125 | Q | 29.8 | Very low | 32.9 | Very low | 101 Ų | 101 | 117.8 Ų | 117.8 | 47% | 0.472 | 73% | 0.73 | S | S | . | * | | | trans | 88.7 | 122.9 | 159.6 | -73.4 | 159.8 | 13.6 | 0 | 0 | 126.1 | T614 | Q125-T614 WeakPolarHBondContact CA-OG1 3.48Å; Q125-T614 PolarHBondContact N-OG1 2.82Å; Q125-T614 PolarHBondContact O-OG1 2.92Å |
| 126 | R | 27.3 | Very low | 33.1 | Very low | 206 Ų | 206 | 117.2 Ų | 117.2 | 78% | 0.777 | 73% | 0.725 | S | S | * | * | | | trans | 78.6 | 156.8 | 140.8 | -71.2 | 173 | 176.5 | -161.2 | -2 | 118.8 | | |
| 127 | S | 29.6 | Very low | 33.5 | Very low | 104 Ų | 104 | 117.1 Ų | 117.1 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | | | cis | -173 | 176.7 | -14.3 | 50 | 0 | 0 | 0 | 0 | 112.1 | | |
| 128 | A | 30.9 | Very low | 33.3 | Very low | 85 Ų | 85 | 119 Ų | 119 | 70% | 0.702 | 73% | 0.728 | S | S | * | * | | | trans | 80.9 | 148.8 | 160.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 129 | T | 33.2 | Very low | 33.6 | Very low | 117 Ų | 117 | 119.2 Ų | 119.2 | 72% | 0.718 | 73% | 0.729 | S | S | * | * | | | cis | -161.1 | 159.8 | 0.4 | -1.2 | 0 | 0 | 0 | 0 | 114 | | |
| 130 | N | 32.8 | Very low | 33.9 | Very low | 129 Ų | 129 | 118.8 Ų | 118.8 | 69% | 0.69 | 73% | 0.734 | S | S | * | * | | | trans | 75.9 | 109.1 | 149.9 | -62 | -17.9 | 0 | 0 | 0 | 124 | | |
| 131 | F | 30.8 | Very low | 34.2 | Very low | 191 Ų | 191 | 113.7 Ų | 113.7 | 84% | 0.838 | 73% | 0.729 | S | S | * | * | | | | 43.4 | 161 | 110.6 | -74.9 | -71.7 | 0 | 0 | 0 | 122.9 | | |
| 132 | P | 41 | Very low | 34.4 | Very low | 105 Ų | 105 | 114.4 Ų | 114.4 | 68% | 0.682 | 73% | 0.728 | S | S | * | * | | | cis | -140.8 | 166.7 | -1.5 | 28.2 | -3.9 | 0 | 0 | 0 | 119.7 | | |
| 133 | V | 38.2 | Very low | 34.6 | Very low | 148 Ų | 148 | 120.2 Ų | 120.2 | 90% | 0.897 | 74% | 0.744 | S | S | * | * | | | trans | 58.8 | 143.2 | 142.2 | 170.9 | 0 | 0 | 0 | 0 | 121.5 | | |
| 134 | G | 37.8 | Very low | 34.9 | Very low | 55 Ų | 55 | 119.3 Ų | 119.3 | 57% | 0.567 | 74% | 0.744 | S | S | * | * | | | cis | 159.2 | 166.3 | -9 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 135 | T | 38.7 | Very low | 35.3 | Very low | 157 Ų | 157 | 121 Ų | 121 | 96% | 0.963 | 76% | 0.757 | S | S | * | * | | | trans | 65 | 152 | 174.8 | 65.2 | 0 | 0 | 0 | 0 | 117.7 | | |
| 136 | G | 37.8 | Very low | 35.4 | Very low | 71 Ų | 71 | 124.1 Ų | 124.1 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | | | cis | 174.8 | 178.3 | -1.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 137 | L | 39.5 | Very low | 35.9 | Very low | 153 Ų | 153 | 119.3 Ų | 119.3 | 80% | 0.801 | 77% | 0.771 | S | S | * | * | | | cis | -168.3 | 160.6 | -11.1 | -104.2 | 170.8 | 0 | 0 | 0 | 110.1 | | |
| 138 | D | 37.9 | Very low | 36.2 | Very low | 155 Ų | 155 | 120.8 Ų | 120.8 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | | | trans | 52 | 153.7 | 162.7 | -54 | -36.7 | 0 | 0 | 0 | 122.2 | | |
| 139 | G | 38.7 | Very low | 36.4 | Very low | 80 Ų | 80 | 120.5 Ų | 120.5 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | cis | 161.6 | 138.6 | -13.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 140 | G | 38.2 | Very low | 36.4 | Very low | 86 Ų | 86 | 122.5 Ų | 122.5 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | | | trans | 112.8 | 110.1 | 147.8 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 141 | G | 37.2 | Very low | 36.4 | Very low | 79 Ų | 79 | 126.2 Ų | 126.2 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | | | trans | 80.4 | 166.9 | 148.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 142 | V | 35.1 | Very low | 36.3 | Very low | 127 Ų | 127 | 126.3 Ų | 126.3 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | | | cis | -165.7 | 147.9 | -16.9 | 107 | 0 | 0 | 0 | 0 | 111.9 | | |
| 143 | Q | 33.9 | Very low | 36.2 | Very low | 166 Ų | 166 | 126.4 Ų | 126.4 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | | | trans | 61.2 | 117.2 | 160.4 | -70.6 | 172.9 | 49.6 | 0 | 0 | 124.1 | | |
| 144 | T | 34.1 | Very low | 35.7 | Very low | 120 Ų | 120 | 125.7 Ų | 125.7 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | | | | 18.8 | 161.6 | 114.9 | 43.6 | 0 | 0 | 0 | 0 | 123 | | |
| 145 | P | 38.5 | Very low | 35.4 | Very low | 107 Ų | 107 | 127.6 Ų | 127.6 | 70% | 0.695 | 80% | 0.803 | S | S | * | * | | | cis | -148.7 | -167.1 | -18.2 | 40.8 | -19.4 | 0 | 0 | 0 | 117.4 | | |
| 146 | L | 31.3 | Very low | 35 | Very low | 165 Ų | 165 | 124.5 Ų | 124.5 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | | | trans | 83.1 | 152.3 | 151.1 | -73.4 | 173.4 | 0 | 0 | 0 | 122.1 | | |
| 147 | P | 38.2 | Very low | 35 | Very low | 106 Ų | 106 | 126.2 Ų | 126.2 | 69% | 0.688 | 79% | 0.792 | S | S | * | * | | | trans | -121.7 | 177.5 | -169.7 | 44.8 | -32.9 | 0 | 0 | 0 | 115.8 | | |
| 148 | S | 35.7 | Very low | 34.6 | Very low | 134 Ų | 134 | 123.6 Ų | 123.6 | 94% | 0.937 | 79% | 0.787 | S | S | * | * | | | trans | -166.1 | 149.4 | 157 | -82.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 149 | G | 35.8 | Very low | 34.1 | Very low | 80 Ų | 80 | 123.3 Ų | 123.3 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | | | trans | 139.3 | 105.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 150 | M | 32.5 | Very low | 33.7 | Very low | 158 Ų | 158 | 125.9 Ų | 125.9 | 78% | 0.778 | 79% | 0.785 | S | S | * | * | | | trans | -112 | 165.5 | -179.1 | -78.9 | -83.5 | -70.9 | 0 | 0 | 112.4 | | |
| 151 | Y | 33.6 | Very low | 33.1 | Very low | 208 Ų | 208 | 126 Ų | 126 | 82% | 0.816 | 77% | 0.773 | S | S | * | * | | | trans | 80.5 | 102.2 | 162.2 | -75.2 | -72.9 | 0 | 0 | 0 | 120.9 | | |
| 152 | F | 28.8 | Very low | 32.8 | Very low | 193 Ų | 193 | 133.3 Ų | 133.3 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | | | trans | -48 | 174.4 | 136.4 | -78.8 | -83.6 | 0 | 0 | 0 | 114 | | |
| 153 | P | 38.3 | Very low | 32.4 | Very low | 107 Ų | 107 | 136.3 Ų | 136.3 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | | | cis | -132.4 | -174.4 | -18 | 29.3 | -8.8 | 0 | 0 | 0 | 113.1 | | |
| 154 | T | 28.8 | Very low | 32.3 | Very low | 133 Ų | 133 | 133.8 Ų | 133.8 | 82% | 0.816 | 78% | 0.778 | S | S | * | * | | | trans | 140 | 149.4 | 130.9 | -57.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 155 | A | 32 | Very low | 32 | Very low | 94 Ų | 94 | 133 Ų | 133 | 78% | 0.777 | 78% | 0.777 | S | S | * | * | | | trans | 91 | 124.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 156 | A | 28.7 | Very low | 31.8 | Very low | 92 Ų | 92 | 135.4 Ų | 135.4 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | | | trans | -84.3 | -171.6 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 157 | P | 37.5 | Very low | 31.8 | Very low | 108 Ų | 108 | 134.7 Ų | 134.7 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | | | cis | -143.1 | -168.1 | 8.1 | 43.5 | -23.7 | 0 | 0 | 0 | 116.1 | | |
| 158 | S | 31.4 | Very low | 31.9 | Very low | 98 Ų | 98 | 135.1 Ų | 135.1 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | | | trans | 76.2 | 136.6 | 147.6 | 70.5 | 0 | 0 | 0 | 0 | 121 | | |
| 159 | N | 27.5 | Very low | 31.7 | Very low | 148 Ų | 148 | 134.7 Ų | 134.7 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | | | trans | 11.4 | 130.3 | 145.1 | -52.3 | -17.7 | 0 | 0 | 0 | 117.2 | | |
| 160 | T | 29.7 | Very low | 31.5 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | | | | -170.6 | 163.9 | 79.8 | -67.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 161 | S | 27.4 | Very low | 31.4 | Very low | 90 Ų | 90 | 134 Ų | 134 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | | | trans | -71.2 | 144.7 | -176.6 | 56 | 0 | 0 | 0 | 0 | 116.6 | | |
| 162 | R | 30.6 | Very low | 31.1 | Very low | 232 Ų | 232 | 129 Ų | 129 | 88% | 0.875 | 76% | 0.764 | S | S | * | * | | | | 169.8 | 127.1 | 123.6 | -85.6 | 152.4 | -164.2 | -156.6 | 4.1 | 108.5 | | |
| 163 | F | 25.9 | Very low | 31.2 | Very low | 190 Ų | 190 | 125.7 Ų | 125.7 | 83% | 0.833 | 76% | 0.76 | S | S | * | * | | | | 68.6 | 140 | 65.7 | -104.2 | -77.8 | 0 | 0 | 0 | 115.6 | | |
| 164 | C | 31.5 | Very low | 30.9 | Very low | 113 Ų | 113 | 125.5 Ų | 125.5 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | | | trans | 71.8 | 103.9 | -175.3 | -56.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 165 | S | 28.4 | Very low | 31 | Very low | 102 Ų | 102 | 123 Ų | 123 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | | | | 77 | 121.4 | 53.5 | -55 | 0 | 0 | 0 | 0 | 113.9 | | |
| 166 | N | 34 | Very low | 31 | Very low | 158 Ų | 158 | 123.4 Ų | 123.4 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | | | | 173.4 | 102.5 | 128.9 | -84.7 | -13.2 | 0 | 0 | 0 | 111.6 | | |
| 167 | D | 31.7 | Very low | 31.4 | Very low | 150 Ų | 150 | 123.2 Ų | 123.2 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | | | trans | -76.9 | 157.3 | 155.2 | -84.1 | -26.9 | 0 | 0 | 0 | 109.8 | | |
| 168 | P | 39.3 | Very low | 31.2 | Very low | 116 Ų | 116 | 123.9 Ų | 123.9 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | | | trans | -142.2 | 121 | 130.2 | 33.5 | -18.1 | 0 | 0 | 0 | 115.9 | | |
| 169 | V | 32 | Very low | 31.3 | Very low | 124 Ų | 124 | 124.1 Ų | 124.1 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | | | | 37.9 | 124.3 | 127 | -172.3 | 0 | 0 | 0 | 0 | 120.3 | M171 | V169-M171 HydrophobicContact CG1-CG 4.26Š|
| 170 | G | 32.3 | Very low | 31.5 | Very low | 70 Ų | 70 | 127.2 Ų | 127.2 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | | | trans | 162 | 71.1 | 160.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 171 | M | 29.3 | Very low | 31.6 | Very low | 154 Ų | 154 | 123.8 Ų | 123.8 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | | | | 80 | 112.8 | 84.4 | -72.7 | -101.8 | 77.5 | 0 | 0 | 116.1 | V169 | V169-M171 HydrophobicContact CG1-CG 4.26Š|
| 172 | C | 29 | Very low | 31.8 | Very low | 103 Ų | 103 | 126.7 Ų | 126.7 | 70% | 0.696 | 78% | 0.78 | S | S | * | * | | | trans | 66.7 | 152.5 | 150.1 | -61 | 0 | 0 | 0 | 0 | 119.1 | | |
| 173 | T | 30.4 | Very low | 31.8 | Very low | 124 Ų | 124 | 122.7 Ų | 122.7 | 76% | 0.761 | 78% | 0.776 | S | S | * | * | | | cis | -158.9 | 126.9 | -16 | 15.8 | 0 | 0 | 0 | 0 | 106.7 | | |
| 174 | A | 31.4 | Very low | 32 | Very low | 103 Ų | 103 | 117.8 Ų | 117.8 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | | | | 71 | 120.8 | 88.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 175 | G | 30.2 | Very low | 32 | Very low | 80 Ų | 80 | 118.3 Ų | 118.3 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | | | trans | 150.4 | 143.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 176 | A | 32 | Very low | 32.1 | Very low | 103 Ų | 103 | 119.2 Ų | 119.2 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | | | cis | -177.4 | 156.1 | -18.1 | 0 | 0 | 0 | 0 | 0 | 104.8 | | |
| 177 | A | 37.6 | Very low | 32.1 | Very low | 88 Ų | 88 | 118.9 Ų | 118.9 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | -84.2 | -177.2 | -173 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 178 | P | 34.5 | Very low | 32.1 | Very low | 121 Ų | 121 | 117.9 Ų | 117.9 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | | | | -127 | 169.2 | 120.6 | 37.5 | -33.2 | 0 | 0 | 0 | 113.6 | | |
| 179 | S | 32.3 | Very low | 31.6 | Very low | 103 Ų | 103 | 117.2 Ų | 117.2 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | | | trans | -142.7 | 134.4 | 177.4 | -53.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 180 | F | 32.2 | Very low | 31.6 | Very low | 214 Ų | 214 | 120.6 Ų | 120.6 | 94% | 0.939 | 76% | 0.764 | S | S | * | * | | | trans | -152.8 | 152.9 | 165.6 | -70.9 | -78.9 | 0 | 0 | 0 | 107.9 | | |
| 181 | G | 31.7 | Very low | 31.4 | Very low | 62 Ų | 62 | 121.3 Ų | 121.3 | 64% | 0.639 | 76% | 0.763 | S | S | * | * | | | cis | 170 | 119.9 | -9.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 182 | I | 30.6 | Very low | 31.5 | Very low | 150 Ų | 150 | 118.9 Ų | 118.9 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | | | trans | 49.9 | 121.1 | 147.5 | -26.4 | 179 | 0 | 0 | 0 | 120.1 | | |
| 183 | N | 32 | Very low | 31.4 | Very low | 148 Ų | 148 | 119 Ų | 119 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | | | | 174.8 | 131.3 | 121.5 | -84.1 | -35.7 | 0 | 0 | 0 | 109.6 | | |
| 184 | S | 29.9 | Very low | 31.3 | Very low | 87 Ų | 87 | 122 Ų | 122 | 61% | 0.608 | 77% | 0.773 | S | S | * | * | | | | 76.7 | 130.6 | 50.5 | -58.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 185 | T | 31.5 | Very low | 31.2 | Very low | 124 Ų | 124 | 124.5 Ų | 124.5 | 76% | 0.761 | 78% | 0.777 | S | S | * | * | | | cis | -171.4 | 166.6 | 8.3 | 7.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 186 | V | 30.6 | Very low | 31.1 | Very low | 122 Ų | 122 | 125.2 Ų | 125.2 | 74% | 0.739 | 78% | 0.775 | S | S | * | * | | | trans | 82 | 150.7 | 140.2 | 156.6 | 0 | 0 | 0 | 0 | 121 | | |
| 187 | L | 34.5 | Very low | 30.9 | Very low | 151 Ų | 151 | 129.1 Ų | 129.1 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | | | trans | 73.3 | 135.6 | 176.3 | -66.7 | 147.6 | 0 | 0 | 0 | 118.6 | | |
| 188 | D | 30.3 | Very low | 30.6 | Very low | 128 Ų | 128 | 130.2 Ų | 130.2 | 68% | 0.684 | 79% | 0.785 | S | S | * | * | | | cis | -157.5 | 158.9 | -37.8 | -137.8 | -30 | 0 | 0 | 0 | 113.8 | Q190 | D188-Q190 PolarHBondContact O-N 3.06Š|
| 189 | S | 30 | Very low | 30.2 | Very low | 102 Ų | 102 | 128.6 Ų | 128.6 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | | | trans | -6.6 | 97.6 | 152.4 | -53.9 | 0 | 0 | 0 | 0 | 119 | | |
| 190 | Q | 31.2 | Very low | 30 | Very low | 195 Ų | 195 | 130.3 Ų | 130.3 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | | | trans | -143.5 | 66.5 | 132.4 | -133.4 | 174.5 | 57.9 | 0 | 0 | 112.4 | D188 | D188-Q190 PolarHBondContact O-N 3.06Š|
| 191 | A | 28.7 | Very low | 29.8 | Very low | 86 Ų | 86 | 128.6 Ų | 128.6 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | | | trans | -84.7 | 161.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 192 | A | 30.5 | Very low | 30 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | | | trans | 71.2 | 46.9 | 153.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 193 | T | 27.3 | Very low | 30 | Very low | 107 Ų | 107 | 130.8 Ų | 130.8 | 66% | 0.656 | 80% | 0.8 | S | S | * | * | | | trans | -142.5 | 61.7 | 164.8 | 0.2 | 0 | 0 | 0 | 0 | 115 | | |
| 194 | M | 28 | Very low | 30 | Very low | 187 Ų | 187 | 132 Ų | 132 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -156.3 | 19.2 | 166.6 | -130.5 | 179.3 | -68.9 | 0 | 0 | 118.1 | | |
| 195 | V | 30.6 | Very low | 29.8 | Very low | 154 Ų | 154 | 133.1 Ų | 133.1 | 93% | 0.933 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -123.3 | -7.3 | 179.1 | -179.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 196 | A | 27.8 | Very low | 29.7 | Very low | 95 Ų | 95 | 131.7 Ų | 131.7 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -149 | 63.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 197 | Q | 26.3 | Very low | 29.6 | Very low | 186 Ų | 186 | 131.2 Ų | 131.2 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | | | trans | -157.3 | 59.2 | 170.4 | -121.8 | 171.6 | 30.6 | 0 | 0 | 113.3 | | |
| 198 | A | 32 | Very low | 29.5 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -144.2 | 21.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 199 | A | 27.3 | Very low | 29.4 | Very low | 88 Ų | 88 | 131.7 Ų | 131.7 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -130.7 | 138.2 | 175 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 200 | V | 26.5 | Very low | 29.5 | Very low | 138 Ų | 138 | 136.9 Ų | 136.9 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 62.9 | 82.7 | 177.6 | -165.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 201 | L | 28.6 | Very low | 29.5 | Very low | 178 Ų | 178 | 130.6 Ų | 130.6 | 93% | 0.932 | 79% | 0.789 | S | S | * | * | | | trans | 176.4 | 84.8 | 131.2 | -97 | 165.7 | 0 | 0 | 0 | 112.2 | | |
| 202 | A | 35.1 | Very low | 29.8 | Very low | 101 Ų | 101 | 131.1 Ų | 131.1 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | | | trans | -152.8 | 25.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | H204 | A202-H204 PolarHBondContact O-N 3.01Š|
| 203 | N | 31.3 | Very low | 30 | Very low | 157 Ų | 157 | 129.9 Ų | 129.9 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | | | trans | -74.9 | 103 | 164.8 | -101.1 | -22.7 | 0 | 0 | 0 | 108.2 | | |
| 204 | H | 31.5 | Very low | 30.5 | Very low | 175 Ų | 175 | 129.8 Ų | 129.8 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | | | trans | -165.7 | 123.1 | 155.1 | -103.6 | -65.9 | 0 | 0 | 0 | 113.1 | A202 | A202-H204 PolarHBondContact O-N 3.01Š|
| 205 | C | 26.6 | Very low | 31 | Very low | 110 Ų | 110 | 129.5 Ų | 129.5 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | | | trans | 65.8 | 143.7 | 154.5 | -56 | 0 | 0 | 0 | 0 | 119 | | |
| 206 | S | 28.2 | Very low | 31.2 | Very low | 93 Ų | 93 | 125.7 Ų | 125.7 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | | | cis | -168.2 | 143.5 | -14.4 | -99.9 | 0 | 0 | 0 | 0 | 111 | | |
| 207 | T | 28.5 | Very low | 31.4 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 69% | 0.687 | 78% | 0.781 | S | S | * | * | | | trans | 60.6 | 139.4 | 155.4 | 56.6 | 0 | 0 | 0 | 0 | 118.5 | | |
| 208 | N | 32.5 | Very low | 31.7 | Very low | 135 Ų | 135 | 122.6 Ų | 122.6 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | | | cis | -139.1 | 137 | 25.8 | -78.5 | -72.2 | 0 | 0 | 0 | 110.8 | | |
| 209 | F | 28 | Very low | 31.6 | Very low | 155 Ų | 155 | 125.6 Ų | 125.6 | 68% | 0.68 | 76% | 0.764 | S | S | * | * | | | | 57.2 | 124.6 | 83.6 | -84.4 | -78 | 0 | 0 | 0 | 114.1 | | |
| 210 | Y | 33.3 | Very low | 31.8 | Very low | 210 Ų | 210 | 130.1 Ų | 130.1 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | | | cis | -137.2 | 167.9 | 11.5 | -82.3 | -103.3 | 0 | 0 | 0 | 110.4 | | |
| 211 | G | 31.5 | Very low | 32.1 | Very low | 64 Ų | 64 | 127.4 Ų | 127.4 | 66% | 0.66 | 77% | 0.768 | S | S | * | * | | | cis | 155.1 | 137.8 | -6.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 212 | A | 35.6 | Very low | 32.3 | Very low | 96 Ų | 96 | 122.3 Ų | 122.3 | 79% | 0.793 | 76% | 0.758 | S | S | * | * | | | trans | 65.3 | 141.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 213 | G | 33.6 | Very low | 32.1 | Very low | 77 Ų | 77 | 125.8 Ų | 125.8 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | | | cis | 125.8 | 123.7 | -10.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 214 | S | 37.1 | Very low | 32.4 | Very low | 105 Ų | 105 | 123 Ų | 123 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | | | trans | -158.8 | 130.7 | 163.4 | -179.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 215 | H | 39.7 | Very low | 32.5 | Very low | 181 Ų | 181 | 120.3 Ų | 120.3 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | | | trans | -13.9 | 151.8 | 156.7 | -39 | -75.1 | 0 | 0 | 0 | 118.8 | | |
| 216 | G | 34 | Very low | 32.7 | Very low | 73 Ų | 73 | 119.2 Ų | 119.2 | 75% | 0.753 | 72% | 0.724 | S | S | * | * | | | cis | 169.3 | -172.2 | 3.5 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 217 | S | 31.5 | Very low | 32.8 | Very low | 109 Ų | 109 | 119.2 Ų | 119.2 | 76% | 0.762 | 72% | 0.716 | S | S | * | * | | | trans | -53.9 | 172.2 | -178 | 60.9 | 0 | 0 | 0 | 0 | 115.4 | | |
| 218 | T | 33.4 | Very low | 33 | Very low | 108 Ų | 108 | 121.7 Ų | 121.7 | 66% | 0.663 | 73% | 0.725 | S | S | * | * | | | cis | -170.6 | 148.1 | 36.5 | -22.9 | 0 | 0 | 0 | 0 | 113 | | |
| 219 | F | 31 | Very low | 33 | Very low | 172 Ų | 172 | 118.5 Ų | 118.5 | 75% | 0.754 | 72% | 0.718 | S | S | * | * | | | trans | 61.1 | 134.3 | 140.9 | -90.1 | -137.9 | 0 | 0 | 0 | 124 | | |
| 220 | F | 31.2 | Very low | 33.4 | Very low | 183 Ų | 183 | 119.2 Ų | 119.2 | 80% | 0.803 | 73% | 0.725 | S | S | * | * | | | trans | 55.5 | 103.9 | 138 | -82.5 | -112.3 | 0 | 0 | 0 | 121.2 | | |
| 221 | G | 32 | Very low | 33.3 | Very low | 82 Ų | 82 | 117.1 Ų | 117.1 | 85% | 0.845 | 72% | 0.722 | S | S | * | * | | | | 92.4 | 146.8 | 109.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 222 | G | 32.1 | Very low | 33.5 | Very low | 70 Ų | 70 | 118.7 Ų | 118.7 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | | | trans | 110.4 | 84.1 | 156.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 223 | L | 32.7 | Very low | 33.1 | Very low | 174 Ų | 174 | 119 Ų | 119 | 91% | 0.911 | 72% | 0.718 | S | S | * | * | | | trans | 66.2 | 158.2 | 138.2 | -67.5 | 162.7 | 0 | 0 | 0 | 119.9 | | |
| 224 | P | 35.8 | Very low | 32.8 | Very low | 99 Ų | 99 | 122.9 Ų | 122.9 | 64% | 0.643 | 72% | 0.717 | S | S | * | * | | | trans | -98.4 | -169.2 | -174.9 | 40.9 | -37.9 | 0 | 0 | 0 | 113.2 | | |
| 225 | H | 33.4 | Very low | 32.4 | Very low | 118 Ų | 118 | 121.6 Ų | 121.6 | 55% | 0.546 | 71% | 0.713 | S | S | . | * | | | trans | 103.9 | 78.8 | 156.9 | -71.2 | 4.2 | 0 | 0 | 0 | 119.8 | L83 | L83-H225 HydrophobicContact CD1-CB 3.74Å; L83-H225 HydrophobicContact CD2-CB 4.46Å; L83-H225 WeakPolarHBondContact CD2-CD2 3.32Å; L83-H225 WeakPolarHBondContact CD2-NE2 3.46Å |
| 226 | Q | 32 | Very low | 31.8 | Very low | 88 Ų | 88 | 120.6 Ų | 120.6 | 41% | 0.411 | 71% | 0.713 | S | S | . | * | | | | 52.7 | 144.7 | 124.5 | -55.7 | -168.2 | 40.1 | 0 | 0 | 123.6 | P82 L83 N228 | P82-Q226 VanDerWaalsContact CD-OE1 3.28Å; P82-Q226 PolarHBondContact O-OE1 2.87Å; L83-Q226 HydrophobicContact CD1-CB 3.72Å; L83-Q226 HydrophobicContact CD1-CG 4.17Å; L83-Q226 HydrophobicContact CG-CB 4.24Å; L83-Q226 HydrophobicContact CG-CG 4.3Å; Q226-N228 PolarHBondContact O-N 2.92Å |
| 227 | N | 30.5 | Very low | 31.4 | Very low | 93 Ų | 93 | 121.2 Ų | 121.2 | 50% | 0.497 | 71% | 0.711 | S | S | . | * | | | trans | 46.3 | 70.3 | 133.7 | -60.7 | -45.7 | 0 | 0 | 0 | 118.8 | S81 | S81-N227 VanDerWaalsContact CB-ND2 3.32Å; S81-N227 WeakPolarHBondContact CB-ND2 3.5Å; S81-N227 PolarHBondContact OG-ND2 3.44Å |
| 228 | N | 32 | Very low | 31.4 | Very low | 163 Ų | 163 | 121.2 Ų | 121.2 | 87% | 0.872 | 71% | 0.711 | S | S | * | * | | | | -133.6 | 155.8 | 124.7 | -85.7 | -66.2 | 0 | 0 | 0 | 107.6 | Q226 | Q226-N228 PolarHBondContact O-N 2.92Š|
| 229 | A | 32 | Very low | 31.3 | Very low | 69 Ų | 69 | 125.1 Ų | 125.1 | 57% | 0.57 | 72% | 0.719 | S | S | * | * | | | cis | 178.8 | 159.5 | -25.1 | 0 | 0 | 0 | 0 | 0 | 104.7 | | |
| 230 | M | 37.7 | Very low | 31.2 | Very low | 169 Ų | 169 | 121.7 Ų | 121.7 | 83% | 0.833 | 71% | 0.713 | S | S | * | * | | | trans | 64.1 | 150.1 | 171.2 | -53.5 | -63.6 | 176.4 | 0 | 0 | 115.7 | | |
| 231 | H | 29.7 | Very low | 31 | Very low | 166 Ų | 166 | 123.6 Ų | 123.6 | 77% | 0.769 | 72% | 0.715 | S | S | * | * | | | cis | -149.5 | 157.3 | -36.6 | -144.9 | -126.1 | 0 | 0 | 0 | 106.8 | | |
| 232 | P | 36 | Very low | 30.8 | Very low | 98 Ų | 98 | 127.3 Ų | 127.3 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | | | trans | -86.5 | -160.9 | -177.3 | 38.4 | -37.2 | 0 | 0 | 0 | 111.3 | | |
| 233 | S | 27.5 | Very low | 30.9 | Very low | 103 Ų | 103 | 128.6 Ų | 128.6 | 72% | 0.72 | 71% | 0.709 | S | S | * | * | | | trans | 76.3 | 146.9 | 176.8 | -67.1 | 0 | 0 | 0 | 0 | 115 | | |
| 234 | M | 27.5 | Very low | 31 | Very low | 157 Ų | 157 | 125.5 Ų | 125.5 | 77% | 0.773 | 70% | 0.699 | S | S | * | * | | | cis | -141.6 | 157.9 | -5.5 | -119.8 | -175.7 | -62.7 | 0 | 0 | 107.5 | | |
| 235 | A | 28.6 | Very low | 30.5 | Very low | 79 Ų | 79 | 126.1 Ų | 126.1 | 65% | 0.653 | 71% | 0.705 | S | S | * | * | | | | 37.3 | 131 | 88.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 236 | L | 26.8 | Very low | 30.2 | Very low | 160 Ų | 160 | 128.2 Ų | 128.2 | 84% | 0.838 | 72% | 0.719 | S | S | * | * | | | cis | -154.5 | -173.6 | 43.5 | -87 | 156.9 | 0 | 0 | 0 | 110.5 | | |
| 237 | A | 26.3 | Very low | 30 | Very low | 85 Ų | 85 | 127.5 Ų | 127.5 | 70% | 0.702 | 74% | 0.735 | S | S | * | * | | | trans | 19.9 | 131.3 | 151.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 238 | S | 30.4 | Very low | 29.8 | Very low | 110 Ų | 110 | 128.7 Ų | 128.7 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | | | | -164.2 | 159.3 | 64.2 | -67.9 | 0 | 0 | 0 | 0 | 114 | | |
| 239 | K | 31.7 | Very low | 29.6 | Very low | 190 Ų | 190 | 126.5 Ų | 126.5 | 83% | 0.826 | 74% | 0.743 | S | S | * | * | | | trans | -81.2 | 139.2 | 157.1 | -65.2 | 165.6 | -176.1 | 163.2 | 0 | 107.5 | | |
| 240 | P | 28.7 | Very low | 29.2 | Very low | 99 Ų | 99 | 127.8 Ų | 127.8 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | | | | -113.2 | 168.6 | 88.4 | -9 | 28.2 | 0 | 0 | 0 | 112 | | |
| 241 | R | 27 | Very low | 28.8 | Very low | 224 Ų | 224 | 126 Ų | 126 | 85% | 0.845 | 75% | 0.746 | S | S | * | * | | | cis | 80 | 18.3 | -3.6 | -128.3 | -175.9 | -168.8 | -121.1 | -1.1 | 121.3 | | |
| 242 | Q | 28.6 | Very low | 28.6 | Very low | 160 Ų | 160 | 123.4 Ų | 123.4 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | | | trans | -145.6 | 147.9 | 151.4 | -74.6 | 106.4 | -91.5 | 0 | 0 | 109.6 | | |
| 243 | S | 33.6 | Very low | 28.3 | Very low | 97 Ų | 97 | 126.1 Ų | 126.1 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | | | cis | 60.4 | 149 | -23.3 | 72.9 | 0 | 0 | 0 | 0 | 121.5 | | |
| 244 | P | 34.7 | Very low | 28.4 | Very low | 109 Ų | 109 | 129.3 Ų | 129.3 | 71% | 0.708 | 75% | 0.749 | S | S | * | * | | | cis | -130.3 | -174.1 | -5.7 | 42.4 | -26.3 | 0 | 0 | 0 | 114.4 | | |
| 245 | C | 26 | Very low | 28.6 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 76% | 0.757 | 75% | 0.748 | S | S | * | * | | | trans | 73.3 | 161.4 | 153.9 | -61.2 | 0 | 0 | 0 | 0 | 121.7 | | |
| 246 | L | 26.3 | Very low | 29 | Very low | 161 Ų | 161 | 131.9 Ų | 131.9 | 84% | 0.843 | 76% | 0.756 | S | S | * | * | | | trans | 85.2 | 151.2 | 159.3 | -49.5 | -172 | 0 | 0 | 0 | 119.8 | V248 | L246-V248 HydrophobicContact CB-CG2 4.48Å; L246-V248 HydrophobicContact CD2-CG2 4.17Å |
| 247 | G | 28.1 | Very low | 29.4 | Very low | 74 Ų | 74 | 130.5 Ų | 130.5 | 76% | 0.763 | 75% | 0.745 | S | S | * | * | | | trans | 95 | 65.6 | -167 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 248 | V | 25.8 | Very low | 30 | Very low | 117 Ų | 117 | 128.7 Ų | 128.7 | 71% | 0.709 | 72% | 0.722 | S | S | * | * | | | cis | 64.9 | 80.7 | 36.8 | -171.8 | 0 | 0 | 0 | 0 | 113.5 | L246 | L246-V248 HydrophobicContact CB-CG2 4.48Å; L246-V248 HydrophobicContact CD2-CG2 4.17Å |
| 249 | S | 28.2 | Very low | 30.2 | Very low | 117 Ų | 117 | 129.8 Ų | 129.8 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | | | | -133.3 | 131 | 129.2 | -79.4 | 0 | 0 | 0 | 0 | 105.7 | | |
| 250 | S | 24.9 | Very low | 30.5 | Very low | 97 Ų | 97 | 125.2 Ų | 125.2 | 68% | 0.678 | 70% | 0.703 | S | S | * | * | | | cis | 72.5 | 145.6 | 39.7 | -159.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 251 | V | 28 | Very low | 30.7 | Very low | 130 Ų | 130 | 124.4 Ų | 124.4 | 79% | 0.788 | 69% | 0.69 | S | S | * | * | | | trans | 64.1 | 93.7 | -163.4 | -168 | 0 | 0 | 0 | 0 | 110 | | |
| 252 | V | 26.3 | Very low | 31.4 | Very low | 113 Ų | 113 | 122 Ų | 122 | 69% | 0.685 | 69% | 0.688 | S | S | * | * | | | cis | 54.6 | 94 | 42.1 | -164.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 253 | H | 28.9 | Very low | 32.1 | Very low | 155 Ų | 155 | 121.7 Ų | 121.7 | 72% | 0.718 | 69% | 0.687 | S | S | * | * | | | | 179.1 | 123.1 | 126.2 | -97.3 | 71.5 | 0 | 0 | 0 | 111.9 | | |
| 254 | H | 30.3 | Very low | 32.6 | Very low | 170 Ų | 170 | 123.7 Ų | 123.7 | 79% | 0.787 | 69% | 0.686 | S | S | * | * | | | trans | 68 | 144.4 | 141.1 | -68.9 | 58.8 | 0 | 0 | 0 | 123.4 | | |
| 255 | H | 31.1 | Very low | 32.8 | Very low | 161 Ų | 161 | 122.3 Ų | 122.3 | 75% | 0.745 | 68% | 0.684 | S | S | * | * | | | trans | -61.2 | 167.5 | 159.1 | -89.6 | 21.5 | 0 | 0 | 0 | 112.2 | | |
| 256 | P | 36.6 | Very low | 33.9 | Very low | 128 Ų | 128 | 120.8 Ų | 120.8 | 83% | 0.831 | 67% | 0.671 | S | S | * | * | | | cis | -147.3 | -168 | 44.4 | 42.8 | -20.7 | 0 | 0 | 0 | 119.4 | | |
| 257 | H | 36.5 | Very low | 35.1 | Very low | 132 Ų | 132 | 119.4 Ų | 119.4 | 61% | 0.611 | 66% | 0.66 | S | S | * | * | | | trans | -81 | 167.4 | -165.2 | -90.5 | -84.6 | 0 | 0 | 0 | 118.7 | S1403 | H257-S1403 PolarHBondContact ND1-O 2.85Š|
| 258 | H | 38.5 | Very low | 36.1 | Very low | 46 Ų | 46 | 122.3 Ų | 122.3 | 21% | 0.213 | 65% | 0.654 | C | S | . | * | | | trans | 55.9 | 173.9 | 158.2 | -110.2 | -24.4 | 0 | 0 | 0 | 117.3 | D1401 F1402 S1403 | H258-D1401 PolarHBondContact CD2-O 3.48Å; H258-D1401 WeakPolarHBondContact NE2-CB 3.48Å; H258-D1401 VanDerWaalsContact NE2-CG 3.33Å; H258-D1401 IonicContact NE2-OD1 3.79Å; H258-D1401 IonicContact NE2-OD2 2.73Å; H258-D1401 PolarHBondContact NE2-OD2 2.99Å; H258-F1402 VanDerWaalsContact CB-O 3.3Å; H258-F1402 WeakPolarHBondContact CB-O 3.42Å; H258-F1402 WeakPolarHBondContact CD2-CA 3.39Å; H258-F1402 PolarHBondContact CD2-N 3.1Å; H258-F1402 PolarHBondContact CD2-O 3.24Å; H258-F1402 VanDerWaalsContact CE1-CA 3.41Å; H258-F1402 WeakPolarHBondContact CE1-CA 3.35Å; H258-F1402 AromaticContact CE1-CD1 3.96Å; H258-F1402 PolarHBondContact CE1-O 2.89Å; H258-F1402 VanDerWaalsContact CG-CA 3.49Å; H258-F1402 PolarHBondContact ND1-O 3.11Å; H258-F1402 WeakPolarHBondContact NE2-CA 3.43Å; H258-F1402 WeakPolarHBondContact NE2-CB 3.46Å; H258-F1402 PolarHBondContact NE2-N 2.84Å; H258-F1402 PolarHBondContact NE2-O 3.47Å; H258-S1403 WeakPolarHBondContact CA-O 3.33Å; H258-S1403 PolarHBondContact CE1-N 3.33Å; H258-S1403 PolarHBondContact N-O 2.71Å; H258-S1403 VanDerWaalsContact ND1-C 3.29Å; H258-S1403 WeakPolarHBondContact ND1-CA 3.18Å; H258-S1403 WeakPolarHBondContact ND1-CB 3.3Å; H258-S1403 PolarHBondContact ND1-N 3.31Å; H258-S1403 PolarHBondContact ND1-OG 3.38Å; H258-S1403 PolarHBondContact NE2-N 3.36Å |
| 259 | H | 34.8 | Very low | 37.3 | Very low | 134 Ų | 134 | 122.6 Ų | 122.6 | 62% | 0.62 | 65% | 0.648 | S | S | * | * | | | cis | -120.1 | 179.2 | 2.1 | -117.2 | -61.5 | 0 | 0 | 0 | 108.1 | F1402 | H259-F1402 PolarHBondContact CE1-O 3.25Å; H259-F1402 PolarHBondContact ND1-O 3.24Å |
| 260 | V | 37.8 | Very low | 38.6 | Very low | 94 Ų | 94 | 123.3 Ų | 123.3 | 57% | 0.57 | 64% | 0.638 | S | S | * | * | | | cis | -139.4 | 150.1 | 18 | 176.3 | 0 | 0 | 0 | 0 | 109.7 | Q262 | V260-Q262 HydrophobicContact CG1-CB 4.23Š|
| 261 | Q | 33.8 | Very low | 39.9 | Very low | 82 Ų | 82 | 125.3 Ų | 125.3 | 38% | 0.383 | 64% | 0.636 | S | S | . | * | | | trans | -117.2 | 102.5 | 177.1 | 167.5 | 160.3 | -60.1 | 0 | 0 | 111.3 | D1401 | Q261-D1401 PolarHBondContact NE2-OD1 2.89Å; Q261-D1401 PolarHBondContact NE2-OD2 3.05Å |
| 262 | Q | 41 | Very low | 41 | Very low | 172 Ų | 172 | 125 Ų | 125 | 80% | 0.804 | 63% | 0.626 | S | S | * | * | | | trans | -149.5 | 22.4 | -174.7 | -142.5 | -179.4 | 27 | 0 | 0 | 117.1 | V260 | V260-Q262 HydrophobicContact CG1-CB 4.23Š|
| 263 | Q | 42 | Very low | 42.2 | Very low | 155 Ų | 155 | 125 Ų | 125 | 72% | 0.724 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -134.3 | -3.5 | 175.1 | -71.2 | -168.5 | -5.8 | 0 | 0 | 116 | T266 | Q263-T266 PolarHBondContact O-OG1 3.1Š|
| 264 | Q | 44.3 | Very low | 43.3 | Very low | 139 Ų | 139 | 124.2 Ų | 124.2 | 65% | 0.65 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -84.8 | -26 | -177.9 | -72.2 | 179.8 | -18.3 | 0 | 0 | 113.5 | T266 Q267 Q268 | Q264-T266 PolarHBondContact O-N 3.22Å; Q264-Q267 PolarHBondContact O-N 3.01Å; Q264-Q268 PolarHBondContact O-N 3.02Å |
| 265 | A | 39.9 | Very low | 44.3 | Very low | 80 Ų | 80 | 123.4 Ų | 123.4 | 66% | 0.661 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -61.2 | -44 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q267 Q268 Q269 | A265-Q267 PolarHBondContact O-N 3.02Å; A265-Q268 PolarHBondContact O-N 2.92Å; A265-Q269 PolarHBondContact O-N 3.24Å; A265-Q269 VanDerWaalsContact O-N 3.1Å |
| 266 | T | 49.2 | Very low | 45 | Very low | 79 Ų | 79 | 122.1 Ų | 122.1 | 49% | 0.485 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -70.2 | -28.3 | -177.4 | 17.8 | 0 | 0 | 0 | 0 | 113.8 | Q263 Q264 Q270 | Q263-T266 PolarHBondContact O-OG1 3.1Å; Q264-T266 PolarHBondContact O-N 3.22Å; T266-Q270 WeakPolarHBondContact O-CG 3.33Å; T266-Q270 PolarHBondContact O-N 3.49Å |
| 267 | Q | 51.6 | Low | 45.4 | Very low | 133 Ų | 133 | 123 Ų | 123 | 62% | 0.621 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -76 | -37.7 | 176.1 | -71.3 | -169.5 | -3.3 | 0 | 0 | 112.6 | Q264 A265 Q270 Q271 | Q264-Q267 PolarHBondContact O-N 3.01Å; A265-Q267 PolarHBondContact O-N 3.02Å; Q267-Q270 PolarHBondContact O-N 3.22Å; Q267-Q271 PolarHBondContact O-N 2.93Å |
| 268 | Q | 49.6 | Very low | 45.7 | Very low | 135 Ų | 135 | 124.2 Ų | 124.2 | 63% | 0.631 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67.9 | -36.7 | 173.1 | -70.2 | -172.8 | -7.2 | 0 | 0 | 111.7 | Q264 A265 Q271 Q272 | Q264-Q268 PolarHBondContact O-N 3.02Å; A265-Q268 PolarHBondContact O-N 2.92Å; Q268-Q271 PolarHBondContact O-N 2.74Å; Q268-Q272 PolarHBondContact O-N 3.38Å |
| 269 | Q | 50.8 | Low | 45.5 | Very low | 123 Ų | 123 | 126.3 Ų | 126.3 | 58% | 0.575 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -64.6 | -39.2 | 173.8 | -133 | 173.5 | 22.4 | 0 | 0 | 112.4 | A265 Q272 Q273 | A265-Q269 PolarHBondContact O-N 3.24Å; A265-Q269 VanDerWaalsContact O-N 3.1Å; Q269-Q272 PolarHBondContact O-N 3.37Å; Q269-Q273 WeakPolarHBondContact O-CG 3.43Å; Q269-Q273 PolarHBondContact O-N 3.3Å |
| 270 | Q | 53.8 | Low | 45.5 | Very low | 132 Ų | 132 | 123.9 Ų | 123.9 | 62% | 0.617 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68.5 | -37.8 | 174 | -78 | -174.9 | -9 | 0 | 0 | 113.1 | T266 Q267 Q273 Q274 | T266-Q270 WeakPolarHBondContact O-CG 3.33Å; T266-Q270 PolarHBondContact O-N 3.49Å; Q267-Q270 PolarHBondContact O-N 3.22Å; Q270-Q273 PolarHBondContact O-N 3.18Å; Q270-Q274 WeakPolarHBondContact O-CB 3.43Å; Q270-Q274 PolarHBondContact O-N 2.89Å |
| 271 | Q | 52.9 | Low | 45.4 | Very low | 138 Ų | 138 | 128.7 Ų | 128.7 | 65% | 0.645 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -66.3 | -39 | 174.4 | -77.4 | -172 | -18.9 | 0 | 0 | 112.3 | Q267 Q268 Q274 Q275 | Q267-Q271 PolarHBondContact O-N 2.93Å; Q268-Q271 PolarHBondContact O-N 2.74Å; Q271-Q274 PolarHBondContact O-N 2.99Å; Q271-Q275 WeakPolarHBondContact O-CB 3.23Å; Q271-Q275 PolarHBondContact O-N 3.29Å |
| 272 | Q | 51.4 | Low | 45 | Very low | 124 Ų | 124 | 130 Ų | 130 | 58% | 0.579 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -68.3 | -39.3 | 174.9 | -72 | -175.2 | -1.6 | 0 | 0 | 112.6 | Q268 Q269 Q274 Q275 Q276 | Q268-Q272 PolarHBondContact O-N 3.38Å; Q269-Q272 PolarHBondContact O-N 3.37Å; Q272-Q274 VanDerWaalsContact C-N 3.34Å; Q272-Q274 PolarHBondContact O-N 2.77Å; Q272-Q275 PolarHBondContact O-N 3.03Å; Q272-Q276 WeakPolarHBondContact O-CG 3.39Å; Q272-Q276 PolarHBondContact O-N 2.96Å |
| 273 | Q | 52 | Low | 44.3 | Very low | 112 Ų | 112 | 129.4 Ų | 129.4 | 52% | 0.523 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -63.1 | -38.8 | 172.6 | -76.3 | -176.7 | -6 | 0 | 0 | 112.5 | Q269 Q270 Q275 Q276 Q277 | Q269-Q273 WeakPolarHBondContact O-CG 3.43Å; Q269-Q273 PolarHBondContact O-N 3.3Å; Q270-Q273 PolarHBondContact O-N 3.18Å; Q273-Q275 VanDerWaalsContact C-N 3.31Å; Q273-Q275 PolarHBondContact O-N 3.43Å; Q273-Q276 PolarHBondContact O-N 3.43Å; Q273-Q277 WeakPolarHBondContact O-CG 3.37Å; Q273-Q277 PolarHBondContact O-N 3.48Å |
| 274 | Q | 52 | Low | 43.6 | Very low | 140 Ų | 140 | 130.3 Ų | 130.3 | 65% | 0.654 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -69.1 | -28.8 | 176.8 | -170.4 | 162.3 | 77.4 | 0 | 0 | 112.6 | Q270 Q271 Q272 | Q270-Q274 WeakPolarHBondContact O-CB 3.43Å; Q270-Q274 PolarHBondContact O-N 2.89Å; Q271-Q274 PolarHBondContact O-N 2.99Å; Q272-Q274 VanDerWaalsContact C-N 3.34Å; Q272-Q274 PolarHBondContact O-N 2.77Å |
| 275 | Q | 50 | Low | 42.8 | Very low | 152 Ų | 152 | 128.3 Ų | 128.3 | 71% | 0.71 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -82 | -27.3 | 177.2 | -155.7 | 157.2 | 76.3 | 0 | 0 | 112.9 | Q271 Q272 Q273 | Q271-Q275 WeakPolarHBondContact O-CB 3.23Å; Q271-Q275 PolarHBondContact O-N 3.29Å; Q272-Q275 PolarHBondContact O-N 3.03Å; Q273-Q275 VanDerWaalsContact C-N 3.31Å; Q273-Q275 PolarHBondContact O-N 3.43Å |
| 276 | Q | 46.6 | Very low | 42.2 | Very low | 134 Ų | 134 | 132.1 Ų | 132.1 | 63% | 0.626 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -75.3 | -26.1 | 173.5 | -72.8 | 178.2 | 1.2 | 0 | 0 | 113.6 | Q272 Q273 L278 A279 S280 | Q272-Q276 WeakPolarHBondContact O-CG 3.39Å; Q272-Q276 PolarHBondContact O-N 2.96Å; Q273-Q276 PolarHBondContact O-N 3.43Å; Q276-L278 VanDerWaalsContact C-N 3.28Å; Q276-L278 PolarHBondContact O-N 3.17Å; Q276-A279 PolarHBondContact O-N 3.41Å; Q276-S280 PolarHBondContact O-OG 3.07Å |
| 277 | Q | 44.7 | Very low | 41.1 | Very low | 146 Ų | 146 | 134.7 Ų | 134.7 | 68% | 0.682 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -13.6 | 177 | -72.9 | 176.8 | 12.9 | 0 | 0 | 114.4 | Q273 | Q273-Q277 WeakPolarHBondContact O-CG 3.37Å; Q273-Q277 PolarHBondContact O-N 3.48Å |
| 278 | L | 43 | Very low | 39.9 | Very low | 158 Ų | 158 | 132.2 Ų | 132.2 | 83% | 0.827 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | -6 | 177.5 | -78.6 | 162.7 | 0 | 0 | 0 | 113.9 | Q276 | Q276-L278 VanDerWaalsContact C-N 3.28Å; Q276-L278 PolarHBondContact O-N 3.17Å |
| 279 | A | 35 | Very low | 39 | Very low | 91 Ų | 91 | 131.7 Ų | 131.7 | 75% | 0.752 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -111.5 | 12.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q276 | Q276-A279 PolarHBondContact O-N 3.41Š|
| 280 | S | 34.6 | Very low | 37.9 | Very low | 83 Ų | 83 | 128.8 Ų | 128.8 | 58% | 0.58 | 72% | 0.715 | S | S | * | * | | | trans | -136 | 31.5 | -165.2 | 52.7 | 0 | 0 | 0 | 0 | 115 | Q276 | Q276-S280 PolarHBondContact O-OG 3.07Š|
| 281 | Q | 35.2 | Very low | 36.8 | Very low | 195 Ų | 195 | 131.1 Ų | 131.1 | 91% | 0.911 | 73% | 0.727 | S | S | * | * | | | trans | -124.6 | 98.1 | 161.4 | -74.8 | -166.9 | 49.1 | 0 | 0 | 111.1 | | |
| 282 | S | 26.7 | Very low | 35.7 | Very low | 109 Ų | 109 | 128.3 Ų | 128.3 | 76% | 0.762 | 73% | 0.728 | S | S | * | * | | | trans | -145.7 | 134.4 | 171 | -176 | 0 | 0 | 0 | 0 | 108.6 | | |
| 283 | M | 25.1 | Very low | 34.6 | Very low | 160 Ų | 160 | 127.2 Ų | 127.2 | 79% | 0.788 | 73% | 0.734 | S | S | * | * | | | trans | 57.2 | 97.5 | 163.9 | -63 | -73.2 | -77.7 | 0 | 0 | 118.6 | | |
| 284 | M | 27.3 | Very low | 33.6 | Very low | 174 Ų | 174 | 129.8 Ų | 129.8 | 86% | 0.857 | 75% | 0.748 | S | S | * | * | | | trans | 177.1 | 106 | 134.2 | -94.9 | 162.1 | -162.9 | 0 | 0 | 107.6 | | |
| 285 | T | 27.8 | Very low | 32.5 | Very low | 96 Ų | 96 | 128.3 Ų | 128.3 | 59% | 0.589 | 75% | 0.748 | S | S | * | * | | | | 71.6 | 151.1 | 70.9 | 63.3 | 0 | 0 | 0 | 0 | 115.2 | | |
| 286 | H | 27.4 | Very low | 31.6 | Very low | 161 Ų | 161 | 128.3 Ų | 128.3 | 75% | 0.745 | 75% | 0.753 | S | S | * | * | | | trans | 78.9 | 140.7 | 175.7 | -41.9 | -71.9 | 0 | 0 | 0 | 117.2 | | |
| 287 | T | 26 | Very low | 31 | Very low | 133 Ų | 133 | 125.6 Ų | 125.6 | 82% | 0.816 | 75% | 0.754 | S | S | * | * | | | cis | -167.2 | 138.1 | -24.4 | 25.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 288 | G | 27.3 | Very low | 30.4 | Very low | 80 Ų | 80 | 124.9 Ų | 124.9 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | | | trans | 74.7 | 170 | 161.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 289 | S | 28.8 | Very low | 29.9 | Very low | 124 Ų | 124 | 123.8 Ų | 123.8 | 87% | 0.867 | 75% | 0.754 | S | S | * | * | | | cis | -165.9 | 149 | -12.1 | -174.1 | 0 | 0 | 0 | 0 | 110 | | |
| 290 | G | 29 | Very low | 29.9 | Very low | 63 Ų | 63 | 124.4 Ų | 124.4 | 65% | 0.649 | 75% | 0.748 | S | S | * | * | | | trans | 130.6 | 84.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 291 | M | 30.6 | Very low | 30 | Very low | 180 Ų | 180 | 126.5 Ų | 126.5 | 89% | 0.887 | 75% | 0.753 | S | S | * | * | | | | 76.5 | 132 | 85.1 | -67.4 | -74.2 | -170.1 | 0 | 0 | 113.8 | | |
| 292 | A | 30.1 | Very low | 29.9 | Very low | 79 Ų | 79 | 124 Ų | 124 | 65% | 0.653 | 75% | 0.746 | S | S | * | * | | | cis | -166.1 | 177.7 | -5 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 293 | S | 28.6 | Very low | 30.4 | Very low | 102 Ų | 102 | 122.4 Ų | 122.4 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | | | trans | 73.3 | 142.8 | 163.4 | -62.6 | 0 | 0 | 0 | 0 | 118.8 | | |
| 294 | M | 29.8 | Very low | 30.8 | Very low | 165 Ų | 165 | 119.2 Ų | 119.2 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | | | cis | -170 | 161.2 | -8.5 | -104.6 | -177 | -174 | 0 | 0 | 107.2 | | |
| 295 | V | 29.9 | Very low | 31 | Very low | 109 Ų | 109 | 117.8 Ų | 117.8 | 66% | 0.661 | 75% | 0.746 | S | S | * | * | | | cis | -149.7 | 139.3 | -3.6 | -104.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 296 | N | 29.6 | Very low | 31.2 | Very low | 152 Ų | 152 | 121.5 Ų | 121.5 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | | | | 35 | 157 | 124.5 | -59 | 10 | 0 | 0 | 0 | 124.2 | | |
| 297 | A | 34.2 | Very low | 31.4 | Very low | 77 Ų | 77 | 120.2 Ų | 120.2 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | | | cis | 177.7 | -167 | -22.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 298 | V | 33.2 | Very low | 31.6 | Very low | 131 Ų | 131 | 117.9 Ų | 117.9 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | | | trans | 92.4 | 140.1 | 158.8 | -171.1 | 0 | 0 | 0 | 0 | 116.6 | | |
| 299 | D | 31.7 | Very low | 32 | Very low | 136 Ų | 136 | 125.2 Ų | 125.2 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | | | cis | 165.2 | 162.8 | -44.6 | -96.9 | 52.6 | 0 | 0 | 0 | 108.8 | | |
| 300 | V | 36.2 | Very low | 32.1 | Very low | 104 Ų | 104 | 124.5 Ų | 124.5 | 63% | 0.63 | 75% | 0.754 | S | S | * | * | | | cis | -175.9 | 172.7 | -25.9 | 69.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 301 | N | 35.9 | Very low | 33 | Very low | 127 Ų | 127 | 126 Ų | 126 | 68% | 0.679 | 75% | 0.752 | S | S | * | * | | | trans | 70.8 | 161.6 | 162.9 | -71.4 | -18.2 | 0 | 0 | 0 | 119.5 | | |
| 302 | N | 33.7 | Very low | 33.1 | Very low | 143 Ų | 143 | 126.1 Ų | 126.1 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | | | cis | -165 | 154.3 | -21.9 | -110.1 | -23.6 | 0 | 0 | 0 | 114.3 | | |
| 303 | G | 37.2 | Very low | 33.2 | Very low | 74 Ų | 74 | 127.3 Ų | 127.3 | 76% | 0.763 | 75% | 0.754 | S | S | * | * | | | trans | 83 | 167 | 146.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 304 | A | 33.3 | Very low | 33.2 | Very low | 94 Ų | 94 | 127.8 Ų | 127.8 | 78% | 0.777 | 76% | 0.757 | S | S | * | * | | | cis | -171.6 | 167 | -19.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 305 | V | 31.2 | Very low | 33.2 | Very low | 143 Ų | 143 | 125.3 Ų | 125.3 | 87% | 0.867 | 75% | 0.751 | S | S | * | * | | | trans | 87 | 134.9 | 158.1 | -166.4 | 0 | 0 | 0 | 0 | 121.5 | | |
| 306 | Q | 31.1 | Very low | 33.2 | Very low | 174 Ų | 174 | 131.2 Ų | 131.2 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | | | trans | -72.2 | 171.2 | -174.1 | -47.8 | 164.6 | 6.2 | 0 | 0 | 116.7 | | |
| 307 | V | 32.7 | Very low | 33.4 | Very low | 135 Ų | 135 | 128.8 Ų | 128.8 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | | -175.3 | 151.3 | 107.3 | 150.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 308 | A | 30.8 | Very low | 33.3 | Very low | 83 Ų | 83 | 133.6 Ų | 133.6 | 69% | 0.686 | 77% | 0.768 | S | S | * | * | | | trans | -104.2 | 174.6 | -164.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 309 | Y | 34.5 | Very low | 33.9 | Very low | 234 Ų | 234 | 132.6 Ų | 132.6 | 92% | 0.918 | 76% | 0.764 | S | S | * | * | | | | -168.8 | 176.5 | 129.4 | -99.2 | -64.5 | 0 | 0 | 0 | 111.9 | | |
| 310 | S | 32.2 | Very low | 34.5 | Very low | 109 Ų | 109 | 131 Ų | 131 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | | | trans | -162.3 | -169.8 | -164.4 | -128.7 | 0 | 0 | 0 | 0 | 110 | | |
| 311 | P | 46.8 | Very low | 34.1 | Very low | 96 Ų | 96 | 136.2 Ų | 136.2 | 62% | 0.623 | 77% | 0.771 | S | S | * | * | | | cis | -137.3 | -162.5 | -26.7 | 40 | -21.1 | 0 | 0 | 0 | 113.3 | | |
| 312 | Q | 32.4 | Very low | 33.9 | Very low | 181 Ų | 181 | 135.3 Ų | 135.3 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | | | trans | 69.9 | 158.5 | 153.8 | -76.7 | 177 | 36 | 0 | 0 | 118.5 | | |
| 313 | S | 31.7 | Very low | 33.7 | Very low | 105 Ų | 105 | 135.3 Ų | 135.3 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | | | cis | -155.9 | 138.7 | -5.6 | 54.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 314 | S | 30.3 | Very low | 33.4 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | | | | 99.2 | 165.2 | 88 | -169 | 0 | 0 | 0 | 0 | 116.2 | | |
| 315 | V | 28.8 | Very low | 33.1 | Very low | 113 Ų | 113 | 138.5 Ų | 138.5 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | | | trans | 85.6 | 108.4 | 159.8 | -166.3 | 0 | 0 | 0 | 0 | 121.5 | | |
| 316 | R | 29.8 | Very low | 33.1 | Very low | 233 Ų | 233 | 140.7 Ų | 140.7 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | | | trans | 64.5 | 163.1 | 147.7 | -71.2 | 176.8 | -177.4 | -174.1 | 0 | 120 | | |
| 317 | S | 33.3 | Very low | 33 | Very low | 102 Ų | 102 | 139.9 Ų | 139.9 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | | | cis | -168 | 140.4 | -24.7 | 51.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 318 | M | 31.9 | Very low | 32.9 | Very low | 178 Ų | 178 | 137.9 Ų | 137.9 | 88% | 0.877 | 75% | 0.754 | S | S | * | * | | | trans | 25.8 | 127.5 | 153.5 | -71.7 | -66.9 | 169.5 | 0 | 0 | 123.2 | | |
| 319 | P | 46.5 | Very low | 33.1 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | | | trans | -91.7 | 172.2 | 154.7 | 39.8 | -34.6 | 0 | 0 | 0 | 112.3 | | |
| 320 | P | 44.2 | Very low | 33 | Very low | 101 Ų | 101 | 138.8 Ų | 138.8 | 66% | 0.656 | 76% | 0.763 | S | S | * | * | | | | -155.9 | 179.7 | 113.1 | 31.6 | -8.6 | 0 | 0 | 0 | 117.4 | | |
| 321 | Y | 28.6 | Very low | 33.2 | Very low | 215 Ų | 215 | 138.2 Ų | 138.2 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | | | trans | 75.2 | 160.7 | 165.7 | -57.7 | -64.6 | 0 | 0 | 0 | 118.3 | | |
| 322 | S | 31.6 | Very low | 32.5 | Very low | 107 Ų | 107 | 142.2 Ų | 142.2 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | | | cis | -146 | -175.5 | 10.5 | -150.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 323 | N | 28.2 | Very low | 32.5 | Very low | 144 Ų | 144 | 143 Ų | 143 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | | | trans | -84 | -168.9 | 179 | -69.5 | -40.3 | 0 | 0 | 0 | 114 | | |
| 324 | D | 31.5 | Very low | 32.4 | Very low | 148 Ų | 148 | 141.2 Ų | 141.2 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | | | trans | 83.8 | 149.7 | 165.3 | -67.1 | -55.4 | 0 | 0 | 0 | 117.1 | | |
| 325 | S | 27.1 | Very low | 32.6 | Very low | 87 Ų | 87 | 144 Ų | 144 | 61% | 0.608 | 78% | 0.781 | S | S | * | * | | | cis | 166.9 | 172.7 | -20.3 | -90.5 | 0 | 0 | 0 | 0 | 104.3 | | |
| 326 | F | 30.6 | Very low | 32.6 | Very low | 189 Ų | 189 | 142.8 Ų | 142.8 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | | | trans | 70.7 | 87.9 | 172.7 | -79.4 | -83.8 | 0 | 0 | 0 | 120.1 | | |
| 327 | E | 29.3 | Very low | 32.9 | Very low | 157 Ų | 157 | 140.6 Ų | 140.6 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | | 45.4 | 139.5 | 103.9 | -134.9 | -159.3 | 134.5 | 0 | 0 | 123.2 | | |
| 328 | S | 31.4 | Very low | 32.9 | Very low | 93 Ų | 93 | 141.8 Ų | 141.8 | 65% | 0.65 | 79% | 0.788 | S | S | * | * | | | trans | 56 | 124.4 | 151 | -72.8 | 0 | 0 | 0 | 0 | 119.6 | | |
| 329 | S | 34.1 | Very low | 33 | Very low | 123 Ų | 123 | 143.1 Ų | 143.1 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | | | | -164.5 | 166.2 | 76.4 | -72.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 330 | K | 33 | Very low | 32.3 | Very low | 213 Ų | 213 | 140.8 Ų | 140.8 | 93% | 0.926 | 79% | 0.788 | S | S | * | * | | | trans | -101.6 | 134.6 | 175.7 | -62.5 | 170.9 | -178.9 | 169.2 | 0 | 112.6 | | |
| 331 | A | 36.2 | Very low | 31.5 | Very low | 96 Ų | 96 | 147.1 Ų | 147.1 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | | | trans | -153.4 | 127.3 | 148.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | | |
| 332 | H | 32.3 | Very low | 31.9 | Very low | 180 Ų | 180 | 142.5 Ų | 142.5 | 83% | 0.833 | 80% | 0.797 | S | S | * | * | | | cis | 80.8 | 131.8 | 27.9 | -125.4 | 40.1 | 0 | 0 | 0 | 114 | | |
| 333 | Q | 31.9 | Very low | 32 | Very low | 198 Ų | 198 | 142.9 Ų | 142.9 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | | | trans | 68.8 | 142.5 | -171.9 | -52.2 | 172.8 | 7.3 | 0 | 0 | 114.5 | | |
| 334 | G | 29.5 | Very low | 32.5 | Very low | 67 Ų | 67 | 141.7 Ų | 141.7 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | | | cis | 173.4 | -169.7 | -6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 335 | I | 34.3 | Very low | 32.4 | Very low | 170 Ų | 170 | 138.6 Ų | 138.6 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | | | trans | 69.3 | 119.6 | 170 | -51.3 | 174.8 | 0 | 0 | 0 | 115.3 | | |
| 336 | A | 29.2 | Very low | 32.8 | Very low | 88 Ų | 88 | 140.6 Ų | 140.6 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | | | trans | -98.3 | 151.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 337 | M | 36.8 | Very low | 33 | Very low | 187 Ų | 187 | 138.3 Ų | 138.3 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | | | trans | -137.5 | 151.9 | 153.7 | -79.5 | -151.5 | 178.3 | 0 | 0 | 110.7 | | |
| 338 | T | 32.6 | Very low | 33.1 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | | | trans | -110.6 | 127.1 | -168.1 | 48.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 339 | Q | 35.1 | Very low | 33.1 | Very low | 206 Ų | 206 | 141.1 Ų | 141.1 | 96% | 0.963 | 80% | 0.797 | S | S | * | * | | | trans | 173.3 | 153.6 | 157.3 | -97 | 155.7 | 41.2 | 0 | 0 | 107.5 | | |
| 340 | G | 30.5 | Very low | 33.2 | Very low | 61 Ų | 61 | 143.5 Ų | 143.5 | 63% | 0.629 | 80% | 0.795 | S | S | * | * | | | cis | 164.1 | 75.6 | -7.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 341 | Y | 28.5 | Very low | 33.2 | Very low | 235 Ų | 235 | 140.1 Ų | 140.1 | 92% | 0.922 | 78% | 0.782 | S | S | * | * | | | trans | 63.3 | 173.6 | 179.9 | -64.5 | -87 | 0 | 0 | 0 | 114.9 | | |
| 342 | P | 36.1 | Very low | 33.1 | Very low | 118 Ų | 118 | 142.6 Ų | 142.6 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | | | cis | -118 | -171.1 | -9.4 | 41.2 | -27.5 | 0 | 0 | 0 | 113.6 | | |
| 343 | S | 35 | Very low | 33.2 | Very low | 114 Ų | 114 | 141 Ų | 141 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | | | trans | -91.2 | 137.4 | 171.1 | -172.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 344 | P | 38.2 | Very low | 33.2 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | | | trans | -99.1 | 146.8 | 165.8 | 35.4 | -29.9 | 0 | 0 | 0 | 112.3 | | |
| 345 | A | 29.3 | Very low | 33.2 | Very low | 83 Ų | 83 | 140.6 Ų | 140.6 | 69% | 0.686 | 77% | 0.766 | S | S | * | * | | | trans | -126.5 | 172.1 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 346 | T | 35.1 | Very low | 33.1 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 80% | 0.798 | 77% | 0.767 | S | S | * | * | | | trans | 62.7 | 159.9 | 179.3 | 59.3 | 0 | 0 | 0 | 0 | 115.4 | | |
| 347 | H | 34.5 | Very low | 33.2 | Very low | 140 Ų | 140 | 139 Ų | 139 | 65% | 0.648 | 77% | 0.772 | S | S | * | * | | | cis | -147.4 | 144 | 0.7 | -141.3 | -76.9 | 0 | 0 | 0 | 109.9 | S349 | H347-S349 PolarHBondContact CE1-OG 3.43Å; H347-S349 VanDerWaalsContact CE1-OG 3.29Å; H347-S349 PolarHBondContact ND1-OG 3.34Å |
| 348 | Y | 31.7 | Very low | 32.9 | Very low | 237 Ų | 237 | 139 Ų | 139 | 93% | 0.929 | 77% | 0.769 | S | S | * | * | | | trans | -162.9 | 149.5 | 135.2 | -123.7 | -80.8 | 0 | 0 | 0 | 109.9 | | |
| 349 | S | 31.9 | Very low | 32.8 | Very low | 73 Ų | 73 | 141.4 Ų | 141.4 | 51% | 0.51 | 78% | 0.776 | S | S | . | * | | | trans | -164.3 | 132.4 | -154.4 | 49.9 | 0 | 0 | 0 | 0 | 114.8 | H347 | H347-S349 PolarHBondContact CE1-OG 3.43Å; H347-S349 VanDerWaalsContact CE1-OG 3.29Å; H347-S349 PolarHBondContact ND1-OG 3.34Å |
| 350 | Q | 36.1 | Very low | 32.4 | Very low | 173 Ų | 173 | 138.9 Ų | 138.9 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | | | trans | -166.6 | 123.3 | 147.3 | -103.2 | 166.8 | -5 | 0 | 0 | 106.5 | | |
| 351 | Q | 32.4 | Very low | 32.2 | Very low | 141 Ų | 141 | 140.2 Ų | 140.2 | 66% | 0.659 | 77% | 0.774 | S | S | * | * | | | | 79.2 | 129.2 | 72.5 | -168.4 | 174.4 | 25.1 | 0 | 0 | 110.8 | | |
| 352 | Q | 34.6 | Very low | 32.4 | Very low | 148 Ų | 148 | 137.4 Ų | 137.4 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | | | cis | -118.9 | 134.9 | 16 | -105.7 | 125.3 | 35.1 | 0 | 0 | 112.2 | | |
| 353 | Q | 34.3 | Very low | 32 | Very low | 147 Ų | 147 | 137.4 Ų | 137.4 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | | | | 77.1 | 107.5 | 93.6 | -70 | -173.7 | -26.1 | 0 | 0 | 115.5 | | |
| 354 | L | 31.1 | Very low | 31.7 | Very low | 151 Ų | 151 | 139.7 Ų | 139.7 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | | | | 92.1 | 138.5 | 95.9 | -72.6 | 173.5 | 0 | 0 | 0 | 112 | | |
| 355 | S | 30.6 | Very low | 31 | Very low | 106 Ų | 106 | 138.7 Ų | 138.7 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | | | cis | -155.6 | 151.1 | -9.1 | 47.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 356 | A | 31 | Very low | 30.9 | Very low | 107 Ų | 107 | 139.3 Ų | 139.3 | 88% | 0.884 | 76% | 0.756 | S | S | * | * | | | trans | -106.9 | 125.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 357 | S | 32.8 | Very low | 30.4 | Very low | 118 Ų | 118 | 142 Ų | 142 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | | | trans | -100.6 | 144.3 | 173.4 | 44.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 358 | Q | 30.5 | Very low | 30.1 | Very low | 185 Ų | 185 | 142.1 Ų | 142.1 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | | | trans | -90.8 | 155.6 | 170.6 | -55.8 | 170.4 | -75.1 | 0 | 0 | 109.2 | | |
| 359 | L | 29.2 | Very low | 30 | Very low | 177 Ų | 177 | 140.6 Ų | 140.6 | 93% | 0.927 | 76% | 0.759 | S | S | * | * | | | | -167.3 | 148.6 | 122.9 | -106.1 | 161.2 | 0 | 0 | 0 | 111.6 | | |
| 360 | D | 26.4 | Very low | 29.7 | Very low | 153 Ų | 153 | 140.6 Ų | 140.6 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | -105.5 | 168.3 | 172.9 | -121.1 | -47.4 | 0 | 0 | 0 | 109.1 | | |
| 361 | A | 27.6 | Very low | 29.4 | Very low | 89 Ų | 89 | 139.8 Ų | 139.8 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | | | trans | 62.9 | 92.2 | 163.3 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 362 | H | 31.3 | Very low | 29 | Very low | 176 Ų | 176 | 142.9 Ų | 142.9 | 82% | 0.815 | 78% | 0.779 | S | S | * | * | | | trans | -150.2 | 98.3 | 143.5 | -132.8 | -99.2 | 0 | 0 | 0 | 106.8 | | |
| 363 | L | 29.1 | Very low | 28.8 | Very low | 119 Ų | 119 | 142.4 Ų | 142.4 | 62% | 0.623 | 78% | 0.781 | S | S | * | * | | | | 85.3 | 131.7 | 88.9 | -89.5 | 168.9 | 0 | 0 | 0 | 114.8 | | |
| 364 | Q | 27.7 | Very low | 28.7 | Very low | 162 Ų | 162 | 141.9 Ų | 141.9 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | | | trans | 54.9 | 102.8 | 153.7 | -70.7 | 161.1 | -13 | 0 | 0 | 117.7 | | |
| 365 | S | 24.9 | Very low | 28.7 | Very low | 98 Ų | 98 | 143.2 Ų | 143.2 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | | | | 75.9 | 128.3 | 69.9 | 76.2 | 0 | 0 | 0 | 0 | 115.8 | | |
| 366 | S | 25.3 | Very low | 28.6 | Very low | 96 Ų | 96 | 145.2 Ų | 145.2 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | | | trans | 96.3 | 143.8 | 150.5 | -49.9 | 0 | 0 | 0 | 0 | 120 | | |
| 367 | F | 26.1 | Very low | 28.5 | Very low | 186 Ų | 186 | 146.5 Ų | 146.5 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | | | trans | 78 | 101.6 | 160.2 | -58.7 | -64.2 | 0 | 0 | 0 | 122.2 | | |
| 368 | L | 28 | Very low | 28.6 | Very low | 143 Ų | 143 | 144.5 Ų | 144.5 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | | | | 90.6 | 126.3 | 122.1 | -69.9 | 167.9 | 0 | 0 | 0 | 122.9 | | |
| 369 | K | 28.5 | Very low | 28.5 | Very low | 204 Ų | 204 | 142.4 Ų | 142.4 | 89% | 0.887 | 77% | 0.766 | S | S | * | * | | | trans | -6.5 | 120.8 | 140 | -59.3 | 170.4 | 179.4 | 173.9 | 0 | 116.2 | | |
| 370 | G | 26.5 | Very low | 28.6 | Very low | 74 Ų | 74 | 137.7 Ų | 137.7 | 76% | 0.763 | 75% | 0.753 | S | S | * | * | | | trans | -158.4 | 145.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 371 | N | 30 | Very low | 28.8 | Very low | 155 Ų | 155 | 137.8 Ų | 137.8 | 83% | 0.829 | 75% | 0.748 | S | S | * | * | | | trans | -104.1 | 174.2 | 178.9 | -81.1 | -35.8 | 0 | 0 | 0 | 111.7 | | |
| 372 | Y | 23.8 | Very low | 29.1 | Very low | 206 Ų | 206 | 138.9 Ų | 138.9 | 81% | 0.808 | 74% | 0.738 | S | S | * | * | | | trans | 83.6 | 101.5 | 164 | -75.1 | -86.9 | 0 | 0 | 0 | 119.8 | | |
| 373 | L | 30.9 | Very low | 29.2 | Very low | 138 Ų | 138 | 135.7 Ų | 135.7 | 72% | 0.723 | 72% | 0.724 | S | S | * | * | | | | 49.9 | 133.8 | 105.9 | -160.3 | 75.3 | 0 | 0 | 0 | 119.9 | | |
| 374 | Q | 30.7 | Very low | 29.3 | Very low | 136 Ų | 136 | 133.8 Ų | 133.8 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | | | | 133.4 | 105.3 | 126.4 | -163.9 | 73.7 | 65.7 | 0 | 0 | 115.9 | | |
| 375 | Q | 31.2 | Very low | 29.4 | Very low | 179 Ų | 179 | 129.7 Ų | 129.7 | 84% | 0.836 | 71% | 0.711 | S | S | * | * | | | trans | -147.5 | 97.4 | 148.2 | -131.1 | 166.6 | 31.2 | 0 | 0 | 106.6 | | |
| 376 | Q | 30 | Very low | 29.7 | Very low | 149 Ų | 149 | 131 Ų | 131 | 70% | 0.696 | 72% | 0.715 | S | S | * | * | | | | 65 | 129.1 | 93 | -66.2 | -179.1 | 35.1 | 0 | 0 | 111.9 | | |
| 377 | T | 29.3 | Very low | 30 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 82% | 0.822 | 72% | 0.723 | S | S | * | * | | | cis | -136 | 177.7 | 26.9 | 49.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 378 | A | 33.9 | Very low | 30.1 | Very low | 76 Ų | 76 | 130.5 Ų | 130.5 | 63% | 0.628 | 72% | 0.717 | S | S | * | * | | | cis | -171.5 | 169.7 | -41.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 379 | T | 28.9 | Very low | 30.3 | Very low | 141 Ų | 141 | 130.2 Ų | 130.2 | 87% | 0.865 | 71% | 0.712 | S | S | * | * | | | trans | 62.6 | 139.3 | 157.5 | 53.3 | 0 | 0 | 0 | 0 | 121.1 | | |
| 380 | A | 30 | Very low | 30.3 | Very low | 78 Ų | 78 | 130 Ų | 130 | 65% | 0.645 | 71% | 0.705 | S | S | * | * | | | cis | -169.8 | 144.7 | -13.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 381 | Q | 31.6 | Very low | 30.5 | Very low | 154 Ų | 154 | 132 Ų | 132 | 72% | 0.72 | 70% | 0.699 | S | S | * | * | | | trans | 66.7 | 154.9 | 148.9 | -68.5 | 177.2 | 16.2 | 0 | 0 | 119.1 | | |
| 382 | Q | 34.3 | Very low | 30.5 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 52% | 0.523 | 69% | 0.686 | S | S | . | * | | | cis | -149.2 | 179.8 | 6.2 | -134.8 | 171.4 | 79.7 | 0 | 0 | 113.2 | | |
| 383 | Q | 33.1 | Very low | 31 | Very low | 110 Ų | 110 | 126 Ų | 126 | 51% | 0.514 | 68% | 0.684 | S | S | . | * | | | trans | -77.4 | -170.5 | -175.6 | -56.6 | 103.8 | -15.1 | 0 | 0 | 113.9 | N422 | Q383-N422 VanDerWaalsContact CB-OD1 3.3Å; Q383-N422 WeakPolarHBondContact CB-OD1 3.41Å; Q383-N422 VanDerWaalsContact CD-OD1 3.29Å; Q383-N422 WeakPolarHBondContact CG-OD1 3.43Å; Q383-N422 VanDerWaalsContact NE2-N 3.18Å |
| 384 | A | 31.8 | Very low | 31 | Very low | 78 Ų | 78 | 127.2 Ų | 127.2 | 65% | 0.645 | 69% | 0.691 | S | S | * | * | | | cis | -167.6 | -178.9 | 18.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 385 | V | 29.6 | Very low | 31.2 | Very low | 77 Ų | 77 | 123.6 Ų | 123.6 | 47% | 0.467 | 69% | 0.69 | S | S | . | * | | | cis | -173.9 | 178.7 | -20.6 | 138.4 | 0 | 0 | 0 | 0 | 108.4 | Q421 | V385-Q421 HydrophobicContact CG2-CG 4.49Š|
| 386 | V | 30.5 | Very low | 31.3 | Very low | 126 Ų | 126 | 120.2 Ų | 120.2 | 76% | 0.764 | 69% | 0.686 | S | S | * | * | | | trans | 81 | 123.4 | 178.9 | -166.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 387 | M | 30.6 | Very low | 31.6 | Very low | 173 Ų | 173 | 119.3 Ų | 119.3 | 85% | 0.852 | 69% | 0.69 | S | S | * | * | | | cis | 96.7 | 113.3 | 22.4 | -69.2 | -171 | 69.3 | 0 | 0 | 117.3 | | |
| 388 | S | 29.8 | Very low | 31.9 | Very low | 98 Ų | 98 | 118.8 Ų | 118.8 | 69% | 0.685 | 69% | 0.689 | S | S | * | * | | | trans | -173.8 | 112.2 | 130.3 | -149.9 | 0 | 0 | 0 | 0 | 115.6 | | |
| 389 | Q | 30.9 | Very low | 31.9 | Very low | 136 Ų | 136 | 119.7 Ų | 119.7 | 64% | 0.636 | 69% | 0.691 | S | S | * | * | | | | 56.2 | 121.6 | 125.6 | -60.3 | -170.4 | 99.9 | 0 | 0 | 122.6 | | |
| 390 | R | 29.8 | Very low | 32.2 | Very low | 200 Ų | 200 | 119.1 Ų | 119.1 | 76% | 0.755 | 69% | 0.687 | S | S | * | * | | | | 88.7 | 152 | 78.5 | -75.7 | 176.2 | 175.1 | 155.6 | -8 | 113.6 | | |
| 391 | N | 29.7 | Very low | 32.4 | Very low | 117 Ų | 117 | 119.7 Ų | 119.7 | 63% | 0.626 | 69% | 0.687 | S | S | * | * | | | cis | -168 | 157.7 | -0.8 | -114.9 | -1.5 | 0 | 0 | 0 | 114 | | |
| 392 | I | 30.9 | Very low | 32.5 | Very low | 110 Ų | 110 | 119.9 Ų | 119.9 | 56% | 0.564 | 69% | 0.692 | S | S | * | * | | | trans | 56.7 | 134 | 134.6 | -63.7 | 174.6 | 0 | 0 | 0 | 121 | | |
| 393 | V | 33.3 | Very low | 33.1 | Very low | 125 Ų | 125 | 119.8 Ų | 119.8 | 76% | 0.758 | 70% | 0.702 | S | S | * | * | | | cis | 91 | 110.1 | 1.8 | -169.5 | 0 | 0 | 0 | 0 | 120.6 | | |
| 394 | N | 31.7 | Very low | 33.2 | Very low | 162 Ų | 162 | 120.2 Ų | 120.2 | 87% | 0.866 | 72% | 0.717 | S | S | * | * | | | trans | -165.3 | 149.4 | 165.5 | 178.6 | 70.1 | 0 | 0 | 0 | 116.6 | | |
| 395 | G | 33.5 | Very low | 33.4 | Very low | 60 Ų | 60 | 121.1 Ų | 121.1 | 62% | 0.619 | 72% | 0.718 | S | S | * | * | | | trans | 89.1 | 164.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 396 | S | 33.6 | Very low | 33.4 | Very low | 108 Ų | 108 | 123.5 Ų | 123.5 | 76% | 0.755 | 73% | 0.733 | S | S | * | * | | | cis | -156.1 | 163.7 | -16.4 | -66.9 | 0 | 0 | 0 | 0 | 108 | | |
| 397 | V | 36.5 | Very low | 33.2 | Very low | 130 Ų | 130 | 122.4 Ų | 122.4 | 79% | 0.788 | 73% | 0.73 | S | S | * | * | | | cis | 68.8 | 137.3 | 26.8 | -82.3 | 0 | 0 | 0 | 0 | 117.2 | | |
| 398 | P | 35.7 | Very low | 33.2 | Very low | 123 Ų | 123 | 121.8 Ų | 121.8 | 80% | 0.799 | 73% | 0.725 | S | S | * | * | | | cis | -119.9 | -177.8 | 42.3 | 17.5 | 6.1 | 0 | 0 | 0 | 116.5 | | |
| 399 | S | 33.8 | Very low | 33.3 | Very low | 96 Ų | 96 | 124.3 Ų | 124.3 | 67% | 0.671 | 73% | 0.73 | S | S | * | * | | | cis | 167.3 | 173.5 | -38.2 | 64.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 400 | V | 35 | Very low | 33.3 | Very low | 128 Ų | 128 | 121.5 Ų | 121.5 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | | | trans | 102.4 | 104.1 | 175.2 | 175.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 401 | S | 34.4 | Very low | 33.4 | Very low | 91 Ų | 91 | 121.1 Ų | 121.1 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | | | cis | 101 | 142.4 | 40.7 | 69.2 | 0 | 0 | 0 | 0 | 112 | | |
| 402 | D | 34.6 | Very low | 33.5 | Very low | 157 Ų | 157 | 120 Ų | 120 | 84% | 0.84 | 74% | 0.744 | S | S | * | * | | | cis | -159.7 | 175.7 | 5.4 | -115.3 | 5.5 | 0 | 0 | 0 | 113.1 | | |
| 403 | P | 46.1 | Very low | 33.4 | Very low | 111 Ų | 111 | 118.1 Ų | 118.1 | 72% | 0.721 | 75% | 0.751 | S | S | * | * | | | trans | -123.5 | 177.3 | -162.3 | 44.4 | -34.7 | 0 | 0 | 0 | 117.7 | | |
| 404 | S | 35.4 | Very low | 33.1 | Very low | 119 Ų | 119 | 122.8 Ų | 122.8 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | | | trans | -169.1 | 152.4 | 154.1 | -0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 405 | S | 35.5 | Very low | 32.9 | Very low | 97 Ų | 97 | 122.3 Ų | 122.3 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | | | cis | -165.1 | 144.3 | -6.1 | 54.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 406 | T | 29 | Very low | 32.7 | Very low | 127 Ų | 127 | 127.8 Ų | 127.8 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | | | | 53.7 | 129.9 | 125.3 | -54.8 | 0 | 0 | 0 | 0 | 119.2 | | |
| 407 | C | 28 | Very low | 32.3 | Very low | 103 Ų | 103 | 126.1 Ų | 126.1 | 70% | 0.696 | 75% | 0.749 | S | S | * | * | | | cis | 178.8 | 179.5 | 4.6 | -108.1 | 0 | 0 | 0 | 0 | 107.9 | | |
| 408 | H | 30.7 | Very low | 31.8 | Very low | 160 Ų | 160 | 129.4 Ų | 129.4 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | | | cis | -175.1 | 165.8 | -35.8 | -127.9 | -12.5 | 0 | 0 | 0 | 109.3 | | |
| 409 | L | 31.2 | Very low | 31.4 | Very low | 151 Ų | 151 | 128 Ų | 128 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | | | trans | 61.7 | 166.3 | 158 | -87.4 | 74.2 | 0 | 0 | 0 | 118.7 | | |
| 410 | A | 30.4 | Very low | 31.1 | Very low | 77 Ų | 77 | 128.1 Ų | 128.1 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | | | cis | -178.7 | 152.5 | -43.3 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 411 | E | 32.3 | Very low | 30.8 | Very low | 191 Ų | 191 | 128 Ų | 128 | 89% | 0.893 | 74% | 0.739 | S | S | * | * | | | | -139.3 | 130.9 | 118.5 | -79.6 | -167 | 112.9 | 0 | 0 | 106.2 | | |
| 412 | A | 31.3 | Very low | 30.4 | Very low | 94 Ų | 94 | 127 Ų | 127 | 78% | 0.777 | 73% | 0.726 | S | S | * | * | | | cis | 81.2 | 128.2 | 46.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 413 | G | 29.8 | Very low | 30.2 | Very low | 70 Ų | 70 | 125.6 Ų | 125.6 | 72% | 0.722 | 72% | 0.723 | S | S | * | * | | | cis | 164.5 | 160.8 | -15.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 414 | R | 26.4 | Very low | 29.3 | Very low | 224 Ų | 224 | 124.2 Ų | 124.2 | 85% | 0.845 | 71% | 0.709 | S | S | * | * | | | trans | 64.2 | 124.9 | 157.3 | -67.3 | -169.3 | 165.9 | -179.3 | -3.5 | 117.8 | | |
| 415 | L | 28 | Very low | 29 | Very low | 152 Ų | 152 | 126.5 Ų | 126.5 | 80% | 0.796 | 71% | 0.706 | S | S | * | * | | | | 89.2 | 154.6 | 53.8 | -80.6 | -179.5 | 0 | 0 | 0 | 113.9 | | |
| 416 | Q | 28 | Very low | 28.8 | Very low | 175 Ų | 175 | 129.2 Ų | 129.2 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | | | trans | 90.1 | 148.8 | 174.4 | -55.7 | -174.1 | 39.6 | 0 | 0 | 116.2 | | |
| 417 | S | 26 | Very low | 29 | Very low | 72 Ų | 72 | 130.9 Ų | 130.9 | 50% | 0.503 | 71% | 0.707 | S | S | . | * | | | cis | 165 | 154.3 | -49.7 | 48.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 418 | F | 25.9 | Very low | 29.1 | Very low | 199 Ų | 199 | 133.5 Ų | 133.5 | 87% | 0.873 | 71% | 0.709 | S | S | * | * | | | trans | 68.7 | 161.5 | 174.1 | -52.1 | -70.2 | 0 | 0 | 0 | 115.1 | | |
| 419 | S | 27.5 | Very low | 29 | Very low | 95 Ų | 95 | 132.7 Ų | 132.7 | 66% | 0.664 | 71% | 0.706 | S | S | * | * | | | cis | -171.3 | 164.1 | -30.3 | 177.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 420 | S | 27.5 | Very low | 29 | Very low | 98 Ų | 98 | 132.1 Ų | 132.1 | 69% | 0.685 | 70% | 0.699 | S | S | * | * | | | trans | 72.7 | 136.6 | 162.2 | -48.2 | 0 | 0 | 0 | 0 | 115.1 | | |
| 421 | Q | 29 | Very low | 28.8 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 59% | 0.589 | 70% | 0.701 | S | S | * | * | | | cis | 110.4 | 121.8 | 22.8 | -82.4 | -178.1 | 8.2 | 0 | 0 | 113.1 | V385 | V385-Q421 HydrophobicContact CG2-CG 4.49Š|
| 422 | N | 26.3 | Very low | 28.6 | Very low | 70 Ų | 70 | 132.7 Ų | 132.7 | 37% | 0.374 | 69% | 0.688 | S | S | . | * | | | trans | 76.4 | 166.2 | 155.5 | -53.2 | -14 | 0 | 0 | 0 | 119 | Q383 | Q383-N422 VanDerWaalsContact CB-OD1 3.3Å; Q383-N422 WeakPolarHBondContact CB-OD1 3.41Å; Q383-N422 VanDerWaalsContact CD-OD1 3.29Å; Q383-N422 WeakPolarHBondContact CG-OD1 3.43Å; Q383-N422 VanDerWaalsContact NE2-N 3.18Å |
| 423 | V | 29.7 | Very low | 28.5 | Very low | 127 Ų | 127 | 135.4 Ų | 135.4 | 77% | 0.77 | 69% | 0.685 | S | S | * | * | | | trans | 73.3 | 112 | -173.3 | -166.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 424 | I | 27.2 | Very low | 28.7 | Very low | 82 Ų | 82 | 140.1 Ų | 140.1 | 42% | 0.421 | 69% | 0.688 | S | S | . | * | | | cis | 104.4 | 116 | 23.2 | -63.3 | 163.9 | 0 | 0 | 0 | 112.6 | | |
| 425 | Q | 28.9 | Very low | 29 | Very low | 167 Ų | 167 | 138 Ų | 138 | 78% | 0.78 | 69% | 0.688 | S | S | * | * | | | trans | 63.7 | 162.5 | 166.2 | -66.1 | 159.3 | -0.2 | 0 | 0 | 115 | | |
| 426 | Q | 32.5 | Very low | 29.4 | Very low | 154 Ų | 154 | 136.6 Ų | 136.6 | 72% | 0.72 | 69% | 0.687 | S | S | * | * | | | cis | -159 | 159.6 | 22 | -161.5 | 170.5 | 19.2 | 0 | 0 | 111.3 | | |
| 427 | Q | 32.4 | Very low | 29.8 | Very low | 161 Ų | 161 | 131.5 Ų | 131.5 | 75% | 0.752 | 68% | 0.682 | S | S | * | * | | | trans | 54.2 | 127 | 164.9 | -79.1 | 155.9 | -15 | 0 | 0 | 119 | | |
| 428 | Q | 30.3 | Very low | 30 | Very low | 158 Ų | 158 | 136.8 Ų | 136.8 | 74% | 0.738 | 70% | 0.696 | S | S | * | * | | | cis | 79.8 | 131.9 | 18.8 | -149.8 | -158.6 | 77.6 | 0 | 0 | 116.5 | | |
| 429 | Q | 29.6 | Very low | 30.4 | Very low | 144 Ų | 144 | 134.1 Ų | 134.1 | 67% | 0.673 | 69% | 0.688 | S | S | * | * | | | trans | 79.5 | 149.1 | 176 | -47.3 | -170.6 | 23.9 | 0 | 0 | 113.9 | | |
| 430 | Q | 30.2 | Very low | 30.6 | Very low | 139 Ų | 139 | 134.3 Ų | 134.3 | 65% | 0.65 | 69% | 0.689 | S | S | * | * | | | cis | -152.4 | 162.3 | 15.1 | -142.8 | 161.8 | 74.3 | 0 | 0 | 111.8 | | |
| 431 | Q | 27.2 | Very low | 31.1 | Very low | 146 Ų | 146 | 134.7 Ų | 134.7 | 68% | 0.682 | 69% | 0.692 | S | S | * | * | | | trans | 12.5 | 156.7 | 146 | -62.3 | 171.4 | 31.5 | 0 | 0 | 121.1 | | |
| 432 | Q | 27 | Very low | 31.3 | Very low | 134 Ų | 134 | 138 Ų | 138 | 63% | 0.626 | 71% | 0.71 | S | S | * | * | | | cis | -178 | 175.6 | -6.6 | -105.5 | 179.3 | 20.8 | 0 | 0 | 107 | | |
| 433 | Q | 29.5 | Very low | 31.6 | Very low | 150 Ų | 150 | 138 Ų | 138 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | | | trans | 68.4 | 145.3 | 147.3 | -86.5 | -178.8 | 70.9 | 0 | 0 | 117.8 | | |
| 434 | Q | 33.1 | Very low | 31.9 | Very low | 170 Ų | 170 | 140.5 Ų | 140.5 | 79% | 0.794 | 73% | 0.73 | S | S | * | * | | | cis | -146.2 | 175.6 | 13 | -63.4 | -164.8 | -18.1 | 0 | 0 | 114.3 | | |
| 435 | H | 33.9 | Very low | 32 | Very low | 179 Ų | 179 | 145.6 Ų | 145.6 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | | | trans | -83.3 | -166.2 | 167.4 | -100 | -73.5 | 0 | 0 | 0 | 111.7 | | |
| 436 | P | 36.7 | Very low | 32.1 | Very low | 122 Ų | 122 | 142.7 Ų | 142.7 | 79% | 0.792 | 75% | 0.749 | S | S | * | * | | | cis | -129.2 | 166.1 | 4 | 40.4 | -22.5 | 0 | 0 | 0 | 116.1 | | |
| 437 | G | 34.7 | Very low | 31.8 | Very low | 68 Ų | 68 | 143.5 Ų | 143.5 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | | | | 127 | 164.1 | 96 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 438 | F | 32 | Very low | 31.5 | Very low | 183 Ų | 183 | 142.6 Ų | 142.6 | 80% | 0.803 | 75% | 0.746 | S | S | * | * | | | cis | -162.5 | 122.4 | 4.8 | -166.5 | -104.3 | 0 | 0 | 0 | 111.7 | | |
| 439 | M | 34.6 | Very low | 31.3 | Very low | 144 Ų | 144 | 142.5 Ų | 142.5 | 71% | 0.709 | 75% | 0.745 | S | S | * | * | | | trans | 52.7 | 157.9 | 149.7 | -62 | -169.2 | 74.1 | 0 | 0 | 122.4 | | |
| 440 | S | 31.5 | Very low | 31.1 | Very low | 98 Ų | 98 | 140.4 Ų | 140.4 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | | | cis | -162.3 | 158.4 | -26.8 | -98.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 441 | S | 36.6 | Very low | 30.9 | Very low | 107 Ų | 107 | 141.1 Ų | 141.1 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | | | trans | -76.6 | 159.5 | 175.8 | 55 | 0 | 0 | 0 | 0 | 116 | | |
| 442 | M | 33.4 | Very low | 30.8 | Very low | 194 Ų | 194 | 143.2 Ų | 143.2 | 96% | 0.956 | 76% | 0.757 | S | S | * | * | | | trans | -157.4 | 148.4 | 139.8 | -105.7 | -173.7 | -70.3 | 0 | 0 | 109.5 | | |
| 443 | G | 33.7 | Very low | 30.8 | Very low | 71 Ų | 71 | 143.4 Ų | 143.4 | 73% | 0.732 | 76% | 0.762 | S | S | * | * | | | cis | 164.7 | 114.5 | -3.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 444 | Q | 35.6 | Very low | 31 | Very low | 180 Ų | 180 | 141.4 Ų | 141.4 | 84% | 0.841 | 76% | 0.762 | S | S | * | * | | | trans | -47 | 160.9 | 178.3 | -55.2 | 160.3 | -4.8 | 0 | 0 | 115 | | |
| 445 | Q | 28.7 | Very low | 30.8 | Very low | 188 Ų | 188 | 140.5 Ų | 140.5 | 88% | 0.879 | 76% | 0.762 | S | S | * | * | | | | -158.6 | 151.1 | 116.9 | -112.1 | 170.2 | 29.6 | 0 | 0 | 114.3 | | |
| 446 | C | 30.9 | Very low | 30.4 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 72% | 0.723 | 75% | 0.753 | S | S | * | * | | | trans | -85.5 | 176.6 | 173.2 | -47.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 447 | F | 26 | Very low | 29.9 | Very low | 171 Ų | 171 | 137.5 Ų | 137.5 | 75% | 0.75 | 76% | 0.755 | S | S | * | * | | | | -174.8 | 131.6 | 114.7 | -115.3 | -128.6 | 0 | 0 | 0 | 114.1 | | |
| 448 | Q | 26.2 | Very low | 29.6 | Very low | 142 Ų | 142 | 139 Ų | 139 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | | | trans | 65.3 | 151.8 | 138.5 | -80.9 | -170 | 9.3 | 0 | 0 | 124.7 | | |
| 449 | H | 26.1 | Very low | 29.4 | Very low | 155 Ų | 155 | 137.1 Ų | 137.1 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | | | trans | 71 | 87.2 | 148.5 | -80.4 | 100.6 | 0 | 0 | 0 | 121.5 | | |
| 450 | S | 24.7 | Very low | 29 | Very low | 100 Ų | 100 | 140.8 Ų | 140.8 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | | | | 87.4 | 159.1 | 110.9 | -144.1 | 0 | 0 | 0 | 0 | 121.1 | | |
| 451 | Q | 26.3 | Very low | 28.8 | Very low | 155 Ų | 155 | 144.1 Ų | 144.1 | 72% | 0.724 | 78% | 0.776 | S | S | * | * | | | trans | 82.9 | 98.3 | 155.7 | -56.6 | -123.8 | 6.5 | 0 | 0 | 121.2 | | |
| 452 | F | 25.5 | Very low | 28.3 | Very low | 190 Ų | 190 | 145.5 Ų | 145.5 | 83% | 0.833 | 78% | 0.775 | S | S | * | * | | | trans | 80.1 | 150.6 | 135.4 | -76.3 | -82.7 | 0 | 0 | 0 | 124.2 | | |
| 453 | L | 27 | Very low | 28 | Very low | 138 Ų | 138 | 144 Ų | 144 | 72% | 0.723 | 77% | 0.766 | S | S | * | * | | | trans | -83.1 | 171.1 | 171.5 | -63.8 | 160.9 | 0 | 0 | 0 | 110.6 | | |
| 454 | P | 33.2 | Very low | 27.7 | Very low | 108 Ų | 108 | 144.5 Ų | 144.5 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | | | | -135.1 | 162.3 | 88.2 | 37.9 | -28 | 0 | 0 | 0 | 112.2 | T456 | P454-T456 WeakPolarHBondContact CB-OG1 3.29Š|
| 455 | N | 28.7 | Very low | 27.4 | Very low | 150 Ų | 150 | 140 Ų | 140 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | | | cis | 12.9 | 91.7 | -4.7 | -66 | 1.4 | 0 | 0 | 0 | 120.8 | | |
| 456 | T | 26.4 | Very low | 27.6 | Very low | 104 Ų | 104 | 141.7 Ų | 141.7 | 64% | 0.638 | 76% | 0.757 | S | S | * | * | | | trans | -169.6 | 111.2 | 148.7 | 18.3 | 0 | 0 | 0 | 0 | 107.9 | P454 | P454-T456 WeakPolarHBondContact CB-OG1 3.29Š|
| 457 | T | 25.9 | Very low | 27.7 | Very low | 134 Ų | 134 | 144.9 Ų | 144.9 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | | | | 75.2 | 147.3 | 95.2 | 57.9 | 0 | 0 | 0 | 0 | 116.7 | | |
| 458 | A | 28.4 | Very low | 28.1 | Very low | 99 Ų | 99 | 145.9 Ų | 145.9 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | trans | -81.7 | 153.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 459 | V | 28.2 | Very low | 28.3 | Very low | 144 Ų | 144 | 147.8 Ų | 147.8 | 87% | 0.873 | 77% | 0.772 | S | S | * | * | | | trans | -136.6 | 141.5 | 161.3 | 176 | 0 | 0 | 0 | 0 | 108.9 | | |
| 460 | R | 26.4 | Very low | 29 | Very low | 222 Ų | 222 | 145.8 Ų | 145.8 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | | | trans | -104.8 | 164.9 | 174.1 | -178.7 | -167 | -78.1 | 170.6 | -6.5 | 108.3 | | |
| 461 | M | 26.7 | Very low | 29.3 | Very low | 167 Ų | 167 | 144.8 Ų | 144.8 | 82% | 0.823 | 77% | 0.766 | S | S | * | * | | | trans | 93.9 | 121.1 | 176.5 | -54.6 | -166.5 | -176.6 | 0 | 0 | 112.5 | | |
| 462 | N | 26.6 | Very low | 29.7 | Very low | 136 Ų | 136 | 143 Ų | 143 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | | 91.7 | 142.3 | 78 | -155.9 | 39.1 | 0 | 0 | 0 | 109.3 | | |
| 463 | E | 27.1 | Very low | 30.3 | Very low | 162 Ų | 162 | 139.9 Ų | 139.9 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | | | cis | -149.1 | 171.1 | 16.2 | -163.4 | 163.2 | 142 | 0 | 0 | 112.6 | | |
| 464 | A | 27.5 | Very low | 30.7 | Very low | 83 Ų | 83 | 140.1 Ų | 140.1 | 69% | 0.686 | 76% | 0.764 | S | S | * | * | | | trans | -8.1 | 159.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 125.4 | | |
| 465 | A | 29.4 | Very low | 30.7 | Very low | 84 Ų | 84 | 140.3 Ų | 140.3 | 69% | 0.694 | 77% | 0.767 | S | S | * | * | | | trans | 76.9 | 126.7 | 155.1 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 466 | Y | 33.2 | Very low | 30.8 | Very low | 224 Ų | 224 | 140.8 Ų | 140.8 | 88% | 0.878 | 76% | 0.764 | S | S | * | * | | | | -144.7 | 160.6 | 64.2 | -116.4 | -100 | 0 | 0 | 0 | 116.1 | | |
| 467 | K | 32.8 | Very low | 31.4 | Very low | 174 Ų | 174 | 141.6 Ų | 141.6 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | | | trans | -86.9 | 149.9 | -167.4 | -52.7 | 158.6 | 179.5 | 173 | 0 | 113 | | |
| 468 | Q | 33.6 | Very low | 31.8 | Very low | 192 Ų | 192 | 140.9 Ų | 140.9 | 90% | 0.897 | 77% | 0.767 | S | S | * | * | | | | -174.2 | 165.6 | 106.8 | -99.7 | 167.2 | -12.8 | 0 | 0 | 114.7 | | |
| 469 | F | 31.1 | Very low | 32.1 | Very low | 182 Ų | 182 | 142.9 Ų | 142.9 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | | | trans | -96.1 | -178.3 | -168.7 | -91.9 | -90.1 | 0 | 0 | 0 | 111.9 | | |
| 470 | P | 39.3 | Very low | 32.2 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | | | cis | -130.5 | 162.6 | 20.6 | 47.2 | -30.7 | 0 | 0 | 0 | 114.9 | | |
| 471 | S | 32.5 | Very low | 32.6 | Very low | 79 Ų | 79 | 135.6 Ų | 135.6 | 55% | 0.552 | 76% | 0.764 | S | S | * | * | | | cis | 63.6 | 118.8 | 41.1 | 74.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 472 | T | 34.4 | Very low | 32.7 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | | | | -166.5 | -175.2 | 58.2 | 39.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 473 | T | 38.8 | Very low | 33.1 | Very low | 125 Ų | 125 | 134.2 Ų | 134.2 | 77% | 0.767 | 77% | 0.77 | S | S | * | * | | | trans | 83.5 | 142.6 | 168.3 | 69.3 | 0 | 0 | 0 | 0 | 119 | | |
| 474 | D | 35.1 | Very low | 33.2 | Very low | 143 Ų | 143 | 134.1 Ų | 134.1 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | | | cis | -165.8 | -175.2 | -34.8 | -130 | -67.7 | 0 | 0 | 0 | 113.4 | | |
| 475 | C | 32.3 | Very low | 33.4 | Very low | 112 Ų | 112 | 136.3 Ų | 136.3 | 76% | 0.757 | 78% | 0.78 | S | S | * | * | | | trans | 65.6 | 84.4 | 157.5 | -72.1 | 0 | 0 | 0 | 0 | 120.3 | | |
| 476 | Q | 31.7 | Very low | 33.7 | Very low | 159 Ų | 159 | 135.5 Ų | 135.5 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | | | trans | -78.7 | 161 | 139.3 | -85.4 | -83.9 | -30.6 | 0 | 0 | 109.9 | | |
| 477 | P | 38.4 | Very low | 34 | Very low | 122 Ų | 122 | 133.5 Ų | 133.5 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | | | | -147.5 | 151.1 | 91.1 | 37.5 | -20.3 | 0 | 0 | 0 | 116.6 | | |
| 478 | T | 33.4 | Very low | 34.2 | Very low | 118 Ų | 118 | 130 Ų | 130 | 72% | 0.724 | 78% | 0.776 | S | S | * | * | | | trans | -86.1 | 148.5 | 162.7 | 49 | 0 | 0 | 0 | 0 | 112.3 | | |
| 479 | T | 36.4 | Very low | 34 | Very low | 141 Ų | 141 | 127.5 Ų | 127.5 | 87% | 0.865 | 77% | 0.768 | S | S | * | * | | | trans | -147.2 | 153.2 | 155.1 | -23.7 | 0 | 0 | 0 | 0 | 112 | | |
| 480 | T | 29.6 | Very low | 33.9 | Very low | 145 Ų | 145 | 125.1 Ų | 125.1 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | | | trans | -108.1 | 153.3 | -173.5 | 44.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 481 | G | 34.3 | Very low | 33.4 | Very low | 69 Ų | 69 | 124 Ų | 124 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | | | trans | 160.9 | 105.8 | 173 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 482 | A | 29.4 | Very low | 33.3 | Very low | 98 Ų | 98 | 128.8 Ų | 128.8 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | | | | 77.3 | 144 | 53.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 483 | M | 34.4 | Very low | 33.1 | Very low | 175 Ų | 175 | 126.2 Ų | 126.2 | 86% | 0.862 | 77% | 0.773 | S | S | * | * | | | trans | 69.9 | 152 | -175.5 | -65.7 | -177.5 | 172 | 0 | 0 | 116.2 | | |
| 484 | Q | 30.3 | Very low | 32.8 | Very low | 161 Ų | 161 | 128.7 Ų | 128.7 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | | | cis | -169.2 | 154.5 | -38 | -124.1 | 175.8 | 17.1 | 0 | 0 | 108.3 | | |
| 485 | S | 31.4 | Very low | 32.6 | Very low | 129 Ų | 129 | 127.3 Ų | 127.3 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | | | trans | 62.7 | 154.1 | 171 | 76.4 | 0 | 0 | 0 | 0 | 116.8 | | |
| 486 | G | 35 | Very low | 32.6 | Very low | 67 Ų | 67 | 127 Ų | 127 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | | | cis | -167.8 | 152.5 | -8.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 487 | M | 40.5 | Very low | 32.6 | Very low | 181 Ų | 181 | 125.6 Ų | 125.6 | 89% | 0.892 | 76% | 0.756 | S | S | * | * | | | trans | -66 | 147.3 | 161.4 | -73.4 | -75.4 | 170 | 0 | 0 | 108.9 | | |
| 488 | P | 36.8 | Very low | 32.3 | Very low | 102 Ų | 102 | 128 Ų | 128 | 66% | 0.662 | 75% | 0.754 | S | S | * | * | | | | -142.9 | 135.5 | 106.5 | 36 | -21.9 | 0 | 0 | 0 | 115.1 | | |
| 489 | N | 29.3 | Very low | 32.2 | Very low | 138 Ų | 138 | 126.3 Ų | 126.3 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | | | | 51.8 | 143.7 | 119.5 | -53.2 | -24.5 | 0 | 0 | 0 | 121.9 | | |
| 490 | V | 28.6 | Very low | 31.8 | Very low | 133 Ų | 133 | 127.3 Ų | 127.3 | 81% | 0.806 | 75% | 0.746 | S | S | * | * | | | | 73.2 | 137 | 129 | 157.9 | 0 | 0 | 0 | 0 | 117 | | |
| 491 | C | 28.3 | Very low | 32 | Very low | 88 Ų | 88 | 126.9 Ų | 126.9 | 60% | 0.595 | 74% | 0.738 | S | S | * | * | | | cis | -152.1 | -175 | 4 | -137.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 492 | Q | 30.3 | Very low | 31.7 | Very low | 180 Ų | 180 | 132.5 Ų | 132.5 | 84% | 0.841 | 75% | 0.746 | S | S | * | * | | | trans | 47.8 | 119.1 | 146.5 | -69.4 | 153.2 | 27.1 | 0 | 0 | 118.1 | | |
| 493 | G | 31.1 | Very low | 31.8 | Very low | 65 Ų | 65 | 131 Ų | 131 | 67% | 0.67 | 74% | 0.739 | S | S | * | * | | | cis | 143.5 | -175 | 3.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 494 | E | 31.2 | Very low | 31.5 | Very low | 177 Ų | 177 | 131.3 Ų | 131.3 | 83% | 0.827 | 74% | 0.739 | S | S | * | * | | | trans | 66.2 | 138.9 | 160.3 | -57.4 | -146.4 | 163.7 | 0 | 0 | 116.9 | | |
| 495 | N | 31.4 | Very low | 31.4 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 61% | 0.61 | 74% | 0.737 | S | S | * | * | | | cis | -157.9 | 169.1 | -7.3 | -127.4 | -32.6 | 0 | 0 | 0 | 111.7 | | |
| 496 | V | 32 | Very low | 31.4 | Very low | 104 Ų | 104 | 130.1 Ų | 130.1 | 63% | 0.63 | 73% | 0.731 | S | S | * | * | | | trans | 25.4 | 121.1 | 134 | 163 | 0 | 0 | 0 | 0 | 116.2 | | |
| 497 | H | 32.7 | Very low | 31.3 | Very low | 131 Ų | 131 | 133.9 Ų | 133.9 | 61% | 0.606 | 73% | 0.73 | S | S | * | * | | | cis | -172.5 | 178.3 | 25.2 | -128.3 | 20.6 | 0 | 0 | 0 | 115.2 | | |
| 498 | K | 31.7 | Very low | 30.8 | Very low | 172 Ų | 172 | 132.9 Ų | 132.9 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | | | trans | 10.5 | 152.6 | 137 | -65.9 | 177.2 | -170.5 | 148.1 | 0 | 119.4 | | |
| 499 | A | 31.7 | Very low | 30.7 | Very low | 82 Ų | 82 | 133 Ų | 133 | 68% | 0.678 | 73% | 0.726 | S | S | * | * | | | cis | -173.8 | 161 | -12.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 500 | H | 28 | Very low | 31 | Very low | 162 Ų | 162 | 130.4 Ų | 130.4 | 75% | 0.75 | 73% | 0.725 | S | S | * | * | | | | 62.3 | 144.9 | 102.7 | -164.9 | 63.9 | 0 | 0 | 0 | 117.1 | | |
| 501 | L | 34.1 | Very low | 31.5 | Very low | 136 Ų | 136 | 130.6 Ų | 130.6 | 71% | 0.712 | 73% | 0.726 | S | S | * | * | | | trans | 71.3 | 135.8 | -175.9 | -49.3 | 172.6 | 0 | 0 | 0 | 114.2 | | |
| 502 | Q | 27.8 | Very low | 31.8 | Very low | 188 Ų | 188 | 130.5 Ų | 130.5 | 88% | 0.879 | 74% | 0.74 | S | S | * | * | | | cis | 85.9 | 130.9 | 16.3 | -157.8 | 168.1 | -14.7 | 0 | 0 | 115.3 | | |
| 503 | G | 31.3 | Very low | 32.1 | Very low | 65 Ų | 65 | 125.7 Ų | 125.7 | 67% | 0.67 | 74% | 0.739 | S | S | * | * | | | trans | 97.3 | 119.7 | -163.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 504 | Q | 27.8 | Very low | 32.2 | Very low | 183 Ų | 183 | 127.8 Ų | 127.8 | 86% | 0.855 | 75% | 0.75 | S | S | * | * | | | cis | 90.9 | 116.6 | 40.8 | -74.5 | -162.9 | -1.1 | 0 | 0 | 115 | | |
| 505 | V | 28.1 | Very low | 32.5 | Very low | 119 Ų | 119 | 128.3 Ų | 128.3 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | | | trans | 80.4 | 150.7 | 132.8 | 169.8 | 0 | 0 | 0 | 0 | 118.3 | | |
| 506 | L | 30.8 | Very low | 33.1 | Very low | 146 Ų | 146 | 129.2 Ų | 129.2 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | | | trans | 70.1 | 141.1 | 175.6 | -72.8 | 156.3 | 0 | 0 | 0 | 115.1 | | |
| 507 | E | 33.2 | Very low | 33.7 | Very low | 146 Ų | 146 | 129.7 Ų | 129.7 | 68% | 0.682 | 77% | 0.769 | S | S | * | * | | | cis | -133.1 | 159.6 | 4.8 | -77.1 | -143.7 | 94.7 | 0 | 0 | 115.5 | | |
| 508 | Q | 31.6 | Very low | 34.3 | Very low | 159 Ų | 159 | 129.9 Ų | 129.9 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | | | trans | -1.5 | 155.7 | 136.3 | -27.3 | -173.6 | 49 | 0 | 0 | 118.2 | | |
| 509 | S | 33.9 | Very low | 35 | Very low | 104 Ų | 104 | 128.4 Ų | 128.4 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | cis | -166.1 | 174 | 24.8 | 59.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 510 | A | 36.5 | Very low | 35.6 | Very low | 85 Ų | 85 | 127.6 Ų | 127.6 | 70% | 0.702 | 78% | 0.784 | S | S | * | * | | | trans | 62.5 | 152.7 | 153.7 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 511 | T | 38.4 | Very low | 36.6 | Very low | 136 Ų | 136 | 129.1 Ų | 129.1 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | | | cis | -162 | 140.3 | -29.1 | 28.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 512 | G | 34.5 | Very low | 37.4 | Very low | 86 Ų | 86 | 126.4 Ų | 126.4 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | | | trans | 67.6 | 128 | 148.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 513 | G | 36.7 | Very low | 39.1 | Very low | 79 Ų | 79 | 125.5 Ų | 125.5 | 81% | 0.814 | 77% | 0.772 | S | S | * | * | | | trans | 144.4 | 84.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | M515 | G513-M515 PolarHBondContact O-N 2.79Š|
| 514 | A | 32.5 | Very low | 40.6 | Very low | 110 Ų | 110 | 133.5 Ų | 133.5 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | | | trans | -76.5 | 122.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 515 | M | 38.7 | Very low | 42.5 | Very low | 187 Ų | 187 | 134.3 Ų | 134.3 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | | | trans | -127.1 | 141.5 | 162.7 | -73.6 | -158 | 172.5 | 0 | 0 | 110.5 | G513 | G513-M515 PolarHBondContact O-N 2.79Š|
| 516 | V | 42.9 | Very low | 44.8 | Very low | 133 Ų | 133 | 132.8 Ų | 132.8 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | | | trans | -70.6 | 129.6 | -175.2 | 179 | 0 | 0 | 0 | 0 | 110.4 | T518 | V516-T518 PolarHBondContact O-N 2.88Å; V516-T518 VanDerWaalsContact O-N 3.11Å |
| 517 | P | 45.6 | Very low | 46.8 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 74% | 0.74 | 76% | 0.759 | S | S | * | * | | | trans | -76.7 | 100.7 | -178.4 | 29.8 | -34.5 | 0 | 0 | 0 | 111.8 | V519 | P517-V519 PolarHBondContact O-N 2.73Š|
| 518 | T | 43.9 | Very low | 48.9 | Very low | 136 Ų | 136 | 131.4 Ų | 131.4 | 83% | 0.834 | 75% | 0.748 | S | S | * | * | | | trans | -62.4 | 121.5 | 170.9 | -50.2 | 0 | 0 | 0 | 0 | 110.6 | V516 G520 | V516-T518 PolarHBondContact O-N 2.88Å; V516-T518 VanDerWaalsContact O-N 3.11Å; T518-G520 PolarHBondContact O-N 2.87Å |
| 519 | V | 46.6 | Very low | 51.3 | Low | 141 Ų | 141 | 131.6 Ų | 131.6 | 86% | 0.855 | 74% | 0.742 | S | S | * | * | | | trans | -68.8 | 94.8 | -175.8 | -178 | 0 | 0 | 0 | 0 | 111.2 | P517 | P517-V519 PolarHBondContact O-N 2.73Š|
| 520 | G | 45.4 | Very low | 53.5 | Low | 64 Ų | 64 | 135.4 Ų | 135.4 | 66% | 0.66 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 130.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | T518 | T518-G520 PolarHBondContact O-N 2.87Š|
| 521 | K | 49.1 | Very low | 55.6 | Low | 194 Ų | 194 | 137.4 Ų | 137.4 | 84% | 0.843 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 135.7 | 173.6 | -65.3 | 172.5 | -177.6 | 172.4 | 0 | 109.5 | | |
| 522 | P | 50.3 | Low | 57.6 | Low | 79 Ų | 79 | 135.4 Ų | 135.4 | 51% | 0.513 | 71% | 0.714 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 142 | -173.7 | 23.6 | -34.4 | 0 | 0 | 0 | 111.9 | R527 | P522-R527 HydrophobicContact CG-CG 4.33Š|
| 523 | K | 63.4 | Low | 60 | Low | 169 Ų | 169 | 139.9 Ų | 139.9 | 74% | 0.735 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 143.5 | -176.3 | -77 | -178.6 | 175.7 | 177.5 | 0 | 110.4 | R525 D526 | K523-R525 PolarHBondContact O-N 3.39Å; K523-D526 PolarHBondContact O-N 3.46Å |
| 524 | R | 62 | Low | 62.1 | Low | 234 Ų | 234 | 140.9 Ų | 140.9 | 88% | 0.883 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -52 | -31.3 | -175 | -164.6 | 174.1 | 179.7 | -178.7 | -0.9 | 113 | Q528 | R524-Q528 PolarHBondContact O-N 3.14Å |
| 525 | R | 68.8 | Low | 64.3 | Low | 200 Ų | 200 | 139.1 Ų | 139.1 | 76% | 0.755 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -66.8 | -32.6 | 177.2 | -140.8 | 176.4 | -159.7 | 172.9 | 6.2 | 113.8 | K523 R529 | K523-R525 PolarHBondContact O-N 3.39Å; R525-R529 PolarHBondContact O-N 3.32Å |
| 526 | D | 76 | Confident | 66.5 | Low | 87 Ų | 87 | 132.9 Ų | 132.9 | 47% | 0.465 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -81.2 | -37.1 | -177.9 | -56.2 | -50.5 | 0 | 0 | 0 | 111.7 | K523 Q528 R529 R530 | K523-D526 PolarHBondContact O-N 3.46Å; D526-Q528 VanDerWaalsContact C-N 3.28Å; D526-Q528 PolarHBondContact O-N 3Å; D526-R529 PolarHBondContact O-N 3.44Å; D526-R530 PolarHBondContact O-N 3Å |
| 527 | R | 72 | Confident | 68.5 | Low | 164 Ų | 164 | 132.6 Ų | 132.6 | 62% | 0.619 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -61.4 | -38.7 | 168.2 | -79 | -174.1 | 168.2 | -164.8 | -4.6 | 111.5 | P522 K531 | P522-R527 HydrophobicContact CG-CG 4.33Å; R527-K531 PolarHBondContact O-N 2.97Å |
| 528 | Q | 79 | Confident | 70.3 | Confident | 99 Ų | 99 | 130.3 Ų | 130.3 | 46% | 0.463 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.1 | -48.9 | 174.5 | -177.9 | 61.4 | 23.4 | 0 | 0 | 111.3 | R524 D526 R530 K531 E532 | R524-Q528 PolarHBondContact O-N 3.14Å; D526-Q528 VanDerWaalsContact C-N 3.28Å; D526-Q528 PolarHBondContact O-N 3Å; Q528-R530 VanDerWaalsContact C-N 3.31Å; Q528-R530 PolarHBondContact O-N 2.91Å; Q528-K531 PolarHBondContact O-N 3.17Å; Q528-K531 VanDerWaalsContact O-N 3.16Å; Q528-E532 VanDerWaalsContact CG-OE1 3.29Å; Q528-E532 WeakPolarHBondContact CG-OE1 3.24Å; Q528-E532 PolarHBondContact NE2-OE1 2.99Å; Q528-E532 WeakPolarHBondContact O-CG 3.43Å; Q528-E532 PolarHBondContact O-N 3.25Å |
| 529 | R | 81.1 | Confident | 71.9 | Confident | 163 Ų | 163 | 126.5 Ų | 126.5 | 62% | 0.615 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.3 | -25.6 | 178.4 | -79 | -174.4 | 166.9 | -151.6 | -6.3 | 115 | R525 D526 R533 | R525-R529 PolarHBondContact O-N 3.32Å; D526-R529 PolarHBondContact O-N 3.44Å; R529-R533 WeakPolarHBondContact O-CG 3.27Å; R529-R533 PolarHBondContact O-N 3.2Å |
| 530 | R | 79.5 | Confident | 73.7 | Confident | 184 Ų | 184 | 124.9 Ų | 124.9 | 69% | 0.694 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69.2 | -51 | 168.3 | -75.7 | -169.5 | -179.2 | -169.9 | -0.7 | 111.2 | D526 Q528 E532 R533 E534 | D526-R530 PolarHBondContact O-N 3Å; Q528-R530 VanDerWaalsContact C-N 3.31Å; Q528-R530 PolarHBondContact O-N 2.91Å; R530-E532 PolarHBondContact O-N 2.96Å; R530-R533 WeakPolarHBondContact O-CB 3.39Å; R530-R533 PolarHBondContact O-N 3.08Å; R530-E534 WeakPolarHBondContact O-CG 3.43Å; R530-E534 PolarHBondContact O-N 3.16Å |
| 531 | K | 80.4 | Confident | 75.3 | Confident | 126 Ų | 126 | 124.2 Ų | 124.2 | 55% | 0.548 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -57.7 | -34.8 | 176.2 | -72 | -169.5 | 172 | -159.4 | 0 | 113.5 | R527 Q528 E534 I535 | R527-K531 PolarHBondContact O-N 2.97Å; Q528-K531 PolarHBondContact O-N 3.17Å; Q528-K531 VanDerWaalsContact O-N 3.16Å; K531-E534 WeakPolarHBondContact CA-OE2 3.36Å; K531-I535 WeakPolarHBondContact O-CB 3.39Å; K531-I535 WeakPolarHBondContact O-CD1 3.48Å; K531-I535 WeakPolarHBondContact O-CG1 3.27Å; K531-I535 PolarHBondContact O-N 3.2Å |
| 532 | E | 80.7 | Confident | 77 | Confident | 95 Ų | 95 | 117.1 Ų | 117.1 | 44% | 0.444 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.9 | -34.7 | 175.7 | -74 | 162.9 | 173.3 | 0 | 0 | 112.6 | Q528 R530 A536 | Q528-E532 VanDerWaalsContact CG-OE1 3.29Å; Q528-E532 WeakPolarHBondContact CG-OE1 3.24Å; Q528-E532 PolarHBondContact NE2-OE1 2.99Å; Q528-E532 WeakPolarHBondContact O-CG 3.43Å; Q528-E532 PolarHBondContact O-N 3.25Å; R530-E532 PolarHBondContact O-N 2.96Å; E532-A536 PolarHBondContact O-N 3.05Å; E532-A536 VanDerWaalsContact O-N 3.17Å |
| 533 | R | 84.7 | Confident | 78.7 | Confident | 179 Ų | 179 | 117.3 Ų | 117.3 | 68% | 0.675 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -72.4 | -47.3 | 171.9 | -67.1 | 177.5 | -172.7 | -163.6 | -1.1 | 112 | R529 R530 I535 A536 E537 | R529-R533 WeakPolarHBondContact O-CG 3.27Å; R529-R533 PolarHBondContact O-N 3.2Å; R530-R533 WeakPolarHBondContact O-CB 3.39Å; R530-R533 PolarHBondContact O-N 3.08Å; R533-I535 PolarHBondContact O-N 3.03Å; R533-A536 PolarHBondContact O-N 3.01Å; R533-E537 WeakPolarHBondContact O-CG 3.47Å; R533-E537 PolarHBondContact O-N 2.95Å |
| 534 | E | 81.4 | Confident | 79.5 | Confident | 101 Ų | 101 | 116.4 Ų | 116.4 | 47% | 0.472 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -54.6 | -37.1 | 176 | -67.1 | 156 | -158.3 | 0 | 0 | 111.3 | R530 K531 V538 | R530-E534 WeakPolarHBondContact O-CG 3.43Å; R530-E534 PolarHBondContact O-N 3.16Å; K531-E534 WeakPolarHBondContact CA-OE2 3.36Å; E534-V538 VanDerWaalsContact O-CG2 3.3Å; E534-V538 WeakPolarHBondContact O-CG2 3.14Å; E534-V538 PolarHBondContact O-N 2.92Å |
| 535 | I | 80 | Confident | 80.3 | Confident | 72 Ų | 72 | 110.9 Ų | 110.9 | 37% | 0.369 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.1 | -42.2 | 174.2 | -71.2 | 165.1 | 0 | 0 | 0 | 112.1 | K531 R533 V538 D539 | K531-I535 WeakPolarHBondContact O-CB 3.39Å; K531-I535 WeakPolarHBondContact O-CD1 3.48Å; K531-I535 WeakPolarHBondContact O-CG1 3.27Å; K531-I535 PolarHBondContact O-N 3.2Å; R533-I535 PolarHBondContact O-N 3.03Å; I535-V538 PolarHBondContact O-N 2.85Å; I535-D539 PolarHBondContact O-N 3.14Å |
| 536 | A | 84.5 | Confident | 80.8 | Confident | 57 Ų | 57 | 105.7 Ų | 105.7 | 47% | 0.471 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.1 | -37.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E532 R533 D539 Q540 | E532-A536 PolarHBondContact O-N 3.05Å; E532-A536 VanDerWaalsContact O-N 3.17Å; R533-A536 PolarHBondContact O-N 3.01Å; A536-D539 PolarHBondContact O-N 3.32Å; A536-Q540 WeakPolarHBondContact O-CB 3.39Å; A536-Q540 PolarHBondContact O-N 2.9Å |
| 537 | E | 83.5 | Confident | 81 | Confident | 126 Ų | 126 | 105 Ų | 105 | 59% | 0.589 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64 | -39.9 | 175.2 | -72.9 | 165.8 | -163.4 | 0 | 0 | 111.2 | R533 Q540 A541 | R533-E537 WeakPolarHBondContact O-CG 3.47Å; R533-E537 PolarHBondContact O-N 2.95Å; E537-Q540 PolarHBondContact O-N 3.16Å; E537-A541 WeakPolarHBondContact O-CB 3.36Å; E537-A541 PolarHBondContact O-N 3.47Å |
| 538 | V | 83.7 | Confident | 81 | Confident | 67 Ų | 67 | 102.3 Ų | 102.3 | 41% | 0.406 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.6 | -41.8 | 173.9 | 171.2 | 0 | 0 | 0 | 0 | 112.4 | E534 I535 Q540 A541 L542 | E534-V538 VanDerWaalsContact O-CG2 3.3Å; E534-V538 WeakPolarHBondContact O-CG2 3.14Å; E534-V538 PolarHBondContact O-N 2.92Å; I535-V538 PolarHBondContact O-N 2.85Å; V538-Q540 VanDerWaalsContact C-N 3.29Å; V538-Q540 PolarHBondContact O-N 3.43Å; V538-A541 PolarHBondContact O-N 2.86Å; V538-L542 WeakPolarHBondContact O-CB 3.38Å; V538-L542 PolarHBondContact O-N 3.04Å |
| 539 | D | 78.3 | Confident | 80.7 | Confident | 55 Ų | 55 | 102.3 Ų | 102.3 | 29% | 0.294 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.6 | -35.4 | 176.4 | -147.9 | 69 | 0 | 0 | 0 | 110.5 | I535 A536 N543 K989 | I535-D539 PolarHBondContact O-N 3.14Å; A536-D539 PolarHBondContact O-N 3.32Å; D539-N543 PolarHBondContact O-N 2.93Å; D539-N543 PolarHBondContact O-ND2 3.42Å; D539-K989 VanDerWaalsContact CG-NZ 3.28Å; D539-K989 IonicContact OD1-NZ 3.33Å; D539-K989 PolarHBondContact OD1-NZ 2.74Å; D539-K989 IonicContact OD2-NZ 2.88Å; D539-K989 PolarHBondContact OD2-NZ 3.02Å |
| 540 | Q | 84.5 | Confident | 80.3 | Confident | 108 Ų | 108 | 97.8 Ų | 97.8 | 51% | 0.505 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.2 | -40.1 | 172.8 | -163.2 | -176.1 | 38.7 | 0 | 0 | 112.6 | A536 E537 V538 N543 R544 | A536-Q540 WeakPolarHBondContact O-CB 3.39Å; A536-Q540 PolarHBondContact O-N 2.9Å; E537-Q540 PolarHBondContact O-N 3.16Å; V538-Q540 VanDerWaalsContact C-N 3.29Å; V538-Q540 PolarHBondContact O-N 3.43Å; Q540-N543 PolarHBondContact O-N 3.23Å; Q540-R544 WeakPolarHBondContact O-CG 3.4Å; Q540-R544 PolarHBondContact O-N 2.95Å; Q540-R544 VanDerWaalsContact O-N 3.08Å |
| 541 | A | 78.6 | Confident | 79.5 | Confident | 49 Ų | 49 | 97.5 Ų | 97.5 | 41% | 0.405 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64 | -42.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E537 V538 N543 R544 H545 | E537-A541 WeakPolarHBondContact O-CB 3.36Å; E537-A541 PolarHBondContact O-N 3.47Å; V538-A541 PolarHBondContact O-N 2.86Å; A541-N543 PolarHBondContact O-N 2.98Å; A541-R544 WeakPolarHBondContact O-CB 3.39Å; A541-R544 PolarHBondContact O-N 2.98Å; A541-H545 PolarHBondContact O-N 3.34Å |
| 542 | L | 85 | Confident | 78.2 | Confident | 45 Ų | 45 | 98 Ų | 98 | 24% | 0.236 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -58.3 | -48.3 | 174.2 | -173.6 | 81 | 0 | 0 | 0 | 111.4 | V538 R544 H545 L546 I985 | V538-L542 WeakPolarHBondContact O-CB 3.38Å; V538-L542 PolarHBondContact O-N 3.04Å; L542-R544 VanDerWaalsContact C-N 3.29Å; L542-R544 PolarHBondContact O-N 3.21Å; L542-H545 PolarHBondContact O-N 3.01Å; L542-H545 VanDerWaalsContact O-N 3.08Å; L542-L546 HydrophobicContact CD2-CD1 4.23Å; L542-L546 HydrophobicContact CG-CD1 4.03Å; L542-L546 HydrophobicContact CG-CG 4.45Å; L542-L546 WeakPolarHBondContact O-CG 3.17Å; L542-L546 PolarHBondContact O-N 3.2Å; L542-I985 HydrophobicContact CD1-CD1 4.02Å; L542-I985 HydrophobicContact CD1-CG2 4.39Å; L542-I985 HydrophobicContact CD2-CG2 3.85Å |
| 543 | N | 84.9 | Confident | 76.5 | Confident | 84 Ų | 84 | 97.7 Ų | 97.7 | 45% | 0.449 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.2 | -36.1 | 178.5 | -80.2 | -60.4 | 0 | 0 | 0 | 112.4 | D539 Q540 A541 T547 | D539-N543 PolarHBondContact O-N 2.93Å; D539-N543 PolarHBondContact O-ND2 3.42Å; Q540-N543 PolarHBondContact O-N 3.23Å; A541-N543 PolarHBondContact O-N 2.98Å; N543-T547 WeakPolarHBondContact O-CB 3.47Å; N543-T547 PolarHBondContact O-N 3.42Å; N543-T547 PolarHBondContact O-OG1 2.93Å |
| 544 | R | 81.4 | Confident | 74.4 | Confident | 150 Ų | 150 | 98.8 Ų | 98.8 | 57% | 0.566 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.8 | -45.1 | 171.4 | -69.2 | 174.8 | -170.7 | 165.5 | 7.2 | 111.5 | Q540 A541 L542 T547 M548 | Q540-R544 WeakPolarHBondContact O-CG 3.4Å; Q540-R544 PolarHBondContact O-N 2.95Å; Q540-R544 VanDerWaalsContact O-N 3.08Å; A541-R544 WeakPolarHBondContact O-CB 3.39Å; A541-R544 PolarHBondContact O-N 2.98Å; L542-R544 VanDerWaalsContact C-N 3.29Å; L542-R544 PolarHBondContact O-N 3.21Å; R544-T547 WeakPolarHBondContact O-CB 3.23Å; R544-T547 PolarHBondContact O-N 2.91Å; R544-M548 WeakPolarHBondContact O-CG 3.37Å; R544-M548 PolarHBondContact O-N 3.26Å |
| 545 | H | 79.2 | Confident | 72.3 | Confident | 117 Ų | 117 | 99 Ų | 99 | 54% | 0.542 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.6 | -45.5 | 178.9 | -116.8 | -75.2 | 0 | 0 | 0 | 112.6 | A541 L542 T547 M548 L549 | A541-H545 PolarHBondContact O-N 3.34Å; L542-H545 PolarHBondContact O-N 3.01Å; L542-H545 VanDerWaalsContact O-N 3.08Å; H545-T547 VanDerWaalsContact C-N 3.29Å; H545-T547 PolarHBondContact O-N 2.73Å; H545-M548 PolarHBondContact O-N 2.91Å; H545-M548 VanDerWaalsContact O-N 3.12Å; H545-L549 WeakPolarHBondContact O-CG 3.46Å; H545-L549 PolarHBondContact O-N 3.02Å |
| 546 | L | 78.9 | Confident | 70.1 | Confident | 91 Ų | 91 | 100.4 Ų | 100.4 | 48% | 0.476 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60 | -39.6 | 173.6 | -69.3 | 170.6 | 0 | 0 | 0 | 111.5 | L542 M548 L549 A550 | L542-L546 HydrophobicContact CD2-CD1 4.23Å; L542-L546 HydrophobicContact CG-CD1 4.03Å; L542-L546 HydrophobicContact CG-CG 4.45Å; L542-L546 WeakPolarHBondContact O-CG 3.17Å; L542-L546 PolarHBondContact O-N 3.2Å; L546-M548 VanDerWaalsContact C-N 3.34Å; L546-M548 PolarHBondContact O-N 3.14Å; L546-L549 PolarHBondContact O-N 3.25Å; L546-A550 WeakPolarHBondContact O-CB 3.48Å; L546-A550 PolarHBondContact O-N 2.94Å |
| 547 | T | 79.8 | Confident | 67.9 | Low | 73 Ų | 73 | 104.3 Ų | 104.3 | 45% | 0.448 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66 | -33.3 | 174.8 | -56.4 | 0 | 0 | 0 | 0 | 112.6 | N543 R544 H545 R551 | N543-T547 WeakPolarHBondContact O-CB 3.47Å; N543-T547 PolarHBondContact O-N 3.42Å; N543-T547 PolarHBondContact O-OG1 2.93Å; R544-T547 WeakPolarHBondContact O-CB 3.23Å; R544-T547 PolarHBondContact O-N 2.91Å; H545-T547 VanDerWaalsContact C-N 3.29Å; H545-T547 PolarHBondContact O-N 2.73Å; T547-R551 VanDerWaalsContact O-CG 3.26Å; T547-R551 WeakPolarHBondContact O-CG 3.29Å; T547-R551 PolarHBondContact O-N 2.76Å |
| 548 | M | 72.4 | Confident | 65.5 | Low | 107 Ų | 107 | 103.7 Ų | 103.7 | 53% | 0.527 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -71.7 | -43.8 | 173.1 | -64.6 | -149.9 | -53.5 | 0 | 0 | 111.8 | R544 H545 L546 A550 R551 N552 | R544-M548 WeakPolarHBondContact O-CG 3.37Å; R544-M548 PolarHBondContact O-N 3.26Å; H545-M548 PolarHBondContact O-N 2.91Å; H545-M548 VanDerWaalsContact O-N 3.12Å; L546-M548 VanDerWaalsContact C-N 3.34Å; L546-M548 PolarHBondContact O-N 3.14Å; M548-A550 PolarHBondContact O-N 3.02Å; M548-R551 PolarHBondContact O-N 2.66Å; M548-N552 PolarHBondContact O-N 2.98Å; M548-N552 PolarHBondContact O-OD1 3.2Å |
| 549 | L | 72.8 | Confident | 63.3 | Low | 100 Ų | 100 | 107.2 Ų | 107.2 | 52% | 0.524 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -59.9 | -45.4 | 176.4 | -68.6 | 170.9 | 0 | 0 | 0 | 111.2 | H545 L546 R551 N552 S553 | H545-L549 WeakPolarHBondContact O-CG 3.46Å; H545-L549 PolarHBondContact O-N 3.02Å; L546-L549 PolarHBondContact O-N 3.25Å; L549-R551 PolarHBondContact O-N 3.41Å; L549-N552 PolarHBondContact O-N 2.92Å; L549-N552 VanDerWaalsContact O-N 3.16Å; L549-S553 WeakPolarHBondContact O-CB 3.45Å; L549-S553 PolarHBondContact O-N 3.47Å; L549-S553 PolarHBondContact O-OG 3.46Å |
| 550 | A | 71.3 | Confident | 61.1 | Low | 67 Ų | 67 | 108.7 Ų | 108.7 | 55% | 0.554 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -67.4 | -15.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L546 M548 S553 | L546-A550 WeakPolarHBondContact O-CB 3.48Å; L546-A550 PolarHBondContact O-N 2.94Å; M548-A550 PolarHBondContact O-N 3.02Å; A550-S553 WeakPolarHBondContact CA-OG 3.16Å |
| 551 | R | 64.6 | Low | 58.7 | Low | 178 Ų | 178 | 110.5 Ų | 110.5 | 67% | 0.672 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -88.6 | -33.5 | 170.7 | -78.2 | 173.5 | 176.4 | -167.1 | -2.1 | 112.3 | T547 M548 L549 | T547-R551 VanDerWaalsContact O-CG 3.26Å; T547-R551 WeakPolarHBondContact O-CG 3.29Å; T547-R551 PolarHBondContact O-N 2.76Å; M548-R551 PolarHBondContact O-N 2.66Å; L549-R551 PolarHBondContact O-N 3.41Å |
| 552 | N | 52.5 | Low | 56.5 | Low | 136 Ų | 136 | 115.1 Ų | 115.1 | 73% | 0.727 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -79.2 | -24.6 | 177.2 | -68.2 | 6.2 | 0 | 0 | 0 | 112.3 | M548 L549 R554 | M548-N552 PolarHBondContact O-N 2.98Å; M548-N552 PolarHBondContact O-OD1 3.2Å; L549-N552 PolarHBondContact O-N 2.92Å; L549-N552 VanDerWaalsContact O-N 3.16Å; N552-R554 PolarHBondContact O-N 2.99Å |
| 553 | S | 44.9 | Very low | 53.9 | Low | 89 Ų | 89 | 123 Ų | 123 | 62% | 0.622 | 65% | 0.648 | S | S | * | * | | | trans | -79.6 | 33.4 | 175.6 | 71.7 | 0 | 0 | 0 | 0 | 113.9 | L549 A550 | L549-S553 WeakPolarHBondContact O-CB 3.45Å; L549-S553 PolarHBondContact O-N 3.47Å; L549-S553 PolarHBondContact O-OG 3.46Å; A550-S553 WeakPolarHBondContact CA-OG 3.16Å |
| 554 | R | 39.7 | Very low | 51.4 | Low | 202 Ų | 202 | 126.7 Ų | 126.7 | 76% | 0.762 | 66% | 0.663 | S | S | * | * | | | trans | -84.8 | 134.9 | 169.2 | -75.3 | -176.8 | 168.6 | -151.2 | -6.2 | 108.8 | N552 A556 | N552-R554 PolarHBondContact O-N 2.99Å; R554-A556 PolarHBondContact O-N 3.1Å |
| 555 | P | 37.5 | Very low | 48.9 | Very low | 105 Ų | 105 | 125.2 Ų | 125.2 | 68% | 0.682 | 67% | 0.671 | S | S | * | * | | | trans | -61.5 | 139.4 | 174.5 | 27.4 | -33.8 | 0 | 0 | 0 | 109.8 | D557 | P555-D557 VanDerWaalsContact C-N 3.35Å; P555-D557 PolarHBondContact O-N 2.87Å; P555-D557 VanDerWaalsContact O-N 3.12Å |
| 556 | A | 34.4 | Very low | 46.5 | Very low | 103 Ų | 103 | 125.6 Ų | 125.6 | 85% | 0.851 | 68% | 0.681 | S | S | * | * | | | trans | -80.7 | 86.3 | 171 | 0 | 0 | 0 | 0 | 0 | 108.6 | R554 S558 | R554-A556 PolarHBondContact O-N 3.1Å; A556-S558 PolarHBondContact O-N 3.12Å |
| 557 | D | 37.9 | Very low | 44.3 | Very low | 139 Ų | 139 | 130.2 Ų | 130.2 | 74% | 0.743 | 70% | 0.697 | S | S | * | * | | | trans | -55.3 | 127.9 | 175.2 | -70.9 | -39.2 | 0 | 0 | 0 | 110.1 | P555 V559 | P555-D557 VanDerWaalsContact C-N 3.35Å; P555-D557 PolarHBondContact O-N 2.87Å; P555-D557 VanDerWaalsContact O-N 3.12Å; D557-V559 PolarHBondContact O-N 2.64Å |
| 558 | S | 33.6 | Very low | 42 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 78% | 0.783 | 71% | 0.708 | S | S | * | * | | | trans | -75 | 113.3 | -167 | 47.1 | 0 | 0 | 0 | 0 | 111.7 | A556 S560 | A556-S558 PolarHBondContact O-N 3.12Å; S558-S560 PolarHBondContact O-N 3.44Å |
| 559 | V | 37.2 | Very low | 40.1 | Very low | 141 Ų | 141 | 136.8 Ų | 136.8 | 86% | 0.855 | 72% | 0.719 | S | S | * | * | | | trans | -69.5 | 83.7 | 171.8 | -177.9 | 0 | 0 | 0 | 0 | 109 | D557 L561 | D557-V559 PolarHBondContact O-N 2.64Å; V559-L561 PolarHBondContact O-N 3.37Å |
| 560 | S | 32.1 | Very low | 38.2 | Very low | 86 Ų | 86 | 139.2 Ų | 139.2 | 60% | 0.601 | 73% | 0.733 | S | S | * | * | | | trans | -67.6 | 100.9 | 177.8 | -174.2 | 0 | 0 | 0 | 0 | 109.7 | S558 K562 | S558-S560 PolarHBondContact O-N 3.44Å; S560-K562 PolarHBondContact O-N 2.91Å |
| 561 | L | 33.1 | Very low | 36.5 | Very low | 147 Ų | 147 | 140 Ų | 140 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | | | trans | -76.4 | 72.1 | 179.1 | -144 | 170.4 | 0 | 0 | 0 | 109.8 | V559 Y563 | V559-L561 PolarHBondContact O-N 3.37Å; L561-Y563 PolarHBondContact O-N 3.46Å |
| 562 | K | 34.1 | Very low | 35 | Very low | 146 Ų | 146 | 136.1 Ų | 136.1 | 64% | 0.635 | 75% | 0.753 | S | S | * | * | | | trans | -65.1 | 104 | 179.7 | -74.7 | -175.4 | 177 | 178.6 | 0 | 111 | S560 Q564 | S560-K562 PolarHBondContact O-N 2.91Å; K562-Q564 HydrophobicContact CB-CG 4.49Å; K562-Q564 PolarHBondContact O-N 3.26Å |
| 563 | Y | 29.4 | Very low | 34.2 | Very low | 209 Ų | 209 | 135.4 Ų | 135.4 | 82% | 0.82 | 76% | 0.756 | S | S | * | * | | | trans | -65 | 89 | 150.4 | -90.5 | -92.2 | 0 | 0 | 0 | 109 | L561 | L561-Y563 PolarHBondContact O-N 3.46Š|
| 564 | Q | 32.1 | Very low | 33.5 | Very low | 163 Ų | 163 | 135.6 Ų | 135.6 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | | | trans | -97.2 | 78.1 | 165.5 | -91.6 | -170.4 | -31.8 | 0 | 0 | 110.4 | K562 T566 | K562-Q564 HydrophobicContact CB-CG 4.49Å; K562-Q564 PolarHBondContact O-N 3.26Å; Q564-T566 PolarHBondContact O-N 2.94Å |
| 565 | T | 29.2 | Very low | 33.1 | Very low | 119 Ų | 119 | 137 Ų | 137 | 73% | 0.73 | 76% | 0.762 | S | S | * | * | | | trans | -72.7 | 113.1 | 161.1 | -51 | 0 | 0 | 0 | 0 | 108.6 | | |
| 566 | T | 29.5 | Very low | 32.7 | Very low | 125 Ų | 125 | 136 Ų | 136 | 77% | 0.767 | 76% | 0.764 | S | S | * | * | | | trans | 179.9 | 116.1 | 147.5 | 17.4 | 0 | 0 | 0 | 0 | 110.9 | Q564 | Q564-T566 PolarHBondContact O-N 2.94Š|
| 567 | K | 31.6 | Very low | 33.1 | Very low | 187 Ų | 187 | 136.8 Ų | 136.8 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | | | | -178.9 | 137.7 | 115 | -101.7 | 172.1 | -176.4 | 180 | 0 | 114.2 | | |
| 568 | N | 31.5 | Very low | 32.5 | Very low | 126 Ų | 126 | 140.3 Ų | 140.3 | 67% | 0.674 | 77% | 0.769 | S | S | * | * | | | trans | 84.3 | 146.8 | 153.8 | -53.2 | -7.1 | 0 | 0 | 0 | 120 | | |
| 569 | Y | 33.3 | Very low | 32.2 | Very low | 192 Ų | 192 | 139 Ų | 139 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | | | trans | 77 | 87.1 | 168.7 | -61.3 | -68.4 | 0 | 0 | 0 | 119.5 | | |
| 570 | D | 33.3 | Very low | 31.7 | Very low | 152 Ų | 152 | 137 Ų | 137 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | | | | 58.1 | 128.5 | 121.3 | -53.1 | -6.5 | 0 | 0 | 0 | 120.9 | | |
| 571 | G | 35.7 | Very low | 31.3 | Very low | 84 Ų | 84 | 140.6 Ų | 140.6 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | | | trans | 145.8 | 65.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 572 | A | 31.4 | Very low | 31 | Very low | 95 Ų | 95 | 141.1 Ų | 141.1 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | | | trans | -95.2 | 171.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 573 | P | 36.6 | Very low | 30.6 | Very low | 121 Ų | 121 | 140.6 Ų | 140.6 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | | | cis | -137.8 | -165.9 | -0.2 | 39.5 | -19.7 | 0 | 0 | 0 | 114.8 | | |
| 574 | S | 31 | Very low | 30.4 | Very low | 93 Ų | 93 | 141.2 Ų | 141.2 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | | | trans | 83.7 | 108.8 | 138.8 | -174.7 | 0 | 0 | 0 | 0 | 121.4 | | |
| 575 | R | 31 | Very low | 30.4 | Very low | 231 Ų | 231 | 137.9 Ų | 137.9 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | | | | 47.9 | 149.1 | 129.2 | -65.4 | 173.2 | 159.8 | 171.4 | -7.7 | 120.3 | | |
| 576 | A | 29.6 | Very low | 30.7 | Very low | 86 Ų | 86 | 136.8 Ų | 136.8 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | | | cis | -173.9 | 160.7 | -14.3 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 577 | P | 41.9 | Very low | 30.5 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | | | trans | -90.8 | 149.8 | -164.5 | 35.2 | -35.5 | 0 | 0 | 0 | 114.5 | | |
| 578 | F | 26.4 | Very low | 30.3 | Very low | 212 Ų | 212 | 136 Ų | 136 | 93% | 0.93 | 76% | 0.762 | S | S | * | * | | | trans | -154.2 | 164.2 | 161.1 | -107.7 | -76.1 | 0 | 0 | 0 | 111.7 | | |
| 579 | A | 25.7 | Very low | 30.2 | Very low | 84 Ų | 84 | 136 Ų | 136 | 69% | 0.694 | 76% | 0.761 | S | S | * | * | | | trans | 20.4 | 117.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 580 | A | 26.9 | Very low | 30.2 | Very low | 99 Ų | 99 | 132.5 Ų | 132.5 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | | 69.1 | 139 | 57 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 581 | E | 25.1 | Very low | 29.9 | Very low | 163 Ų | 163 | 131.1 Ų | 131.1 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | | | trans | 80.4 | 153.5 | 164 | -132.2 | 169.9 | -157.6 | 0 | 0 | 119.6 | | |
| 582 | F | 25.4 | Very low | 29.8 | Very low | 157 Ų | 157 | 134.7 Ų | 134.7 | 69% | 0.689 | 75% | 0.752 | S | S | * | * | | | trans | 63.2 | 112.9 | 166.1 | -65.9 | -63.3 | 0 | 0 | 0 | 122.8 | | |
| 583 | L | 26.1 | Very low | 29.8 | Very low | 135 Ų | 135 | 141 Ų | 141 | 71% | 0.707 | 76% | 0.756 | S | S | * | * | | | | 88.6 | 105.6 | 127.3 | -64.2 | 170.3 | 0 | 0 | 0 | 122.7 | | |
| 584 | R | 25.2 | Very low | 29.9 | Very low | 222 Ų | 222 | 140.2 Ų | 140.2 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | | | | 72.4 | 63.6 | 104.7 | -158.9 | -166.7 | -177.4 | 112.5 | -2.9 | 119.6 | | |
| 585 | A | 32.1 | Very low | 29.7 | Very low | 93 Ų | 93 | 140.8 Ų | 140.8 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | | | trans | 58.8 | -163.9 | 147.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 586 | P | 36 | Very low | 29.7 | Very low | 96 Ų | 96 | 134.5 Ų | 134.5 | 62% | 0.623 | 75% | 0.746 | S | S | * | * | | | cis | -116 | -152.8 | -27.7 | 29.9 | -9.7 | 0 | 0 | 0 | 111.6 | | |
| 587 | F | 25.9 | Very low | 29.5 | Very low | 183 Ų | 183 | 134.8 Ų | 134.8 | 80% | 0.803 | 74% | 0.743 | S | S | * | * | | | trans | 82.3 | 154.6 | 169.6 | -52.9 | -68.5 | 0 | 0 | 0 | 118.9 | | |
| 588 | V | 26.3 | Very low | 29.3 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 68% | 0.679 | 75% | 0.745 | S | S | * | * | | | cis | 179.4 | 118.3 | -48.6 | 134.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 589 | L | 30.5 | Very low | 29.3 | Very low | 126 Ų | 126 | 129.1 Ų | 129.1 | 66% | 0.66 | 73% | 0.733 | S | S | * | * | | | trans | 58.6 | 172.8 | 157.5 | -54.5 | 175.1 | 0 | 0 | 0 | 115.6 | I591 | L589-I591 HydrophobicContact CB-CG1 4.26Å; L589-I591 HydrophobicContact CD1-CD1 3.88Å; L589-I591 HydrophobicContact CD1-CG1 4.09Å; L589-I591 HydrophobicContact CD2-CG1 4.24Å; L589-I591 HydrophobicContact CG-CG1 4.42Å |
| 590 | P | 32.4 | Very low | 29.8 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | | | cis | -77.2 | 159.6 | 15.1 | -12.2 | 32 | 0 | 0 | 0 | 113.6 | | |
| 591 | I | 26.6 | Very low | 30.4 | Very low | 123 Ų | 123 | 134.7 Ų | 134.7 | 63% | 0.631 | 73% | 0.731 | S | S | * | * | | | cis | 61.4 | 100.3 | 36.7 | -56.2 | 178.7 | 0 | 0 | 0 | 113.6 | L589 | L589-I591 HydrophobicContact CB-CG1 4.26Å; L589-I591 HydrophobicContact CD1-CD1 3.88Å; L589-I591 HydrophobicContact CD1-CG1 4.09Å; L589-I591 HydrophobicContact CD2-CG1 4.24Å; L589-I591 HydrophobicContact CG-CG1 4.42Å |
| 592 | D | 33.2 | Very low | 30.7 | Very low | 158 Ų | 158 | 134 Ų | 134 | 85% | 0.845 | 73% | 0.732 | S | S | * | * | | | | -151.8 | 145.8 | 125.4 | -127.6 | -32.6 | 0 | 0 | 0 | 112.1 | | |
| 593 | R | 32 | Very low | 31 | Very low | 227 Ų | 227 | 130.9 Ų | 130.9 | 86% | 0.857 | 73% | 0.729 | S | S | * | * | | | trans | -159.4 | 97.2 | -171.1 | -172.1 | -167 | -170 | -172.3 | 6.4 | 114.2 | | |
| 594 | P | 39.7 | Very low | 31.2 | Very low | 106 Ų | 106 | 134.7 Ų | 134.7 | 69% | 0.688 | 73% | 0.734 | S | S | * | * | | | trans | -73.9 | 142.3 | 145.8 | -10.2 | 29 | 0 | 0 | 0 | 108.7 | | |
| 595 | S | 26.9 | Very low | 31.3 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | | | cis | 66.9 | 135.7 | 32 | 98.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 596 | S | 29.5 | Very low | 31.1 | Very low | 98 Ų | 98 | 129.4 Ų | 129.4 | 69% | 0.685 | 73% | 0.729 | S | S | * | * | | | cis | -155.1 | 164.3 | 3.1 | 54.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 597 | S | 26.6 | Very low | 30.8 | Very low | 92 Ų | 92 | 129.9 Ų | 129.9 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | | | trans | 34.4 | 107.9 | 147 | 59.9 | 0 | 0 | 0 | 0 | 120.2 | | |
| 598 | S | 36.4 | Very low | 31 | Very low | 116 Ų | 116 | 127.5 Ų | 127.5 | 81% | 0.811 | 74% | 0.735 | S | S | * | * | | | | -158.7 | 116.5 | 100.7 | -79.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 599 | S | 27.3 | Very low | 31.1 | Very low | 96 Ų | 96 | 126.8 Ų | 126.8 | 67% | 0.671 | 74% | 0.736 | S | S | * | * | | | cis | 62.1 | 98.8 | 43.9 | 85.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 600 | E | 35.7 | Very low | 31.3 | Very low | 173 Ų | 173 | 126.1 Ų | 126.1 | 81% | 0.808 | 74% | 0.739 | S | S | * | * | | | trans | 153.6 | 124.3 | 155.6 | -81.6 | -126.4 | 144.7 | 0 | 0 | 107.9 | | |
| 601 | L | 39.9 | Very low | 31 | Very low | 128 Ų | 128 | 125.7 Ų | 125.7 | 67% | 0.67 | 73% | 0.734 | S | S | * | * | | | cis | -138.3 | 156.1 | -9.5 | -83.4 | 172.2 | 0 | 0 | 0 | 110.9 | | |
| 602 | L | 32.2 | Very low | 31 | Very low | 149 Ų | 149 | 124.2 Ų | 124.2 | 78% | 0.78 | 72% | 0.724 | S | S | * | * | | | trans | 1.4 | 147.7 | 143.5 | -78.4 | 63.1 | 0 | 0 | 0 | 117.2 | | |
| 603 | S | 30.3 | Very low | 30.7 | Very low | 90 Ų | 90 | 123 Ų | 123 | 63% | 0.629 | 71% | 0.712 | S | S | * | * | | | cis | 179.9 | 170.2 | 13.9 | -104.2 | 0 | 0 | 0 | 0 | 106.9 | | |
| 604 | R | 31.4 | Very low | 30.3 | Very low | 216 Ų | 216 | 114.4 Ų | 114.4 | 82% | 0.815 | 68% | 0.684 | S | S | * | * | | | cis | -156.7 | 146 | 0.4 | -117.5 | 154.6 | 150 | -169.6 | -7.9 | 104.3 | | |
| 605 | C | 26.1 | Very low | 29.8 | Very low | 120 Ų | 120 | 116.8 Ų | 116.8 | 81% | 0.811 | 68% | 0.681 | S | S | * | * | | | | 42.3 | 130.9 | 88.7 | -44.5 | 0 | 0 | 0 | 0 | 114.2 | | |
| 606 | A | 29.2 | Very low | 30.1 | Very low | 84 Ų | 84 | 119 Ų | 119 | 69% | 0.694 | 68% | 0.684 | S | S | * | * | | | cis | -166.3 | -168.3 | -5 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 607 | S | 28.4 | Very low | 30.1 | Very low | 105 Ų | 105 | 118.9 Ų | 118.9 | 73% | 0.734 | 68% | 0.68 | S | S | * | * | | | trans | 10.5 | 119.6 | 145.2 | 58.3 | 0 | 0 | 0 | 0 | 118.7 | | |
| 608 | T | 31.2 | Very low | 30 | Very low | 133 Ų | 133 | 122.3 Ų | 122.3 | 82% | 0.816 | 69% | 0.69 | S | S | * | * | | | | -162.5 | 130.7 | 121.3 | -75.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 609 | S | 27.3 | Very low | 29.5 | Very low | 98 Ų | 98 | 121.5 Ų | 121.5 | 69% | 0.685 | 69% | 0.685 | S | S | * | * | | | trans | -94.6 | 128.2 | 169.6 | 54.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 610 | P | 35.2 | Very low | 29.9 | Very low | 111 Ų | 111 | 123.1 Ų | 123.1 | 72% | 0.721 | 69% | 0.693 | S | S | * | * | | | trans | -103.3 | 133.3 | 139.9 | 32.2 | -25.3 | 0 | 0 | 0 | 108.3 | | |
| 611 | V | 26.4 | Very low | 29.5 | Very low | 112 Ų | 112 | 120 Ų | 120 | 68% | 0.679 | 69% | 0.686 | S | S | * | * | | | cis | 61.4 | 83.7 | 28 | -165.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 612 | Q | 25.8 | Very low | 29 | Very low | 92 Ų | 92 | 120.4 Ų | 120.4 | 43% | 0.43 | 69% | 0.689 | S | S | . | * | | | trans | 59.1 | 149.4 | 162.2 | -51.8 | -165 | -72.9 | 0 | 0 | 118.8 | | |
| 613 | F | 26.8 | Very low | 28.8 | Very low | 133 Ų | 133 | 120.4 Ų | 120.4 | 58% | 0.583 | 69% | 0.69 | S | S | * | * | B | Isolated β-bridge | | -177.9 | 123.8 | 123.8 | -120.5 | -74.1 | 0 | 0 | 0 | 110.7 | L123 V124 Y615 | L123-F613 CarbonylContact C-O 3.27Å; L123-F613 VanDerWaalsContact C-O 3.27Å; L123-F613 WeakPolarHBondContact CB-O 3.43Å; V124-F613 VanDerWaalsContact N-C 3.3Å; V124-F613 PolarHBondContact N-O 3.05Å; V124-F613 CarbonylContact O-C 3.1Å; V124-F613 PolarHBondContact O-N 3.43Å; F613-Y615 HydrophobicContact CD1-CD2 4.15Å; F613-Y615 AromaticContact CD1-CE2 3.64Å; F613-Y615 HydrophobicContact CD1-CE2 3.64Å; F613-Y615 AromaticContact CE1-CE2 3.8Å; F613-Y615 HydrophobicContact CE1-CE2 3.8Å |
| 614 | T | 24.6 | Very low | 28.7 | Very low | 46 Ų | 46 | 120.9 Ų | 120.9 | 28% | 0.282 | 69% | 0.693 | S | S | . | * | | | trans | -79.7 | 129.5 | 166.1 | -13.5 | 0 | 0 | 0 | 0 | 109.1 | V124 Q125 | V124-T614 PolarHBondContact O-N 3.39Å; Q125-T614 WeakPolarHBondContact CA-OG1 3.48Å; Q125-T614 PolarHBondContact N-OG1 2.82Å; Q125-T614 PolarHBondContact O-OG1 2.92Å |
| 615 | Y | 28.4 | Very low | 28.5 | Very low | 155 Ų | 155 | 115.2 Ų | 115.2 | 61% | 0.608 | 69% | 0.687 | S | S | * | * | | | trans | -136.6 | 110.7 | 136.4 | -80.6 | -68.6 | 0 | 0 | 0 | 111.1 | F613 | F613-Y615 HydrophobicContact CD1-CD2 4.15Å; F613-Y615 AromaticContact CD1-CE2 3.64Å; F613-Y615 HydrophobicContact CD1-CE2 3.64Å; F613-Y615 AromaticContact CE1-CE2 3.8Å; F613-Y615 HydrophobicContact CE1-CE2 3.8Å |
| 616 | L | 33.7 | Very low | 28.6 | Very low | 153 Ų | 153 | 118.7 Ų | 118.7 | 80% | 0.801 | 69% | 0.688 | S | S | * | * | | | trans | -70.7 | 128.6 | 130.4 | -81.5 | 163.3 | 0 | 0 | 0 | 107 | | |
| 617 | P | 28.4 | Very low | 28.6 | Very low | 94 Ų | 94 | 121 Ų | 121 | 61% | 0.61 | 69% | 0.694 | S | S | * | * | | | trans | -109 | 122 | 138.2 | -7 | 27.5 | 0 | 0 | 0 | 107.9 | | |
| 618 | L | 26 | Very low | 28.9 | Very low | 164 Ų | 164 | 122.2 Ų | 122.2 | 86% | 0.859 | 70% | 0.699 | S | S | * | * | | | | 69.1 | 113.1 | 79.2 | -68.8 | 170.5 | 0 | 0 | 0 | 112.6 | | |
| 619 | S | 25.4 | Very low | 28.9 | Very low | 99 Ų | 99 | 119.1 Ų | 119.1 | 69% | 0.692 | 69% | 0.694 | S | S | * | * | | | trans | -63.7 | 151.6 | 170.7 | -39.9 | 0 | 0 | 0 | 0 | 111.7 | T621 | S619-T621 PolarHBondContact O-N 3.21Š|
| 620 | P | 36.3 | Very low | 29.2 | Very low | 130 Ų | 130 | 119.9 Ų | 119.9 | 84% | 0.844 | 69% | 0.694 | S | S | * | * | | | trans | -67.4 | 116.8 | 145.4 | 30.6 | -29.4 | 0 | 0 | 0 | 108.2 | | |
| 621 | T | 27.4 | Very low | 28.8 | Very low | 109 Ų | 109 | 124.5 Ų | 124.5 | 67% | 0.669 | 70% | 0.697 | S | S | * | * | | | trans | -82.3 | -178.7 | 160.7 | 54.9 | 0 | 0 | 0 | 0 | 109.9 | S619 | S619-T621 PolarHBondContact O-N 3.21Š|
| 622 | N | 28.2 | Very low | 29 | Very low | 135 Ų | 135 | 127.2 Ų | 127.2 | 72% | 0.722 | 70% | 0.7 | S | S | * | * | | | trans | 78.5 | 121.7 | -179.3 | -40 | 3.9 | 0 | 0 | 0 | 110.9 | | |
| 623 | D | 27.8 | Very low | 29.1 | Very low | 150 Ų | 150 | 126.3 Ų | 126.3 | 80% | 0.802 | 72% | 0.715 | S | S | * | * | | | cis | -153.4 | 156.8 | 1.2 | -83.2 | -43.2 | 0 | 0 | 0 | 107.5 | | |
| 624 | S | 27.8 | Very low | 29.2 | Very low | 99 Ų | 99 | 124.9 Ų | 124.9 | 69% | 0.692 | 73% | 0.728 | S | S | * | * | | | cis | -161.1 | 153.6 | 0.3 | 46.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 625 | S | 27.9 | Very low | 29.4 | Very low | 98 Ų | 98 | 129.3 Ų | 129.3 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | | | trans | 68.9 | 152 | 158.3 | 76.6 | 0 | 0 | 0 | 0 | 121.1 | | |
| 626 | F | 28.7 | Very low | 29.5 | Very low | 193 Ų | 193 | 129.3 Ų | 129.3 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | | | trans | 57.8 | 89.2 | 178.7 | -74.3 | -86.3 | 0 | 0 | 0 | 116.7 | | |
| 627 | V | 29 | Very low | 29.3 | Very low | 133 Ų | 133 | 125.8 Ų | 125.8 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | | | cis | 76.9 | 128.9 | 40.1 | -171.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 628 | P | 33.6 | Very low | 29.2 | Very low | 129 Ų | 129 | 129.3 Ų | 129.3 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | | | trans | -134.9 | 177.3 | -138.4 | 43.3 | -26.5 | 0 | 0 | 0 | 117.4 | | |
| 629 | G | 31.9 | Very low | 29.3 | Very low | 69 Ų | 69 | 127.2 Ų | 127.2 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | | | trans | 150.4 | 162.8 | 157.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 630 | V | 32.9 | Very low | 29.5 | Very low | 113 Ų | 113 | 133 Ų | 133 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | | | cis | -164.9 | 125.9 | -35.9 | 118.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 631 | W | 28.6 | Very low | 29.4 | Very low | 208 Ų | 208 | 131.8 Ų | 131.8 | 79% | 0.788 | 75% | 0.747 | S | S | * | * | | | trans | 67.9 | 125.1 | 156.3 | -71.8 | 41 | 0 | 0 | 0 | 122.7 | | |
| 632 | K | 29.9 | Very low | 29.6 | Very low | 170 Ų | 170 | 136 Ų | 136 | 74% | 0.739 | 76% | 0.756 | S | S | * | * | | | trans | 58 | 133.1 | 143.2 | -61.6 | -177 | 179.9 | -178.6 | 0 | 120.9 | | |
| 633 | G | 27 | Very low | 30 | Very low | 72 Ų | 72 | 136.5 Ų | 136.5 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | | | trans | 142.5 | 53.3 | 153.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 634 | A | 30 | Very low | 30.5 | Very low | 104 Ų | 104 | 134 Ų | 134 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | | | trans | 55.9 | 123.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 635 | T | 29 | Very low | 30.8 | Very low | 138 Ų | 138 | 136.5 Ų | 136.5 | 85% | 0.847 | 76% | 0.756 | S | S | * | * | | | trans | -155 | 153.2 | 178.2 | -32.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 636 | I | 29.9 | Very low | 31.2 | Very low | 155 Ų | 155 | 139 Ų | 139 | 80% | 0.795 | 76% | 0.757 | S | S | * | * | | | trans | -130.1 | 143.2 | -175.5 | -76.5 | 173.8 | 0 | 0 | 0 | 110.8 | | |
| 637 | A | 28.6 | Very low | 31.5 | Very low | 80 Ų | 80 | 137.3 Ų | 137.3 | 66% | 0.661 | 75% | 0.753 | S | S | * | * | | | trans | 68.8 | 174.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 638 | H | 28.1 | Very low | 31.9 | Very low | 168 Ų | 168 | 136 Ų | 136 | 78% | 0.778 | 75% | 0.746 | S | S | * | * | | | trans | 77.1 | 139.2 | -177.9 | -61.9 | -84.3 | 0 | 0 | 0 | 115.5 | | |
| 639 | L | 28 | Very low | 32 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 62% | 0.623 | 74% | 0.74 | S | S | * | * | | | cis | -158.7 | 151.3 | 3.1 | -118.2 | 160.4 | 0 | 0 | 0 | 111.3 | I641 | L639-I641 HydrophobicContact CD2-CD1 4.05Å; L639-I641 HydrophobicContact CD2-CG1 3.59Å |
| 640 | Y | 28.9 | Very low | 32.1 | Very low | 222 Ų | 222 | 138.5 Ų | 138.5 | 87% | 0.871 | 75% | 0.745 | S | S | * | * | | | trans | 171.7 | 81.6 | 142.6 | -102.7 | -73.5 | 0 | 0 | 0 | 109.4 | | |
| 641 | I | 33.3 | Very low | 32.6 | Very low | 104 Ų | 104 | 138.7 Ų | 138.7 | 53% | 0.533 | 75% | 0.748 | S | S | . | * | | | | 91.7 | 103.9 | 80 | -74 | 163.6 | 0 | 0 | 0 | 114.7 | L639 | L639-I641 HydrophobicContact CD2-CD1 4.05Å; L639-I641 HydrophobicContact CD2-CG1 3.59Å |
| 642 | K | 32 | Very low | 32.9 | Very low | 196 Ų | 196 | 135.7 Ų | 135.7 | 85% | 0.852 | 75% | 0.752 | S | S | * | * | | | | -179 | 96.2 | 126.1 | -100.8 | 168.2 | -177 | 175.2 | 0 | 114.2 | | |
| 643 | N | 36.3 | Very low | 33.1 | Very low | 147 Ų | 147 | 131.2 Ų | 131.2 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | | | | 33.9 | 155.6 | 123.1 | -71 | 8.3 | 0 | 0 | 0 | 123.1 | | |
| 644 | P | 39.8 | Very low | 33.4 | Very low | 98 Ų | 98 | 134.4 Ų | 134.4 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | | | cis | -151.9 | -171.1 | -34.1 | 44.8 | -26.7 | 0 | 0 | 0 | 115.8 | | |
| 645 | L | 32.6 | Very low | 33.8 | Very low | 151 Ų | 151 | 135.7 Ų | 135.7 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | | | trans | 71 | 146.8 | 151.9 | -73.8 | 177.2 | 0 | 0 | 0 | 118.6 | | |
| 646 | E | 37 | Very low | 34.2 | Very low | 150 Ų | 150 | 132.6 Ų | 132.6 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | | | cis | -141.5 | 152 | 6.6 | -65.7 | -165.5 | 134.7 | 0 | 0 | 113.9 | | |
| 647 | M | 35.1 | Very low | 34.4 | Very low | 157 Ų | 157 | 133 Ų | 133 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | | | trans | 51.5 | 147.2 | 133.7 | -63.9 | 174.6 | 66.2 | 0 | 0 | 122.7 | | |
| 648 | V | 38.2 | Very low | 34.8 | Very low | 107 Ų | 107 | 135.1 Ų | 135.1 | 65% | 0.648 | 77% | 0.768 | S | S | * | * | | | cis | -159.8 | 139.8 | -4.5 | 114.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 649 | N | 34.8 | Very low | 35.2 | Very low | 135 Ų | 135 | 134.7 Ų | 134.7 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | | | trans | 33.5 | 112 | 149.6 | -55.1 | -17.9 | 0 | 0 | 0 | 125.5 | | |
| 650 | S | 35 | Very low | 35.3 | Very low | 115 Ų | 115 | 134.3 Ų | 134.3 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | | 71.4 | 155.7 | 105.4 | -65.1 | 0 | 0 | 0 | 0 | 124.5 | | |
| 651 | P | 42.8 | Very low | 35.6 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | | | trans | -141.5 | -146 | -142.1 | 44.6 | -22.9 | 0 | 0 | 0 | 116 | | |
| 652 | V | 33.8 | Very low | 35.5 | Very low | 146 Ų | 146 | 129.4 Ų | 129.4 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | | | trans | 104.3 | 129.1 | 164.6 | -175.1 | 0 | 0 | 0 | 0 | 116.5 | | |
| 653 | G | 34.8 | Very low | 35.5 | Very low | 75 Ų | 75 | 128.8 Ų | 128.8 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | trans | 161.2 | 82.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 654 | T | 34.3 | Very low | 35.2 | Very low | 140 Ų | 140 | 131.7 Ų | 131.7 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | | | trans | -104.6 | 174.5 | 159.1 | 49.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 655 | P | 38.1 | Very low | 34.8 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | | | cis | -134.2 | -159.1 | 9.4 | 44.4 | -25.8 | 0 | 0 | 0 | 113.9 | | |
| 656 | G | 36.8 | Very low | 34.9 | Very low | 73 Ų | 73 | 127 Ų | 127 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | | | trans | 151.7 | 116.5 | 157.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 657 | D | 33.8 | Very low | 34.9 | Very low | 163 Ų | 163 | 125.1 Ų | 125.1 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | | | trans | -82.2 | 148.5 | 178.4 | -49.5 | -93.5 | 0 | 0 | 0 | 113.9 | | |
| 658 | S | 37.5 | Very low | 34.9 | Very low | 125 Ų | 125 | 125 Ų | 125 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | | | trans | -175.9 | 160 | 140.7 | 30.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 659 | N | 35.3 | Very low | 34.8 | Very low | 159 Ų | 159 | 128.3 Ų | 128.3 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | | | trans | -83.6 | 155.9 | -169.9 | -72.8 | -71.5 | 0 | 0 | 0 | 114.7 | | |
| 660 | S | 30.9 | Very low | 34.7 | Very low | 110 Ų | 110 | 128.4 Ų | 128.4 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | | | trans | -3.8 | 141 | 148.2 | -64.4 | 0 | 0 | 0 | 0 | 118 | | |
| 661 | P | 36 | Very low | 34.8 | Very low | 119 Ų | 119 | 128.5 Ų | 128.5 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | | | | -151.2 | 155.5 | 53.3 | 40.1 | -20.3 | 0 | 0 | 0 | 119.9 | | |
| 662 | S | 30.6 | Very low | 34.1 | Very low | 105 Ų | 105 | 128.8 Ų | 128.8 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | | | trans | 37.5 | 133.2 | 137.6 | -141.4 | 0 | 0 | 0 | 0 | 123.4 | | |
| 663 | K | 32 | Very low | 34 | Very low | 183 Ų | 183 | 132.5 Ų | 132.5 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | | | trans | 85.3 | 114.6 | 154.5 | -70.8 | 169 | -177.9 | 169.1 | 0 | 121.3 | | |
| 664 | K | 31 | Very low | 33.9 | Very low | 208 Ų | 208 | 136.2 Ų | 136.2 | 90% | 0.904 | 80% | 0.801 | S | S | * | * | | | trans | 70.4 | 129.8 | 138.4 | -65.4 | -176.1 | 174.6 | -172.2 | 0 | 121 | | |
| 665 | G | 31.3 | Very low | 33.7 | Very low | 79 Ų | 79 | 135.6 Ų | 135.6 | 81% | 0.814 | 79% | 0.788 | S | S | * | * | | | trans | 162.3 | 135.2 | 146.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 666 | G | 34.1 | Very low | 33.4 | Very low | 72 Ų | 72 | 137 Ų | 137 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | | | trans | 84.6 | 90.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 667 | S | 37.1 | Very low | 33 | Very low | 110 Ų | 110 | 140.2 Ų | 140.2 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | | | cis | 87.8 | 116.6 | 31.7 | -52.7 | 0 | 0 | 0 | 0 | 115.5 | | |
| 668 | N | 34.3 | Very low | 32.7 | Very low | 153 Ų | 153 | 142.7 Ų | 142.7 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | 163.1 | 123.8 | 153.9 | -91.1 | -40.3 | 0 | 0 | 0 | 108.1 | | |
| 669 | K | 35.8 | Very low | 32.5 | Very low | 178 Ų | 178 | 143.6 Ų | 143.6 | 77% | 0.774 | 78% | 0.775 | S | S | * | * | | | cis | -145.1 | 132.4 | 0.7 | -76.8 | 169.9 | -176.3 | 173.9 | 0 | 106.7 | | |
| 670 | V | 34.3 | Very low | 32.3 | Very low | 137 Ų | 137 | 144.3 Ų | 144.3 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | | | | 67 | 134.5 | 81 | 174.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 671 | P | 36 | Very low | 32.5 | Very low | 117 Ų | 117 | 144 Ų | 144 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | | | cis | -123.8 | -175.3 | 8.9 | 41.5 | -26.9 | 0 | 0 | 0 | 116.2 | | |
| 672 | V | 28.3 | Very low | 32.2 | Very low | 121 Ų | 121 | 144.9 Ų | 144.9 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | | | trans | -130 | 132.9 | 174.1 | 169.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 673 | Y | 31.7 | Very low | 32 | Very low | 224 Ų | 224 | 145.9 Ų | 145.9 | 88% | 0.878 | 77% | 0.773 | S | S | * | * | | | trans | -145.3 | 113.2 | 146.8 | -86 | -83.1 | 0 | 0 | 0 | 108.3 | | |
| 674 | K | 32.3 | Very low | 32.1 | Very low | 154 Ų | 154 | 140.6 Ų | 140.6 | 67% | 0.67 | 77% | 0.77 | S | S | * | * | | | | 78.7 | 109.4 | 65.9 | -113.7 | -165.6 | 174.3 | -142.7 | 0 | 115.5 | | |
| 675 | Q | 30 | Very low | 32 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 59% | 0.589 | 77% | 0.768 | S | S | * | * | | | trans | 66.3 | 136.9 | 142.2 | -74 | 176.4 | -81.3 | 0 | 0 | 120.9 | | |
| 676 | Q | 32.2 | Very low | 32.1 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 76% | 0.757 | 76% | 0.764 | S | S | * | * | | | trans | 70.1 | 150.4 | 144.7 | -73.5 | 168 | -30.7 | 0 | 0 | 117.7 | | |
| 677 | N | 28.8 | Very low | 31.9 | Very low | 140 Ų | 140 | 144.2 Ų | 144.2 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | | | cis | -172.6 | 147.6 | -28.5 | -148 | -0.1 | 0 | 0 | 0 | 107.1 | | |
| 678 | R | 27.5 | Very low | 31.8 | Very low | 215 Ų | 215 | 142.9 Ų | 142.9 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | | | trans | 71 | 160.6 | 149.4 | -151.3 | -174.2 | -168.7 | 172.4 | 3.8 | 118.5 | | |
| 679 | L | 34 | Very low | 31.7 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | | | trans | 75.2 | 89.8 | 171.5 | -50.8 | 179.5 | 0 | 0 | 0 | 113.9 | | |
| 680 | E | 29.3 | Very low | 31.5 | Very low | 174 Ų | 174 | 139 Ų | 139 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | | | | 94.1 | 144.1 | 55.4 | -73.9 | -67.4 | 118.2 | 0 | 0 | 113.4 | | |
| 681 | P | 35.2 | Very low | 31.5 | Very low | 102 Ų | 102 | 135.9 Ų | 135.9 | 66% | 0.662 | 77% | 0.771 | S | S | * | * | | | trans | -108.1 | 140.3 | -163.6 | 39 | -31.1 | 0 | 0 | 0 | 115.7 | | |
| 682 | V | 31.3 | Very low | 31.4 | Very low | 139 Ų | 139 | 134.4 Ų | 134.4 | 84% | 0.842 | 76% | 0.764 | S | S | * | * | | | trans | -149 | 109.5 | 170.1 | 179.6 | 0 | 0 | 0 | 0 | 106.7 | | |
| 683 | V | 26.5 | Very low | 31.6 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | | | | 63.9 | 95.6 | 68.4 | -175.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 684 | G | 33.9 | Very low | 31.8 | Very low | 71 Ų | 71 | 131 Ų | 131 | 73% | 0.732 | 75% | 0.746 | S | S | * | * | | | trans | -178.4 | 99.5 | 171 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 685 | Q | 28.7 | Very low | 32 | Very low | 184 Ų | 184 | 135.7 Ų | 135.7 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | | | | 69.4 | 90.8 | 70.9 | -65.2 | -169.3 | 17.2 | 0 | 0 | 115.4 | | |
| 686 | S | 32.8 | Very low | 32.2 | Very low | 105 Ų | 105 | 133.5 Ų | 133.5 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | | | trans | 175.4 | 108.6 | 134.4 | 51 | 0 | 0 | 0 | 0 | 109 | | |
| 687 | T | 30 | Very low | 32.3 | Very low | 146 Ų | 146 | 129.2 Ų | 129.2 | 90% | 0.896 | 77% | 0.77 | S | S | * | * | | | | 64.7 | 114 | 72.8 | 64.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 688 | G | 35.1 | Very low | 32.6 | Very low | 83 Ų | 83 | 128.4 Ų | 128.4 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | | | trans | 140.3 | 104.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 689 | S | 32.4 | Very low | 33 | Very low | 104 Ų | 104 | 123.1 Ų | 123.1 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | cis | 159.2 | 119.8 | -21.5 | 176.5 | 0 | 0 | 0 | 0 | 106.7 | | |
| 690 | V | 31.4 | Very low | 33.1 | Very low | 146 Ų | 146 | 121.6 Ų | 121.6 | 89% | 0.885 | 77% | 0.77 | S | S | * | * | | | trans | 58.5 | 126.6 | 155.4 | -179.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 691 | G | 33.3 | Very low | 33.2 | Very low | 70 Ų | 70 | 123.8 Ų | 123.8 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | | | trans | 176.7 | 50.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 692 | S | 33.8 | Very low | 32.8 | Very low | 87 Ų | 87 | 125.1 Ų | 125.1 | 61% | 0.608 | 77% | 0.774 | S | S | * | * | | | trans | -67.8 | 146.9 | -178.2 | -44.2 | 0 | 0 | 0 | 0 | 114.9 | G1498 | S692-G1498 CarbonylContact O-C 3.46Å; S692-G1498 VanDerWaalsContact O-C 3.3Å; S692-G1498 WeakPolarHBondContact O-CA 3.21Å |
| 693 | R | 33.9 | Very low | 32.7 | Very low | 146 Ų | 146 | 126.6 Ų | 126.6 | 55% | 0.551 | 77% | 0.77 | S | S | * | * | | | trans | -162.1 | 139.2 | 134 | -134.6 | -168 | -159.7 | 120.3 | -13.3 | 114.8 | G1498 N1499 | R693-G1498 VanDerWaalsContact CZ-N 3.31Å; R693-G1498 VanDerWaalsContact NH1-N 3.1Å; R693-N1499 VanDerWaalsContact CD-N 3.32Å |
| 694 | D | 34.8 | Very low | 32.9 | Very low | 127 Ų | 127 | 126.9 Ų | 126.9 | 68% | 0.679 | 77% | 0.767 | S | S | * | * | | | trans | -80.9 | 146.6 | -178.8 | -35.9 | -98.7 | 0 | 0 | 0 | 113.1 | | |
| 695 | R | 37.8 | Very low | 32.6 | Very low | 252 Ų | 252 | 130.9 Ų | 130.9 | 95% | 0.951 | 77% | 0.766 | S | S | * | * | | | | -150 | 140.1 | 124.4 | -59.8 | -167.3 | -171.9 | -171.5 | 2.2 | 108.1 | | |
| 696 | G | 33 | Very low | 32.8 | Very low | 80 Ų | 80 | 131.9 Ų | 131.9 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | | | cis | 137 | 95.2 | -6.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 697 | G | 34.5 | Very low | 32.7 | Very low | 73 Ų | 73 | 133.6 Ų | 133.6 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | | | trans | 124.2 | 137.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 698 | S | 34.6 | Very low | 32.7 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | | | cis | -166.8 | 134 | -17.3 | 29.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 699 | S | 37.4 | Very low | 32.5 | Very low | 103 Ų | 103 | 138.7 Ų | 138.7 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | | | trans | -83.8 | 169.6 | 172.4 | 175.5 | 0 | 0 | 0 | 0 | 111.3 | Y701 | S699-Y701 PolarHBondContact OG-N 2.78Š|
| 700 | P | 34.9 | Very low | 32.6 | Very low | 113 Ų | 113 | 139.7 Ų | 139.7 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | | | trans | -124.5 | 115.3 | 132.3 | 5.1 | 16.2 | 0 | 0 | 0 | 113.8 | | |
| 701 | Y | 30.9 | Very low | 32.7 | Very low | 219 Ų | 219 | 139.3 Ų | 139.3 | 86% | 0.859 | 75% | 0.753 | S | S | * | * | | | trans | 61.4 | 114.1 | 146.9 | -59.7 | -74.9 | 0 | 0 | 0 | 122 | S699 | S699-Y701 PolarHBondContact OG-N 2.78Š|
| 702 | N | 28.4 | Very low | 32.9 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | | | trans | -117 | -168.1 | 149.7 | -172.3 | 6.6 | 0 | 0 | 0 | 106.8 | | |
| 703 | F | 28.4 | Very low | 33 | Very low | 171 Ų | 171 | 146.5 Ų | 146.5 | 75% | 0.75 | 77% | 0.766 | S | S | * | * | | | trans | 77 | 141.1 | 175.2 | -65.2 | -97.1 | 0 | 0 | 0 | 116 | | |
| 704 | N | 31.1 | Very low | 32.8 | Very low | 132 Ų | 132 | 146.4 Ų | 146.4 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | | | cis | -158.5 | 170.3 | -20.8 | -132.6 | 41.1 | 0 | 0 | 0 | 111.5 | | |
| 705 | E | 28.2 | Very low | 32.7 | Very low | 155 Ų | 155 | 145 Ų | 145 | 72% | 0.724 | 78% | 0.776 | S | S | * | * | | | trans | -75.1 | 134.7 | 159.8 | -178.5 | 172.1 | -157.5 | 0 | 0 | 110.8 | | |
| 706 | Y | 32.2 | Very low | 32.5 | Very low | 204 Ų | 204 | 138.2 Ų | 138.2 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | | | trans | 153.8 | 146.5 | 143.7 | -95.5 | -72.7 | 0 | 0 | 0 | 113.4 | | |
| 707 | D | 29.7 | Very low | 32.4 | Very low | 141 Ų | 141 | 138.1 Ų | 138.1 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | | | trans | -77.1 | 148.5 | -176.8 | -49.8 | -91.8 | 0 | 0 | 0 | 114.5 | | |
| 708 | F | 31.4 | Very low | 32.3 | Very low | 188 Ų | 188 | 143 Ų | 143 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | | | | -164.2 | 173.8 | 103.3 | -129 | -100 | 0 | 0 | 0 | 113.8 | | |
| 709 | E | 30.1 | Very low | 32.2 | Very low | 149 Ų | 149 | 144.5 Ų | 144.5 | 70% | 0.696 | 75% | 0.753 | S | S | * | * | | | trans | -75.1 | 152.3 | -169.5 | -51.3 | 174.2 | 117.7 | 0 | 0 | 115 | | |
| 710 | T | 35.5 | Very low | 32 | Very low | 125 Ų | 125 | 144.6 Ų | 144.6 | 77% | 0.767 | 75% | 0.749 | S | S | * | * | | | | 179.3 | 123.7 | 109.1 | 28.2 | 0 | 0 | 0 | 0 | 115.9 | | |
| 711 | T | 33.8 | Very low | 31.9 | Very low | 137 Ų | 137 | 146 Ų | 146 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | | | trans | 53.3 | 138.9 | 143.6 | 56.5 | 0 | 0 | 0 | 0 | 124.5 | | |
| 712 | K | 36.4 | Very low | 32 | Very low | 187 Ų | 187 | 142.8 Ų | 142.8 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | | | trans | -99.7 | 163.7 | 168 | -57 | 175.7 | -179.1 | 176.6 | 0 | 112.2 | | |
| 713 | P | 36.2 | Very low | 32.3 | Very low | 121 Ų | 121 | 141.2 Ų | 141.2 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | | | | -120.9 | 155.3 | 112.9 | -3 | 24.5 | 0 | 0 | 0 | 111.5 | | |
| 714 | N | 30.3 | Very low | 32.7 | Very low | 144 Ų | 144 | 140 Ų | 140 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | | | cis | 69.5 | 135.8 | 47.1 | -68.6 | -5.4 | 0 | 0 | 0 | 113.6 | | |
| 715 | S | 32.8 | Very low | 33 | Very low | 97 Ų | 97 | 141.1 Ų | 141.1 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | | | cis | -176.2 | 169 | -2 | 43.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 716 | S | 32.6 | Very low | 33.2 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | | | trans | 75.4 | 155.5 | 152.7 | 82.9 | 0 | 0 | 0 | 0 | 118.3 | | |
| 717 | S | 31.8 | Very low | 33.1 | Very low | 79 Ų | 79 | 132.2 Ų | 132.2 | 55% | 0.552 | 76% | 0.757 | S | S | * | * | | | cis | -171.3 | 178.1 | -10.3 | 35.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 718 | F | 31.1 | Very low | 33.1 | Very low | 175 Ų | 175 | 131.4 Ų | 131.4 | 77% | 0.768 | 76% | 0.757 | S | S | * | * | | | trans | 87.7 | 105.9 | 166.9 | -53.8 | -75.3 | 0 | 0 | 0 | 117.7 | | |
| 719 | L | 32.8 | Very low | 33.1 | Very low | 154 Ų | 154 | 128.5 Ų | 128.5 | 81% | 0.806 | 76% | 0.755 | S | S | * | * | | | | 85.5 | 144.3 | 84.9 | -71.8 | -164.3 | 0 | 0 | 0 | 113.2 | | |
| 720 | V | 32.6 | Very low | 33.2 | Very low | 106 Ų | 106 | 129.4 Ų | 129.4 | 64% | 0.642 | 76% | 0.763 | S | S | * | * | | | cis | -151.6 | 149.7 | 10.6 | 94.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 721 | N | 33.2 | Very low | 33.2 | Very low | 141 Ų | 141 | 128.2 Ų | 128.2 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | | | trans | 43.3 | 155 | 157.1 | -58.8 | -4.9 | 0 | 0 | 0 | 122 | | |
| 722 | N | 34 | Very low | 33.4 | Very low | 152 Ų | 152 | 127.6 Ų | 127.6 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | | | cis | -141.2 | 162.4 | 8.9 | -152.9 | 2.8 | 0 | 0 | 0 | 112.5 | | |
| 723 | S | 34.3 | Very low | 33.2 | Very low | 98 Ų | 98 | 124.1 Ų | 124.1 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | | | trans | -117.3 | 163.4 | -163.6 | -58.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 724 | N | 36.3 | Very low | 33 | Very low | 145 Ų | 145 | 122.6 Ų | 122.6 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | | | trans | -161.3 | 109.5 | 137.4 | -108.8 | -28.6 | 0 | 0 | 0 | 114.3 | | |
| 725 | N | 37.7 | Very low | 33.2 | Very low | 156 Ų | 156 | 125 Ų | 125 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | | | trans | 52.9 | 144.2 | 143.9 | -55.9 | -19.9 | 0 | 0 | 0 | 122.7 | | |
| 726 | G | 32.4 | Very low | 33.4 | Very low | 71 Ų | 71 | 127.8 Ų | 127.8 | 73% | 0.732 | 76% | 0.76 | S | S | * | * | | | trans | -171.4 | -177.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 727 | A | 30.5 | Very low | 33.8 | Very low | 100 Ų | 100 | 125.1 Ų | 125.1 | 83% | 0.826 | 74% | 0.741 | S | S | * | * | | | trans | 66.8 | 152.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 728 | T | 29.1 | Very low | 34.3 | Very low | 124 Ų | 124 | 123.3 Ų | 123.3 | 76% | 0.761 | 74% | 0.735 | S | S | * | * | | | cis | -142.1 | 138.9 | 6.5 | -46.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 729 | V | 31.7 | Very low | 34.9 | Very low | 128 Ų | 128 | 120 Ų | 120 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | | | trans | -130.3 | 122 | 163.6 | 178 | 0 | 0 | 0 | 0 | 109.3 | | |
| 730 | L | 31.3 | Very low | 35.8 | Very low | 168 Ų | 168 | 121.3 Ų | 121.3 | 88% | 0.88 | 72% | 0.72 | S | S | * | * | | | trans | -78.9 | 115.4 | 172.3 | -71.8 | 164.5 | 0 | 0 | 0 | 109.3 | | |
| 731 | S | 35.1 | Very low | 36.5 | Very low | 100 Ų | 100 | 121.8 Ų | 121.8 | 70% | 0.699 | 72% | 0.715 | S | S | * | * | | | trans | -113.1 | 129.3 | 175.1 | -65 | 0 | 0 | 0 | 0 | 110.6 | S733 | S731-S733 PolarHBondContact O-N 3.43Š|
| 732 | P | 38.1 | Very low | 37.5 | Very low | 123 Ų | 123 | 121.5 Ų | 121.5 | 80% | 0.799 | 71% | 0.709 | S | S | * | * | | | trans | -73.1 | 124.5 | -179.9 | 29.1 | -33.5 | 0 | 0 | 0 | 111.2 | S734 | P732-S734 PolarHBondContact O-N 3.34Å; P732-S734 VanDerWaalsContact O-N 3.12Å |
| 733 | S | 32.6 | Very low | 38.6 | Very low | 115 Ų | 115 | 121.8 Ų | 121.8 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | | | trans | -76.1 | 98.9 | -178.5 | -173.1 | 0 | 0 | 0 | 0 | 112 | S731 K735 | S731-S733 PolarHBondContact O-N 3.43Å; S733-K735 PolarHBondContact O-N 3.01Å |
| 734 | S | 32.2 | Very low | 40.2 | Very low | 88 Ų | 88 | 122.1 Ų | 122.1 | 62% | 0.615 | 69% | 0.692 | S | S | * | * | | | trans | -81.9 | 101.4 | 179 | 42 | 0 | 0 | 0 | 0 | 112.4 | P732 | P732-S734 PolarHBondContact O-N 3.34Å; P732-S734 VanDerWaalsContact O-N 3.12Å |
| 735 | K | 35.6 | Very low | 41.7 | Very low | 194 Ų | 194 | 119.2 Ų | 119.2 | 84% | 0.843 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -127.2 | 19 | 165.6 | -72.9 | -167.2 | 174.3 | -176.3 | 0 | 114.3 | S733 | S733-K735 PolarHBondContact O-N 3.01Š|
| 736 | L | 37 | Very low | 43.1 | Very low | 157 Ų | 157 | 115.8 Ų | 115.8 | 82% | 0.822 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -130.1 | 16 | 173.1 | -86.1 | 165 | 0 | 0 | 0 | 112.1 | | |
| 737 | S | 40.7 | Very low | 45.1 | Very low | 53 Ų | 53 | 116.1 Ų | 116.1 | 37% | 0.371 | 64% | 0.642 | S | S | . | * | S | Bend | trans | -96.3 | -17.3 | -178.9 | 58 | 0 | 0 | 0 | 0 | 114.1 | R740 Q741 | S737-R740 PolarHBondContact O-N 3.22Å; S737-Q741 WeakPolarHBondContact O-CA 3.4Å; S737-Q741 WeakPolarHBondContact O-CB 3.32Å; S737-Q741 PolarHBondContact O-N 2.92Å |
| 738 | G | 41.6 | Very low | 47 | Very low | 42 Ų | 42 | 115.9 Ų | 115.9 | 43% | 0.433 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -58.6 | -70 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R740 Q741 E742 | G738-R740 PolarHBondContact O-N 3.02Å; G738-Q741 PolarHBondContact O-N 2.67Å; G738-E742 PolarHBondContact O-N 3.44Å |
| 739 | D | 44.5 | Very low | 49.1 | Very low | 104 Ų | 104 | 113.4 Ų | 113.4 | 56% | 0.556 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -59.9 | -15.2 | -179.5 | -37.6 | 12.6 | 0 | 0 | 0 | 113.9 | R743 | D739-R743 WeakPolarHBondContact O-CB 3.49Å; D739-R743 WeakPolarHBondContact O-CG 3.34Å; D739-R743 PolarHBondContact O-NE 3.18Å |
| 740 | R | 50.4 | Low | 51.2 | Low | 183 Ų | 183 | 112.4 Ų | 112.4 | 69% | 0.691 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -96.8 | -34.2 | 177.9 | -161.6 | 175.5 | -172.4 | -174.3 | 1.5 | 112 | S737 G738 L744 | S737-R740 PolarHBondContact O-N 3.22Å; G738-R740 PolarHBondContact O-N 3.02Å; R740-L744 HydrophobicContact CG-CD1 4.43Å; R740-L744 VanDerWaalsContact O-CB 3.29Å; R740-L744 WeakPolarHBondContact O-CB 3.35Å; R740-L744 WeakPolarHBondContact O-CD1 3.48Å; R740-L744 WeakPolarHBondContact O-CG 3.36Å; R740-L744 PolarHBondContact O-N 3.34Å |
| 741 | Q | 47.8 | Very low | 53.1 | Low | 116 Ų | 116 | 110.4 Ų | 110.4 | 54% | 0.542 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -71.1 | -42.7 | 171.5 | -164.6 | 89.4 | 17.5 | 0 | 0 | 109.9 | S737 G738 L744 I745 | S737-Q741 WeakPolarHBondContact O-CA 3.4Å; S737-Q741 WeakPolarHBondContact O-CB 3.32Å; S737-Q741 PolarHBondContact O-N 2.92Å; G738-Q741 PolarHBondContact O-N 2.67Å; Q741-L744 PolarHBondContact O-N 3.39Å; Q741-I745 HydrophobicContact CG-CD1 3.93Å; Q741-I745 WeakPolarHBondContact O-CB 3.34Å; Q741-I745 WeakPolarHBondContact O-CD1 3.24Å; Q741-I745 WeakPolarHBondContact O-CG1 3.42Å; Q741-I745 PolarHBondContact O-N 3.5Å |
| 742 | E | 53.6 | Low | 54.9 | Low | 135 Ų | 135 | 110.8 Ų | 110.8 | 63% | 0.631 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -60.3 | -47.4 | 172.7 | -78.9 | -173.2 | 132.6 | 0 | 0 | 111.3 | G738 L744 I745 D746 | G738-E742 PolarHBondContact O-N 3.44Å; E742-L744 PolarHBondContact O-N 2.88Å; E742-I745 PolarHBondContact O-N 3.44Å; E742-D746 WeakPolarHBondContact O-CB 3.3Å; E742-D746 PolarHBondContact O-N 3.49Å |
| 743 | R | 58.5 | Low | 56.2 | Low | 157 Ų | 157 | 109.3 Ų | 109.3 | 59% | 0.592 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.2 | -38.7 | 174.9 | -85.5 | -179.2 | -92.3 | -151 | -11.5 | 113.5 | D739 D746 D747 | D739-R743 WeakPolarHBondContact O-CB 3.49Å; D739-R743 WeakPolarHBondContact O-CG 3.34Å; D739-R743 PolarHBondContact O-NE 3.18Å; R743-D746 PolarHBondContact O-N 3.08Å; R743-D747 VanDerWaalsContact O-CB 3.3Å; R743-D747 WeakPolarHBondContact O-CB 3.5Å; R743-D747 VanDerWaalsContact O-CG 3.28Å; R743-D747 PolarHBondContact O-N 2.87Å |
| 744 | L | 66.7 | Low | 57.8 | Low | 105 Ų | 105 | 108.8 Ų | 108.8 | 55% | 0.55 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.2 | -36.2 | 174.1 | -76.7 | 167.1 | 0 | 0 | 0 | 112.3 | R740 Q741 E742 E748 | R740-L744 HydrophobicContact CG-CD1 4.43Å; R740-L744 VanDerWaalsContact O-CB 3.29Å; R740-L744 WeakPolarHBondContact O-CB 3.35Å; R740-L744 WeakPolarHBondContact O-CD1 3.48Å; R740-L744 WeakPolarHBondContact O-CG 3.36Å; R740-L744 PolarHBondContact O-N 3.34Å; Q741-L744 PolarHBondContact O-N 3.39Å; E742-L744 PolarHBondContact O-N 2.88Å; L744-E748 WeakPolarHBondContact O-CB 3.4Å; L744-E748 PolarHBondContact O-N 2.9Å |
| 745 | I | 68.4 | Low | 59.4 | Low | 84 Ų | 84 | 108.7 Ų | 108.7 | 43% | 0.431 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.5 | -44 | 174.8 | -71 | 163.7 | 0 | 0 | 0 | 110.3 | Q741 E742 D747 E748 V749 | Q741-I745 HydrophobicContact CG-CD1 3.93Å; Q741-I745 WeakPolarHBondContact O-CB 3.34Å; Q741-I745 WeakPolarHBondContact O-CD1 3.24Å; Q741-I745 WeakPolarHBondContact O-CG1 3.42Å; Q741-I745 PolarHBondContact O-N 3.5Å; E742-I745 PolarHBondContact O-N 3.44Å; I745-D747 PolarHBondContact O-N 2.86Å; I745-E748 PolarHBondContact O-N 3.46Å; I745-V749 HydrophobicContact CG2-CG2 4.4Å; I745-V749 VanDerWaalsContact O-CB 3.29Å; I745-V749 WeakPolarHBondContact O-CB 3.39Å; I745-V749 WeakPolarHBondContact O-CG2 3.41Å; I745-V749 PolarHBondContact O-N 2.84Å |
| 746 | D | 67.7 | Low | 60.5 | Low | 85 Ų | 85 | 104.4 Ų | 104.4 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 174.1 | -87.7 | -22.3 | 0 | 0 | 0 | 111.7 | E742 R743 V749 K750 | E742-D746 WeakPolarHBondContact O-CB 3.3Å; E742-D746 PolarHBondContact O-N 3.49Å; R743-D746 PolarHBondContact O-N 3.08Å; D746-V749 PolarHBondContact O-N 3.41Å; D746-K750 WeakPolarHBondContact O-CB 3.46Å; D746-K750 WeakPolarHBondContact O-CE 3.44Å; D746-K750 WeakPolarHBondContact O-CG 3.48Å; D746-K750 PolarHBondContact O-N 2.88Å |
| 747 | D | 72.9 | Confident | 61.1 | Low | 77 Ų | 77 | 99.5 Ų | 99.5 | 41% | 0.412 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -74.4 | -32.1 | 178.9 | -70.3 | -20.8 | 0 | 0 | 0 | 112.2 | R743 I745 K750 Q751 | R743-D747 VanDerWaalsContact O-CB 3.3Å; R743-D747 WeakPolarHBondContact O-CB 3.5Å; R743-D747 VanDerWaalsContact O-CG 3.28Å; R743-D747 PolarHBondContact O-N 2.87Å; I745-D747 PolarHBondContact O-N 2.86Å; D747-K750 IonicContact OD1-NZ 3.32Å; D747-K750 PolarHBondContact OD1-NZ 3Å; D747-Q751 WeakPolarHBondContact O-CB 3.47Å; D747-Q751 WeakPolarHBondContact O-CG 3.21Å; D747-Q751 PolarHBondContact O-N 3.08Å |
| 748 | E | 71 | Confident | 61.7 | Low | 95 Ų | 95 | 99.8 Ų | 99.8 | 44% | 0.444 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.3 | -36 | 170.5 | -167.7 | -172.9 | 174.6 | 0 | 0 | 111.5 | L744 I745 Q751 K752 | L744-E748 WeakPolarHBondContact O-CB 3.4Å; L744-E748 PolarHBondContact O-N 2.9Å; I745-E748 PolarHBondContact O-N 3.46Å; E748-Q751 PolarHBondContact O-N 3.35Å; E748-K752 VanDerWaalsContact CD-NZ 3.25Å; E748-K752 HydrophobicContact CG-CD 4.28Å; E748-K752 WeakPolarHBondContact O-CB 3.47Å; E748-K752 VanDerWaalsContact O-CG 3.27Å; E748-K752 WeakPolarHBondContact O-CG 3.38Å; E748-K752 PolarHBondContact O-N 2.71Å; E748-K752 WeakPolarHBondContact OE1-CE 3.46Å; E748-K752 IonicContact OE1-NZ 3.96Å; E748-K752 PolarHBondContact OE1-NZ 2.5Å; E748-K752 IonicContact OE2-NZ 3Å |
| 749 | V | 73.9 | Confident | 61.7 | Low | 73 Ų | 73 | 104.4 Ų | 104.4 | 44% | 0.442 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.8 | -42.8 | 172.4 | 166.4 | 0 | 0 | 0 | 0 | 110.5 | I745 D746 K752 L753 | I745-V749 HydrophobicContact CG2-CG2 4.4Å; I745-V749 VanDerWaalsContact O-CB 3.29Å; I745-V749 WeakPolarHBondContact O-CB 3.39Å; I745-V749 WeakPolarHBondContact O-CG2 3.41Å; I745-V749 PolarHBondContact O-N 2.84Å; D746-V749 PolarHBondContact O-N 3.41Å; V749-K752 PolarHBondContact O-N 2.98Å; V749-L753 HydrophobicContact CG1-CD1 4Å; V749-L753 WeakPolarHBondContact O-CB 3.49Å; V749-L753 VanDerWaalsContact O-CG 3.31Å; V749-L753 WeakPolarHBondContact O-CG 3.32Å; V749-L753 PolarHBondContact O-N 3.43Å |
| 750 | K | 75.8 | Confident | 61.4 | Low | 106 Ų | 106 | 103.6 Ų | 103.6 | 46% | 0.461 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.3 | -45 | 170.6 | -72 | 165.5 | -145.9 | 158.1 | 0 | 111.4 | D746 D747 L753 L754 | D746-K750 WeakPolarHBondContact O-CB 3.46Å; D746-K750 WeakPolarHBondContact O-CE 3.44Å; D746-K750 WeakPolarHBondContact O-CG 3.48Å; D746-K750 PolarHBondContact O-N 2.88Å; D747-K750 IonicContact OD1-NZ 3.32Å; D747-K750 PolarHBondContact OD1-NZ 3Å; K750-L753 PolarHBondContact O-N 2.09Å; K750-L754 WeakPolarHBondContact O-CB 3.21Å; K750-L754 VanDerWaalsContact O-CG 3.3Å; K750-L754 WeakPolarHBondContact O-CG 3.41Å; K750-L754 PolarHBondContact O-N 3.23Å |
| 751 | Q | 72 | Confident | 60.9 | Low | 126 Ų | 126 | 99.7 Ų | 99.7 | 59% | 0.589 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.3 | -38.9 | 175.9 | -82 | -167.9 | -11.9 | 0 | 0 | 112.2 | D747 E748 L754 N755 | D747-Q751 WeakPolarHBondContact O-CB 3.47Å; D747-Q751 WeakPolarHBondContact O-CG 3.21Å; D747-Q751 PolarHBondContact O-N 3.08Å; E748-Q751 PolarHBondContact O-N 3.35Å; Q751-L754 PolarHBondContact O-N 2.08Å; Q751-N755 VanDerWaalsContact O-CB 3.24Å; Q751-N755 WeakPolarHBondContact O-CB 3.36Å; Q751-N755 PolarHBondContact O-N 3.49Å; Q751-N755 PolarHBondContact O-ND2 2.06Å |
| 752 | K | 72.1 | Confident | 60.6 | Low | 108 Ų | 108 | 100.5 Ų | 100.5 | 47% | 0.47 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.6 | -40.9 | 174.9 | -76.5 | 168.7 | -176 | 167.8 | 0 | 111.6 | E748 V749 N755 I756 | E748-K752 VanDerWaalsContact CD-NZ 3.25Å; E748-K752 HydrophobicContact CG-CD 4.28Å; E748-K752 WeakPolarHBondContact O-CB 3.47Å; E748-K752 VanDerWaalsContact O-CG 3.27Å; E748-K752 WeakPolarHBondContact O-CG 3.38Å; E748-K752 PolarHBondContact O-N 2.71Å; E748-K752 WeakPolarHBondContact OE1-CE 3.46Å; E748-K752 IonicContact OE1-NZ 3.96Å; E748-K752 PolarHBondContact OE1-NZ 2.5Å; E748-K752 IonicContact OE2-NZ 3Å; V749-K752 PolarHBondContact O-N 2.98Å; K752-N755 PolarHBondContact O-N 2.71Å; K752-I756 WeakPolarHBondContact O-CB 3.45Å; K752-I756 WeakPolarHBondContact O-CD1 3.43Å; K752-I756 WeakPolarHBondContact O-CG1 3.46Å; K752-I756 PolarHBondContact O-N 2.85Å |
| 753 | L | 65.9 | Low | 59.8 | Low | 93 Ų | 93 | 97.7 Ų | 97.7 | 49% | 0.487 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.9 | -43 | 172.9 | -72.7 | 166.9 | 0 | 0 | 0 | 112 | V749 K750 I756 S757 | V749-L753 HydrophobicContact CG1-CD1 4Å; V749-L753 WeakPolarHBondContact O-CB 3.49Å; V749-L753 VanDerWaalsContact O-CG 3.31Å; V749-L753 WeakPolarHBondContact O-CG 3.32Å; V749-L753 PolarHBondContact O-N 3.43Å; K750-L753 PolarHBondContact O-N 2.09Å; L753-I756 PolarHBondContact O-N 2.72Å; L753-S757 WeakPolarHBondContact O-CB 3.49Å; L753-S757 PolarHBondContact O-N 3.2Å; L753-S757 PolarHBondContact O-OG 3.48Å |
| 754 | L | 65.9 | Low | 58.7 | Low | 103 Ų | 103 | 98.2 Ų | 98.2 | 54% | 0.539 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 174.1 | -76.9 | 165.4 | 0 | 0 | 0 | 111.5 | K750 Q751 S757 T758 | K750-L754 WeakPolarHBondContact O-CB 3.21Å; K750-L754 VanDerWaalsContact O-CG 3.3Å; K750-L754 WeakPolarHBondContact O-CG 3.41Å; K750-L754 PolarHBondContact O-N 3.23Å; Q751-L754 PolarHBondContact O-N 2.08Å; L754-S757 WeakPolarHBondContact CA-OG 3.48Å; L754-S757 CarbonylContact O-C 3.6Å; L754-S757 PolarHBondContact O-N 2.69Å; L754-S757 PolarHBondContact O-OG 3.25Å; L754-T758 WeakPolarHBondContact O-CB 3.37Å; L754-T758 WeakPolarHBondContact O-CG2 3.22Å; L754-T758 PolarHBondContact O-N 2.92Å; L754-T758 PolarHBondContact O-OG1 3.28Å |
| 755 | N | 64.5 | Low | 57.3 | Low | 86 Ų | 86 | 97.3 Ų | 97.3 | 46% | 0.46 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.1 | -42.5 | 177.2 | -71.3 | -13.3 | 0 | 0 | 0 | 111.4 | Q751 K752 S757 T758 L759 | Q751-N755 VanDerWaalsContact O-CB 3.24Å; Q751-N755 WeakPolarHBondContact O-CB 3.36Å; Q751-N755 PolarHBondContact O-N 3.49Å; Q751-N755 PolarHBondContact O-ND2 2.06Å; K752-N755 PolarHBondContact O-N 2.71Å; N755-S757 VanDerWaalsContact C-N 3.33Å; N755-S757 PolarHBondContact O-N 3.48Å; N755-T758 WeakPolarHBondContact CA-OG1 3.3Å; N755-T758 PolarHBondContact O-N 2.71Å; N755-T758 PolarHBondContact O-OG1 3.36Å; N755-L759 HydrophobicContact CB-CD1 4.31Å; N755-L759 WeakPolarHBondContact O-CB 3.35Å; N755-L759 WeakPolarHBondContact O-CG 3.43Å; N755-L759 PolarHBondContact O-N 2.08Å |
| 756 | I | 60.8 | Low | 55.8 | Low | 105 Ų | 105 | 97.1 Ų | 97.1 | 54% | 0.538 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 172.5 | -70.5 | 162.6 | 0 | 0 | 0 | 110.6 | K752 L753 T758 H760 | K752-I756 WeakPolarHBondContact O-CB 3.45Å; K752-I756 WeakPolarHBondContact O-CD1 3.43Å; K752-I756 WeakPolarHBondContact O-CG1 3.46Å; K752-I756 PolarHBondContact O-N 2.85Å; L753-I756 PolarHBondContact O-N 2.72Å; I756-T758 VanDerWaalsContact C-N 3.27Å; I756-T758 PolarHBondContact O-N 2.85Å; I756-H760 PolarHBondContact O-N 3.48Å |
| 757 | S | 49.5 | Very low | 54.2 | Low | 54 Ų | 54 | 99.4 Ų | 99.4 | 38% | 0.378 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.2 | -21.1 | 178.7 | 76.7 | 0 | 0 | 0 | 0 | 114.2 | L753 L754 N755 | L753-S757 WeakPolarHBondContact O-CB 3.49Å; L753-S757 PolarHBondContact O-N 3.2Å; L753-S757 PolarHBondContact O-OG 3.48Å; L754-S757 WeakPolarHBondContact CA-OG 3.48Å; L754-S757 CarbonylContact O-C 3.6Å; L754-S757 PolarHBondContact O-N 2.69Å; L754-S757 PolarHBondContact O-OG 3.25Å; N755-S757 VanDerWaalsContact C-N 3.33Å; N755-S757 PolarHBondContact O-N 3.48Å |
| 758 | T | 52.4 | Low | 52.1 | Low | 58 Ų | 58 | 98.5 Ų | 98.5 | 36% | 0.356 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -104.8 | -16.2 | -178.8 | 52.9 | 0 | 0 | 0 | 0 | 114.3 | L754 N755 I756 R764 | L754-T758 WeakPolarHBondContact O-CB 3.37Å; L754-T758 WeakPolarHBondContact O-CG2 3.22Å; L754-T758 PolarHBondContact O-N 2.92Å; L754-T758 PolarHBondContact O-OG1 3.28Å; N755-T758 WeakPolarHBondContact CA-OG1 3.3Å; N755-T758 PolarHBondContact O-N 2.71Å; N755-T758 PolarHBondContact O-OG1 3.36Å; I756-T758 VanDerWaalsContact C-N 3.27Å; I756-T758 PolarHBondContact O-N 2.85Å; T758-R764 VanDerWaalsContact O-CZ 3.3Å; T758-R764 PolarHBondContact O-NE 3.34Å; T758-R764 PolarHBondContact O-NH2 3.18Å |
| 759 | L | 40.5 | Very low | 50.1 | Low | 139 Ų | 139 | 99.9 Ų | 99.9 | 73% | 0.728 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -93.9 | -17.7 | 175.6 | -70.1 | 169.5 | 0 | 0 | 0 | 113.6 | N755 P761 | N755-L759 HydrophobicContact CB-CD1 4.31Å; N755-L759 WeakPolarHBondContact O-CB 3.35Å; N755-L759 WeakPolarHBondContact O-CG 3.43Å; N755-L759 PolarHBondContact O-N 2.08Å; L759-P761 VanDerWaalsContact O-CD 3.25Å; L759-P761 WeakPolarHBondContact O-CD 3.46Å |
| 760 | H | 39.8 | Very low | 47.9 | Very low | 88 Ų | 88 | 103.6 Ų | 103.6 | 41% | 0.407 | 58% | 0.575 | S | S | . | * | | | trans | -80.7 | 110.8 | 172.8 | -133.1 | -87.1 | 0 | 0 | 0 | 110 | I756 E762 L763 R764 | I756-H760 PolarHBondContact O-N 3.48Å; H760-E762 IonicContact CE1-OE2 3.64Å; H760-E762 PolarHBondContact CE1-OE2 3.14Å; H760-E762 VanDerWaalsContact CE1-OE2 3.26Å; H760-E762 IonicContact ND1-OE2 2.74Å; H760-E762 PolarHBondContact O-N 3.48Å; H760-L763 HydrophobicContact CB-CB 4.14Å; H760-L763 HydrophobicContact CB-CD1 3.77Å; H760-L763 HydrophobicContact CB-CG 3.85Å; H760-L763 PolarHBondContact O-N 3.11Å; H760-R764 PolarHBondContact O-N 3.26Å |
| 761 | P | 40 | Very low | 45.7 | Very low | 100 Ų | 100 | 103.5 Ų | 103.5 | 65% | 0.649 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62.7 | -32.4 | -179 | 24.8 | -33.4 | 0 | 0 | 0 | 112 | L759 L763 R764 | L759-P761 VanDerWaalsContact O-CD 3.25Å; L759-P761 WeakPolarHBondContact O-CD 3.46Å; P761-L763 PolarHBondContact O-N 2.91Å; P761-R764 PolarHBondContact O-N 2.91Å |
| 762 | E | 39.8 | Very low | 43.7 | Very low | 134 Ų | 134 | 103.8 Ų | 103.8 | 63% | 0.626 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.3 | -14.5 | 175.9 | -54.2 | -178.5 | 145.4 | 0 | 0 | 114.4 | H760 S765 | H760-E762 IonicContact CE1-OE2 3.64Å; H760-E762 PolarHBondContact CE1-OE2 3.14Å; H760-E762 VanDerWaalsContact CE1-OE2 3.26Å; H760-E762 IonicContact ND1-OE2 2.74Å; H760-E762 PolarHBondContact O-N 3.48Å; E762-S765 PolarHBondContact O-OG 2.87Å |
| 763 | L | 38.6 | Very low | 41.9 | Very low | 75 Ų | 75 | 105.5 Ų | 105.5 | 39% | 0.393 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -93.6 | -23.6 | 173.7 | -66.2 | 178.2 | 0 | 0 | 0 | 112.2 | H760 P761 | H760-L763 HydrophobicContact CB-CB 4.14Å; H760-L763 HydrophobicContact CB-CD1 3.77Å; H760-L763 HydrophobicContact CB-CG 3.85Å; H760-L763 PolarHBondContact O-N 3.11Å; P761-L763 PolarHBondContact O-N 2.91Å |
| 764 | R | 34.9 | Very low | 40.2 | Very low | 168 Ų | 168 | 107.7 Ų | 107.7 | 63% | 0.634 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.9 | -34.4 | 176.2 | -71 | -169.1 | 179 | -137.4 | 2.4 | 112.8 | T758 H760 P761 A766 V767 | T758-R764 VanDerWaalsContact O-CZ 3.3Å; T758-R764 PolarHBondContact O-NE 3.34Å; T758-R764 PolarHBondContact O-NH2 3.18Å; H760-R764 PolarHBondContact O-N 3.26Å; P761-R764 PolarHBondContact O-N 2.91Å; R764-A766 PolarHBondContact O-N 3.5Å; R764-V767 PolarHBondContact O-N 2.85Å |
| 765 | S | 37.3 | Very low | 38.6 | Very low | 87 Ų | 87 | 107 Ų | 107 | 61% | 0.608 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -23.3 | 177.8 | 54.9 | 0 | 0 | 0 | 0 | 113.7 | E762 | E762-S765 PolarHBondContact O-OG 2.87Š|
| 766 | A | 36.5 | Very low | 37 | Very low | 80 Ų | 80 | 112.3 Ų | 112.3 | 66% | 0.661 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -6.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | R764 | R764-A766 PolarHBondContact O-N 3.5Š|
| 767 | V | 35.2 | Very low | 35.6 | Very low | 133 Ų | 133 | 112.2 Ų | 112.2 | 81% | 0.806 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.6 | -8.7 | -168.7 | -174.9 | 0 | 0 | 0 | 0 | 113.3 | R764 | R764-V767 PolarHBondContact O-N 2.85Š|
| 768 | G | 28.2 | Very low | 34.6 | Very low | 58 Ų | 58 | 113.6 Ų | 113.6 | 60% | 0.598 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -152.6 | 52 | -165.1 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 769 | T | 29.2 | Very low | 33.7 | Very low | 123 Ų | 123 | 115.4 Ų | 115.4 | 76% | 0.755 | 71% | 0.707 | S | S | * | * | | | trans | -157.7 | 130.1 | 151.2 | 18.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 770 | T | 28 | Very low | 33.2 | Very low | 152 Ų | 152 | 119 Ų | 119 | 93% | 0.933 | 71% | 0.712 | S | S | * | * | | | trans | -106 | 82.2 | 175 | 49.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 771 | S | 29.7 | Very low | 32.9 | Very low | 104 Ų | 104 | 120.9 Ų | 120.9 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | | | trans | -157.5 | 129.4 | 166.3 | 55.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 772 | V | 29.9 | Very low | 32.5 | Very low | 132 Ų | 132 | 126.2 Ų | 126.2 | 80% | 0.8 | 74% | 0.739 | S | S | * | * | | | trans | -54.7 | 132.6 | -179.6 | -160.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 773 | L | 33.5 | Very low | 32 | Very low | 143 Ų | 143 | 128.6 Ų | 128.6 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | | | | 174 | 156.7 | 115.1 | -90.1 | 170 | 0 | 0 | 0 | 113.8 | | |
| 774 | D | 31 | Very low | 31.8 | Very low | 140 Ų | 140 | 131.7 Ų | 131.7 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | | | trans | -17.8 | 130.1 | 179.4 | -51.1 | -35.6 | 0 | 0 | 0 | 118.7 | | |
| 775 | A | 31.8 | Very low | 31.8 | Very low | 87 Ų | 87 | 130.7 Ų | 130.7 | 72% | 0.719 | 78% | 0.778 | S | S | * | * | | | cis | 85.1 | 107.2 | 44.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 776 | Q | 30.2 | Very low | 31.7 | Very low | 198 Ų | 198 | 137.9 Ų | 137.9 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | | | trans | -167.3 | 160.1 | 135.4 | -110.3 | 172.5 | 66.3 | 0 | 0 | 112.5 | | |
| 777 | A | 32.1 | Very low | 31.7 | Very low | 104 Ų | 104 | 140 Ų | 140 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | | | trans | 53.1 | 94.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 778 | G | 29.1 | Very low | 31.9 | Very low | 82 Ų | 82 | 137.2 Ų | 137.2 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | | | trans | -100.3 | 176.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 779 | S | 32.6 | Very low | 32.3 | Very low | 97 Ų | 97 | 143.5 Ų | 143.5 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | | | trans | -165.7 | 131.3 | 161.6 | -142.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 780 | Y | 29.2 | Very low | 32.7 | Very low | 214 Ų | 214 | 145.3 Ų | 145.3 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | | | trans | 58.7 | 139.8 | 172.2 | -57.6 | -73.1 | 0 | 0 | 0 | 119.8 | | |
| 781 | P | 34 | Very low | 33 | Very low | 127 Ų | 127 | 142.6 Ų | 142.6 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | | | trans | -86.8 | 131.2 | -176.6 | 33.6 | -33.9 | 0 | 0 | 0 | 113.4 | | |
| 782 | R | 32.3 | Very low | 33.3 | Very low | 212 Ų | 212 | 144 Ų | 144 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | | | trans | -92.8 | 131.7 | 158.7 | -82.1 | -176.3 | 167.4 | 173.4 | -2.4 | 109.8 | I784 | R782-I784 PolarHBondContact O-N 3.45Å; R782-I784 VanDerWaalsContact O-N 3.15Å |
| 783 | L | 29.6 | Very low | 33.5 | Very low | 185 Ų | 185 | 144.2 Ų | 144.2 | 97% | 0.969 | 77% | 0.767 | S | S | * | * | | | trans | -66.9 | 108 | 171.8 | -78.8 | 164 | 0 | 0 | 0 | 110.1 | | |
| 784 | I | 34.2 | Very low | 33.4 | Very low | 139 Ų | 139 | 144.8 Ų | 144.8 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | | | trans | -112.9 | 109.8 | 171.4 | -60.9 | 178.3 | 0 | 0 | 0 | 108.1 | R782 R786 | R782-I784 PolarHBondContact O-N 3.45Å; R782-I784 VanDerWaalsContact O-N 3.15Å; I784-R786 PolarHBondContact O-N 2.64Å |
| 785 | L | 35.1 | Very low | 33.5 | Very low | 148 Ų | 148 | 142.7 Ų | 142.7 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | | | trans | -69.4 | 99.1 | 174.6 | -75 | 165.6 | 0 | 0 | 0 | 110 | I787 | L785-I787 PolarHBondContact O-N 2.79Å; L785-I787 VanDerWaalsContact O-N 3.15Å |
| 786 | R | 34.1 | Very low | 33.5 | Very low | 237 Ų | 237 | 146.2 Ų | 146.2 | 89% | 0.894 | 78% | 0.78 | S | S | * | * | | | trans | -73.6 | 99.4 | 166.9 | -80.8 | -176.3 | 170.4 | 154.4 | -2 | 109.6 | I784 | I784-R786 PolarHBondContact O-N 2.64Š|
| 787 | I | 37.4 | Very low | 33.7 | Very low | 126 Ų | 126 | 142 Ų | 142 | 65% | 0.646 | 77% | 0.773 | S | S | * | * | | | trans | -67.2 | 128.6 | 167.8 | -58 | 173.7 | 0 | 0 | 0 | 108.2 | L785 K789 | L785-I787 PolarHBondContact O-N 2.79Å; L785-I787 VanDerWaalsContact O-N 3.15Å; I787-K789 PolarHBondContact O-N 3.02Å |
| 788 | P | 38.4 | Very low | 33.7 | Very low | 73 Ų | 73 | 145.6 Ų | 145.6 | 47% | 0.474 | 77% | 0.771 | S | S | . | * | | | trans | -60.7 | 133.3 | 172.1 | -22.3 | 33.8 | 0 | 0 | 0 | 111 | E790 C791 | P788-E790 PolarHBondContact O-N 2.76Å; P788-E790 VanDerWaalsContact O-N 3.17Å; P788-C791 PolarHBondContact O-N 2.89Å |
| 789 | K | 36.8 | Very low | 33.8 | Very low | 190 Ų | 190 | 147.3 Ų | 147.3 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -7.8 | -178.6 | -74.9 | -170.3 | 174.1 | -174.9 | 0 | 114 | I787 | I787-K789 PolarHBondContact O-N 3.02Š|
| 790 | E | 38.4 | Very low | 33.5 | Very low | 161 Ų | 161 | 147.9 Ų | 147.9 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -26 | 176.1 | -70 | 125.5 | -120.2 | 0 | 0 | 113.2 | P788 L792 | P788-E790 PolarHBondContact O-N 2.76Å; P788-E790 VanDerWaalsContact O-N 3.17Å; E790-L792 PolarHBondContact O-N 2.95Å; E790-L792 VanDerWaalsContact O-N 3.07Å |
| 791 | C | 33 | Very low | 33.8 | Very low | 95 Ų | 95 | 146 Ų | 146 | 64% | 0.642 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | 29.7 | -174.6 | -55.2 | 0 | 0 | 0 | 0 | 114.5 | P788 | P788-C791 PolarHBondContact O-N 2.89Š|
| 792 | L | 36.3 | Very low | 33.8 | Very low | 135 Ų | 135 | 147.2 Ų | 147.2 | 71% | 0.707 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.5 | 13.9 | -169 | -119.1 | 167.7 | 0 | 0 | 0 | 115 | E790 | E790-L792 PolarHBondContact O-N 2.95Å; E790-L792 VanDerWaalsContact O-N 3.07Å |
| 793 | N | 33.8 | Very low | 34 | Very low | 135 Ų | 135 | 144.5 Ų | 144.5 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | | | trans | -123.1 | -5.3 | -177.1 | -85 | -25.3 | 0 | 0 | 0 | 115.8 | A795 | N793-A795 PolarHBondContact O-N 3.49Š|
| 794 | D | 32.7 | Very low | 34 | Very low | 156 Ų | 156 | 144 Ų | 144 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | | | trans | -80.3 | 51.6 | -176 | -62.6 | -44.5 | 0 | 0 | 0 | 113.7 | | |
| 795 | A | 32.5 | Very low | 34 | Very low | 96 Ų | 96 | 141 Ų | 141 | 79% | 0.793 | 77% | 0.766 | S | S | * | * | | | trans | -124.1 | 28.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N793 | N793-A795 PolarHBondContact O-N 3.49Š|
| 796 | N | 32 | Very low | 33.8 | Very low | 160 Ų | 160 | 145.8 Ų | 145.8 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | | | trans | -152.6 | 56.7 | -177 | -140.4 | 6.9 | 0 | 0 | 0 | 115 | | |
| 797 | S | 33.3 | Very low | 33.8 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | | | trans | -150.3 | 104 | 167.8 | 45.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 798 | Q | 33 | Very low | 33.5 | Very low | 178 Ų | 178 | 148.8 Ų | 148.8 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 148.5 | 171.8 | -78.2 | -158.6 | -90.6 | 0 | 0 | 111.8 | | |
| 799 | P | 31 | Very low | 33.4 | Very low | 118 Ų | 118 | 155.5 Ų | 155.5 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 128.7 | 150.3 | 32.6 | -29.6 | 0 | 0 | 0 | 109.5 | | |
| 800 | C | 26.7 | Very low | 33.4 | Very low | 110 Ų | 110 | 158.1 Ų | 158.1 | 74% | 0.743 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 127.1 | 175.7 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 801 | L | 35.3 | Very low | 33 | Very low | 175 Ų | 175 | 162.1 Ų | 162.1 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | | | trans | -147.9 | 120.6 | 150.6 | -81.3 | -174.9 | 0 | 0 | 0 | 109.3 | | |
| 802 | D | 34.7 | Very low | 33.2 | Very low | 151 Ų | 151 | 168.5 Ų | 168.5 | 81% | 0.807 | 83% | 0.833 | S | S | * | * | | | trans | -75.7 | 173.7 | 166.6 | -70.3 | -70.8 | 0 | 0 | 0 | 109.9 | | |
| 803 | Q | 34.7 | Very low | 33.4 | Very low | 156 Ų | 156 | 168.2 Ų | 168.2 | 73% | 0.729 | 84% | 0.837 | S | S | * | * | | | cis | -153.6 | 144.5 | 24.9 | -166.6 | 173.2 | -6.4 | 0 | 0 | 113.6 | | |
| 804 | E | 29.5 | Very low | 33.3 | Very low | 173 Ų | 173 | 171.6 Ų | 171.6 | 81% | 0.808 | 85% | 0.845 | S | S | * | * | | | trans | 32.5 | 140.3 | 156.1 | -62.4 | -178.5 | 96.7 | 0 | 0 | 123.9 | | |
| 805 | G | 35.7 | Very low | 33.5 | Very low | 77 Ų | 77 | 175.8 Ų | 175.8 | 79% | 0.794 | 85% | 0.849 | S | S | * | * | | | trans | -176.1 | 43.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | M807 | G805-M807 PolarHBondContact O-N 3.21Š|
| 806 | R | 31.2 | Very low | 33.7 | Very low | 248 Ų | 248 | 178.7 Ų | 178.7 | 94% | 0.936 | 84% | 0.844 | S | S | * | * | | | trans | -64.7 | 119.5 | -178.4 | -83.2 | -179.4 | 172.4 | 168.3 | 1.2 | 112.6 | | |
| 807 | M | 33.1 | Very low | 33.7 | Very low | 188 Ų | 188 | 178.4 Ų | 178.4 | 93% | 0.926 | 84% | 0.837 | S | S | * | * | | | trans | -139.2 | 139.7 | 152 | -96.4 | -71 | 175.6 | 0 | 0 | 111.6 | G805 | G805-M807 PolarHBondContact O-N 3.21Š|
| 808 | R | 32.1 | Very low | 33.8 | Very low | 239 Ų | 239 | 176.9 Ų | 176.9 | 90% | 0.902 | 83% | 0.831 | S | S | * | * | | | trans | -92.2 | 136.7 | -173.2 | -64.3 | 164.8 | 168.6 | 158.6 | -6.4 | 111.1 | | |
| 809 | K | 36.7 | Very low | 33.8 | Very low | 213 Ų | 213 | 175.9 Ų | 175.9 | 93% | 0.926 | 83% | 0.832 | S | S | * | * | | | trans | -121.1 | 102.9 | 157.9 | -89.3 | -177.6 | 175.6 | 174.6 | 0 | 111.5 | | |
| 810 | R | 35.8 | Very low | 33.9 | Very low | 245 Ų | 245 | 174.2 Ų | 174.2 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | | | trans | -74 | 135.6 | 168.6 | -83.2 | 179.9 | 162 | -177.9 | -5.4 | 109.6 | | |
| 811 | R | 30.4 | Very low | 34.4 | Very low | 245 Ų | 245 | 177.8 Ų | 177.8 | 93% | 0.925 | 83% | 0.829 | S | S | * | * | | | trans | -72.9 | 132.4 | 167.2 | -75.2 | 174 | 160.2 | 177.6 | -6.6 | 110.8 | | |
| 812 | R | 36.3 | Very low | 34.2 | Very low | 230 Ų | 230 | 173.4 Ų | 173.4 | 87% | 0.868 | 82% | 0.818 | S | S | * | * | | | | -169.5 | 120.2 | 129.8 | -112.2 | 174.3 | 178.9 | 176.4 | -0.8 | 114.8 | | |
| 813 | T | 40.2 | Very low | 34.2 | Very low | 128 Ų | 128 | 172.1 Ų | 172.1 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | | | trans | 50.4 | 121.9 | 139.3 | 51.2 | 0 | 0 | 0 | 0 | 121.9 | | |
| 814 | K | 33.3 | Very low | 34.2 | Very low | 206 Ų | 206 | 172.3 Ų | 172.3 | 90% | 0.896 | 82% | 0.822 | S | S | * | * | | | trans | -71.3 | 140.3 | 167.1 | -67.7 | -178.5 | 175 | -177.9 | 0 | 113.7 | | |
| 815 | R | 35.8 | Very low | 34.1 | Very low | 245 Ų | 245 | 170.2 Ų | 170.2 | 93% | 0.925 | 82% | 0.821 | S | S | * | * | | | trans | -160 | 108.3 | 144.8 | -111.8 | -179 | 170.2 | -177.5 | -4.4 | 104.7 | | |
| 816 | K | 36.3 | Very low | 34.2 | Very low | 156 Ų | 156 | 172.4 Ų | 172.4 | 68% | 0.678 | 82% | 0.821 | S | S | * | * | | | | 82 | 116.9 | 59.6 | -169.7 | 178.1 | -171.3 | -93.2 | 0 | 111.6 | | |
| 817 | E | 33 | Very low | 34.1 | Very low | 155 Ų | 155 | 164.8 Ų | 164.8 | 72% | 0.724 | 81% | 0.811 | S | S | * | * | | | trans | 67.7 | 142.4 | 170.7 | -74.6 | 148.8 | 173.6 | 0 | 0 | 117.1 | | |
| 818 | A | 36.1 | Very low | 33.7 | Very low | 78 Ų | 78 | 162.2 Ų | 162.2 | 65% | 0.645 | 81% | 0.805 | S | S | * | * | | | cis | -161.5 | 159.6 | -11.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 819 | N | 32.1 | Very low | 33.5 | Very low | 158 Ų | 158 | 158.3 Ų | 158.3 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | | | trans | 62.7 | 156.9 | 158.7 | -70.8 | 10.5 | 0 | 0 | 0 | 117.9 | | |
| 820 | S | 33.8 | Very low | 33.2 | Very low | 83 Ų | 83 | 152.4 Ų | 152.4 | 58% | 0.58 | 79% | 0.786 | S | S | * | * | | | cis | -155.2 | 160 | -5.9 | 32.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 821 | E | 35.4 | Very low | 32.9 | Very low | 185 Ų | 185 | 145.2 Ų | 145.2 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | | | trans | 63.7 | 160.7 | 157.8 | -67.9 | 152.4 | -174.2 | 0 | 0 | 118.4 | | |
| 822 | A | 31 | Very low | 33 | Very low | 83 Ų | 83 | 143.2 Ų | 143.2 | 69% | 0.686 | 77% | 0.766 | S | S | * | * | | | cis | -161.1 | 148.3 | -37.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 823 | P | 36.6 | Very low | 32.9 | Very low | 124 Ų | 124 | 137.7 Ų | 137.7 | 81% | 0.805 | 75% | 0.754 | S | S | * | * | | | trans | -98.8 | 134.1 | -173.1 | 35.7 | -32.9 | 0 | 0 | 0 | 115.1 | | |
| 824 | I | 33.6 | Very low | 32.6 | Very low | 159 Ų | 159 | 138.1 Ų | 138.1 | 82% | 0.815 | 75% | 0.751 | S | S | * | * | | | trans | -145.2 | 112.3 | 171.8 | -57.8 | -177.3 | 0 | 0 | 0 | 105.9 | | |
| 825 | V | 27.8 | Very low | 32.5 | Very low | 130 Ų | 130 | 132.7 Ų | 132.7 | 79% | 0.788 | 74% | 0.739 | S | S | * | * | | | | 76.8 | 132.5 | 68.6 | 175.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 826 | P | 37.3 | Very low | 32.2 | Very low | 122 Ų | 122 | 126 Ų | 126 | 79% | 0.792 | 73% | 0.729 | S | S | * | * | | | trans | -104.9 | 159.3 | -156.3 | 39.8 | -36.4 | 0 | 0 | 0 | 117.3 | | |
| 827 | A | 29.5 | Very low | 31.9 | Very low | 88 Ų | 88 | 124 Ų | 124 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | | | trans | -144.2 | 140.1 | 157.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 828 | V | 25.3 | Very low | 31.9 | Very low | 134 Ų | 134 | 125.1 Ų | 125.1 | 81% | 0.812 | 73% | 0.732 | S | S | * | * | | | cis | 72.9 | 143.9 | 46 | -172.8 | 0 | 0 | 0 | 0 | 112 | | |
| 829 | I | 28 | Very low | 31.7 | Very low | 158 Ų | 158 | 125.3 Ų | 125.3 | 81% | 0.81 | 73% | 0.733 | S | S | * | * | | | trans | 80.8 | 130.9 | -176.8 | -51.1 | -179.8 | 0 | 0 | 0 | 113.6 | | |
| 830 | S | 29 | Very low | 31.5 | Very low | 88 Ų | 88 | 123 Ų | 123 | 62% | 0.615 | 73% | 0.73 | S | S | * | * | | | cis | -170.6 | 177.1 | -21.8 | 65 | 0 | 0 | 0 | 0 | 109.8 | | |
| 831 | S | 30.1 | Very low | 31.4 | Very low | 94 Ų | 94 | 125 Ų | 125 | 66% | 0.657 | 74% | 0.738 | S | S | * | * | | | trans | 75 | 142.6 | 151.1 | -59.9 | 0 | 0 | 0 | 0 | 117.3 | | |
| 832 | R | 33.5 | Very low | 31.2 | Very low | 203 Ų | 203 | 120.2 Ų | 120.2 | 77% | 0.766 | 73% | 0.725 | S | S | * | * | | | cis | -159 | 162.5 | 0.9 | -122.7 | -174.5 | 155.8 | 120.1 | -3.2 | 112.2 | | |
| 833 | D | 32.3 | Very low | 31.1 | Very low | 115 Ų | 115 | 123.4 Ų | 123.4 | 62% | 0.615 | 73% | 0.731 | S | S | * | * | | | trans | 15.5 | 138.5 | 141.4 | -39.9 | -19.4 | 0 | 0 | 0 | 118 | | |
| 834 | D | 35 | Very low | 30.8 | Very low | 137 Ų | 137 | 122.8 Ų | 122.8 | 73% | 0.733 | 73% | 0.728 | S | S | * | * | | | cis | -141.8 | 149.7 | 19.7 | -103.5 | -65.2 | 0 | 0 | 0 | 110 | | |
| 835 | S | 30.3 | Very low | 30.5 | Very low | 91 Ų | 91 | 122.2 Ų | 122.2 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | | | | 51.9 | 139.5 | 80.3 | 110.5 | 0 | 0 | 0 | 0 | 114.4 | | |
| 836 | C | 30.5 | Very low | 30.7 | Very low | 104 Ų | 104 | 121.3 Ų | 121.3 | 70% | 0.703 | 72% | 0.721 | S | S | * | * | | | cis | -167 | 158.2 | 34.7 | -130.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 837 | V | 30.4 | Very low | 30.3 | Very low | 114 Ų | 114 | 122.9 Ų | 122.9 | 69% | 0.691 | 72% | 0.723 | S | S | * | * | | | trans | 66.7 | 134.8 | 137 | 161.2 | 0 | 0 | 0 | 0 | 119.1 | | |
| 838 | K | 32.7 | Very low | 30.6 | Very low | 180 Ų | 180 | 123.6 Ų | 123.6 | 78% | 0.783 | 72% | 0.72 | S | S | * | * | | | cis | -165.8 | 167.3 | 2.3 | -122.2 | 174.2 | -148.8 | 159.2 | 0 | 111.8 | | |
| 839 | A | 30.6 | Very low | 30.7 | Very low | 81 Ų | 81 | 126.5 Ų | 126.5 | 67% | 0.669 | 72% | 0.722 | S | S | * | * | | | trans | 62.9 | 123.3 | 148 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 840 | S | 28.5 | Very low | 31.4 | Very low | 111 Ų | 111 | 123.8 Ų | 123.8 | 78% | 0.776 | 72% | 0.715 | S | S | * | * | | | | 68.5 | 141.6 | 74.4 | -48.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 841 | T | 32.8 | Very low | 31.3 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 76% | 0.755 | 73% | 0.725 | S | S | * | * | | | cis | -159.6 | 152.3 | 32.7 | -31.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 842 | S | 31.6 | Very low | 31.4 | Very low | 85 Ų | 85 | 127.4 Ų | 127.4 | 59% | 0.594 | 73% | 0.727 | S | S | * | * | | | trans | 51.6 | 123.5 | 144.5 | 59.4 | 0 | 0 | 0 | 0 | 123.2 | | |
| 843 | N | 28.9 | Very low | 31.3 | Very low | 151 Ų | 151 | 126.2 Ų | 126.2 | 81% | 0.807 | 73% | 0.73 | S | S | * | * | | | | 47.4 | 119.2 | 119.5 | -45.2 | -14.4 | 0 | 0 | 0 | 120.6 | | |
| 844 | C | 28.8 | Very low | 31.2 | Very low | 110 Ų | 110 | 125.6 Ų | 125.6 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | | | | -173.7 | 140.3 | 110.2 | -90.7 | 0 | 0 | 0 | 0 | 108.5 | | |
| 845 | L | 28.7 | Very low | 30.9 | Very low | 148 Ų | 148 | 123 Ų | 123 | 78% | 0.775 | 74% | 0.738 | S | S | * | * | | | | 53.5 | 126.9 | 75.3 | -55 | 173.5 | 0 | 0 | 0 | 111.6 | | |
| 846 | T | 31.9 | Very low | 30.8 | Very low | 111 Ų | 111 | 124.1 Ų | 124.1 | 68% | 0.681 | 75% | 0.745 | S | S | * | * | | | cis | -164.5 | 143.7 | 15.1 | -10.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 847 | N | 28 | Very low | 30.6 | Very low | 155 Ų | 155 | 123.5 Ų | 123.5 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | | | trans | 53.1 | 164.4 | 141.3 | -75 | 5.4 | 0 | 0 | 0 | 122.9 | | |
| 848 | P | 36.4 | Very low | 30.5 | Very low | 103 Ų | 103 | 125.2 Ų | 125.2 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | | | trans | -124.7 | -165.1 | -162.3 | 42 | -25.7 | 0 | 0 | 0 | 114.9 | | |
| 849 | F | 27.3 | Very low | 30.4 | Very low | 195 Ų | 195 | 122 Ų | 122 | 86% | 0.855 | 75% | 0.747 | S | S | * | * | | | trans | 81.8 | 159.3 | 163.2 | -84.1 | -49 | 0 | 0 | 0 | 117.9 | | |
| 850 | P | 42.1 | Very low | 30.2 | Very low | 101 Ų | 101 | 123.6 Ų | 123.6 | 66% | 0.656 | 75% | 0.752 | S | S | * | * | | | | -132.4 | -140 | -125.7 | 46.7 | -28.9 | 0 | 0 | 0 | 114.2 | | |
| 851 | F | 28 | Very low | 30.3 | Very low | 191 Ų | 191 | 122.5 Ų | 122.5 | 84% | 0.838 | 76% | 0.759 | S | S | * | * | | | trans | 88.1 | 147.9 | 177.8 | -80.3 | -85.4 | 0 | 0 | 0 | 118 | | |
| 852 | G | 31.4 | Very low | 30.3 | Very low | 67 Ų | 67 | 120.1 Ų | 120.1 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | | | trans | 118.9 | 66.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 853 | Q | 30.2 | Very low | 30.1 | Very low | 178 Ų | 178 | 123.9 Ų | 123.9 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | | | | 68.3 | 142.7 | 77.5 | -72.1 | -164.2 | -9.3 | 0 | 0 | 116 | | |
| 854 | A | 30.5 | Very low | 30.4 | Very low | 101 Ų | 101 | 124 Ų | 124 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | | | trans | 69.3 | 149.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 855 | A | 29.5 | Very low | 30.5 | Very low | 83 Ų | 83 | 125.4 Ų | 125.4 | 69% | 0.686 | 77% | 0.771 | S | S | * | * | | | cis | -167.7 | 158.2 | -23.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 856 | C | 28.3 | Very low | 30.5 | Very low | 115 Ų | 115 | 123 Ų | 123 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | | | trans | 62.3 | 128.5 | 169.9 | -58.7 | 0 | 0 | 0 | 0 | 115.9 | | |
| 857 | A | 26.4 | Very low | 30.6 | Very low | 90 Ų | 90 | 124.1 Ų | 124.1 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | | | | 70.4 | 150.4 | 51 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 858 | I | 29 | Very low | 30.7 | Very low | 151 Ų | 151 | 123.6 Ų | 123.6 | 77% | 0.774 | 78% | 0.776 | S | S | * | * | | | trans | 109.3 | 110.2 | 174.6 | -61 | 163.2 | 0 | 0 | 0 | 115.1 | | |
| 859 | T | 28.8 | Very low | 30.7 | Very low | 113 Ų | 113 | 124.4 Ų | 124.4 | 69% | 0.693 | 78% | 0.784 | S | S | * | * | | | trans | 27.8 | 121.2 | 150.9 | 61.4 | 0 | 0 | 0 | 0 | 119.9 | | |
| 860 | S | 27.2 | Very low | 30.7 | Very low | 113 Ų | 113 | 124.9 Ų | 124.9 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | | | | 62.9 | 119.8 | 68.6 | 84.7 | 0 | 0 | 0 | 0 | 116 | | |
| 861 | G | 30.1 | Very low | 30.1 | Very low | 88 Ų | 88 | 124.1 Ų | 124.1 | 91% | 0.907 | 79% | 0.788 | S | S | * | * | | | trans | 114.8 | 132.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 862 | G | 32.4 | Very low | 30.2 | Very low | 73 Ų | 73 | 122.5 Ų | 122.5 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | | | trans | 143.1 | 63.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116 | I864 | G862-I864 PolarHBondContact O-N 2.93Š|
| 863 | N | 27.5 | Very low | 30.2 | Very low | 165 Ų | 165 | 125.2 Ų | 125.2 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | | | trans | -65.6 | 120.2 | 165.3 | -83.7 | -10.1 | 0 | 0 | 0 | 109.9 | | |
| 864 | I | 35 | Very low | 30.2 | Very low | 153 Ų | 153 | 121.9 Ų | 121.9 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | | | trans | -139.1 | 97.4 | 158.8 | -35.2 | 176.5 | 0 | 0 | 0 | 110.9 | G862 | G862-I864 PolarHBondContact O-N 2.93Š|
| 865 | N | 31.3 | Very low | 30.3 | Very low | 140 Ų | 140 | 122.4 Ų | 122.4 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | | | trans | 18.5 | 126.9 | 145.7 | -47.7 | -24 | 0 | 0 | 0 | 120.7 | | |
| 866 | A | 28.7 | Very low | 30.4 | Very low | 96 Ų | 96 | 125.5 Ų | 125.5 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | | | trans | 62.8 | 154.8 | 135.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 867 | V | 34.9 | Very low | 30.7 | Very low | 135 Ų | 135 | 125.6 Ų | 125.6 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | cis | -137.3 | 153.4 | 22.7 | -168.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 868 | D | 30.2 | Very low | 31 | Very low | 145 Ų | 145 | 124.5 Ų | 124.5 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | | | trans | -51 | 146.9 | 164.7 | -68.4 | -96.7 | 0 | 0 | 0 | 113.8 | | |
| 869 | S | 35 | Very low | 31.2 | Very low | 120 Ų | 120 | 125.3 Ų | 125.3 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | | | | -164.9 | 146.1 | 114.4 | -82.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 870 | K | 29.2 | Very low | 31.3 | Very low | 204 Ų | 204 | 125.8 Ų | 125.8 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | | | trans | -74.2 | 152.2 | 170.7 | -55.8 | 162.2 | -179.2 | 171.9 | 0 | 110 | | |
| 871 | A | 29.4 | Very low | 31.6 | Very low | 85 Ų | 85 | 125.5 Ų | 125.5 | 70% | 0.702 | 80% | 0.798 | S | S | * | * | | | | -174.6 | 147.4 | 126.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 872 | D | 30 | Very low | 31.7 | Very low | 158 Ų | 158 | 127.5 Ų | 127.5 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | | | trans | 47.7 | 116.8 | 141.7 | -51 | -21.8 | 0 | 0 | 0 | 121.7 | | |
| 873 | S | 30.6 | Very low | 31.9 | Very low | 124 Ų | 124 | 128.6 Ų | 128.6 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | | | trans | -117.1 | 80 | 173.1 | 61.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 874 | S | 30.6 | Very low | 32.3 | Very low | 107 Ų | 107 | 128.2 Ų | 128.2 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | | | trans | -164.6 | 173.8 | 162.9 | 65 | 0 | 0 | 0 | 0 | 111.1 | | |
| 875 | S | 31.2 | Very low | 32.3 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | | | trans | 79.2 | 149.6 | -173.7 | 85.7 | 0 | 0 | 0 | 0 | 114.8 | | |
| 876 | D | 31.7 | Very low | 32.6 | Very low | 148 Ų | 148 | 128.4 Ų | 128.4 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | | | cis | -154.1 | -178 | -1.1 | -145 | -22.9 | 0 | 0 | 0 | 113.1 | | |
| 877 | S | 36.1 | Very low | 33 | Very low | 118 Ų | 118 | 127.7 Ų | 127.7 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | | | trans | 83.5 | 128.6 | 167.4 | 75.1 | 0 | 0 | 0 | 0 | 118 | | |
| 878 | G | 32.2 | Very low | 33.3 | Very low | 66 Ų | 66 | 127.5 Ų | 127.5 | 68% | 0.68 | 76% | 0.759 | S | S | * | * | | | cis | 154.2 | 156 | -17.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 879 | I | 32.3 | Very low | 33.6 | Very low | 168 Ų | 168 | 124.6 Ų | 124.6 | 86% | 0.862 | 76% | 0.755 | S | S | * | * | | | trans | 72.7 | 133.3 | 157.5 | -55.7 | 172.1 | 0 | 0 | 0 | 116.8 | | |
| 880 | V | 31.3 | Very low | 33.6 | Very low | 124 Ų | 124 | 128 Ų | 128 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | | | cis | -173.3 | 169.5 | -29.4 | 111.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 881 | C | 33.2 | Very low | 33.9 | Very low | 106 Ų | 106 | 123.4 Ų | 123.4 | 72% | 0.716 | 75% | 0.748 | S | S | * | * | | | trans | 72.9 | 146.1 | 167.7 | -81.1 | 0 | 0 | 0 | 0 | 119.1 | | |
| 882 | D | 33.2 | Very low | 34.3 | Very low | 131 Ų | 131 | 123 Ų | 123 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | | | cis | -166.6 | 177.9 | -18.6 | -139.6 | -48.9 | 0 | 0 | 0 | 112.8 | | |
| 883 | S | 37.4 | Very low | 34.6 | Very low | 96 Ų | 96 | 119.2 Ų | 119.2 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | | | trans | 79.5 | 114 | 168.8 | -55.5 | 0 | 0 | 0 | 0 | 117.4 | | |
| 884 | K | 34.4 | Very low | 35 | Very low | 157 Ų | 157 | 122 Ų | 122 | 68% | 0.683 | 75% | 0.75 | S | S | * | * | | | | 77.2 | 137.8 | 64.7 | -75 | 174.7 | 156 | -81.1 | 0 | 113.1 | | |
| 885 | E | 35.7 | Very low | 35.1 | Very low | 142 Ų | 142 | 124 Ų | 124 | 66% | 0.664 | 75% | 0.75 | S | S | * | * | | | cis | -160.8 | -178.6 | -2.6 | -118.1 | 157.6 | 173.6 | 0 | 0 | 108.1 | | |
| 886 | E | 37.1 | Very low | 35.2 | Very low | 154 Ų | 154 | 126.1 Ų | 126.1 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | | | cis | -149.3 | -144.4 | 15.8 | -144.5 | -71.6 | 101.3 | 0 | 0 | 110.1 | | |
| 887 | S | 37.1 | Very low | 35.2 | Very low | 81 Ų | 81 | 124.2 Ų | 124.2 | 57% | 0.566 | 74% | 0.741 | S | S | * | * | | | trans | -111.1 | -173.6 | -166.7 | -56.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 888 | P | 41.6 | Very low | 35.1 | Very low | 131 Ų | 131 | 124.1 Ų | 124.1 | 85% | 0.851 | 74% | 0.735 | S | S | * | * | | | | -138.2 | 163.1 | 85.9 | 38.7 | -25.1 | 0 | 0 | 0 | 116 | | |
| 889 | A | 35.8 | Very low | 34.9 | Very low | 85 Ų | 85 | 128.4 Ų | 128.4 | 70% | 0.702 | 74% | 0.737 | S | S | * | * | | | trans | -82.9 | -177.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 890 | F | 34.7 | Very low | 35.3 | Very low | 191 Ų | 191 | 127.9 Ų | 127.9 | 84% | 0.838 | 74% | 0.735 | S | S | * | * | | | cis | -165 | 155.3 | 18.6 | -164.3 | -125.5 | 0 | 0 | 0 | 112.1 | | |
| 891 | S | 37.3 | Very low | 35.6 | Very low | 107 Ų | 107 | 128 Ų | 128 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | | | trans | 56.3 | 140.5 | 157.7 | 61.5 | 0 | 0 | 0 | 0 | 121.9 | | |
| 892 | G | 36.5 | Very low | 35.6 | Very low | 76 Ų | 76 | 128.8 Ų | 128.8 | 78% | 0.784 | 75% | 0.746 | S | S | * | * | | | cis | 160 | 148.5 | -11.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 893 | G | 37.4 | Very low | 35.7 | Very low | 80 Ų | 80 | 127.5 Ų | 127.5 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | | | trans | 82.2 | 147.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 894 | Q | 37.4 | Very low | 35.4 | Very low | 181 Ų | 181 | 128 Ų | 128 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | | | cis | -148.6 | 138.4 | -8.2 | -96.3 | 177.6 | -28.4 | 0 | 0 | 107.5 | | |
| 895 | M | 32.7 | Very low | 35.4 | Very low | 151 Ų | 151 | 123.9 Ų | 123.9 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | | | | 66.3 | 134.7 | 92.1 | -150.8 | 161.7 | 172.7 | 0 | 0 | 112.8 | | |
| 896 | E | 33.8 | Very low | 35.1 | Very low | 156 Ų | 156 | 123.6 Ų | 123.6 | 73% | 0.729 | 77% | 0.773 | S | S | * | * | | | cis | -154.9 | 140.3 | 38 | -160.4 | 168.9 | -176.6 | 0 | 0 | 107.8 | | |
| 897 | V | 32.7 | Very low | 34.7 | Very low | 108 Ų | 108 | 124.8 Ų | 124.8 | 66% | 0.655 | 78% | 0.779 | S | S | * | * | | | cis | 84.4 | 154.8 | 46.7 | -177.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 898 | V | 33.1 | Very low | 34.2 | Very low | 116 Ų | 116 | 125.6 Ų | 125.6 | 70% | 0.703 | 79% | 0.79 | S | S | * | * | | | trans | 83.7 | 130.1 | -177.7 | -175.3 | 0 | 0 | 0 | 0 | 115.7 | | |
| 899 | E | 28.6 | Very low | 33.5 | Very low | 156 Ų | 156 | 123.1 Ų | 123.1 | 73% | 0.729 | 78% | 0.78 | S | S | * | * | | | cis | -165.3 | -175.2 | -31.2 | -139.7 | 72.8 | -74.5 | 0 | 0 | 111.3 | | |
| 900 | L | 39.8 | Very low | 33.1 | Very low | 156 Ų | 156 | 126.7 Ų | 126.7 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | | | trans | -108.7 | 162.2 | 168.6 | -81.6 | 165.3 | 0 | 0 | 0 | 111.8 | | |
| 901 | P | 39 | Very low | 32.8 | Very low | 128 Ų | 128 | 123.2 Ų | 123.2 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | | | | -146.3 | 172.5 | 115.7 | 38.5 | -24.2 | 0 | 0 | 0 | 115.7 | | |
| 902 | S | 32.7 | Very low | 32.7 | Very low | 122 Ų | 122 | 125 Ų | 125 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | | | trans | -112 | 150.1 | 175.8 | 178.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 903 | A | 35.3 | Very low | 32.7 | Very low | 103 Ų | 103 | 126.6 Ų | 126.6 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | | | trans | -154.9 | 164.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 904 | A | 31.3 | Very low | 32.2 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | | | trans | -136.3 | 169.5 | -165 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 905 | G | 33.3 | Very low | 31.7 | Very low | 69 Ų | 69 | 127.2 Ų | 127.2 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | | | trans | 107.5 | 162.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 906 | T | 30.6 | Very low | 31.6 | Very low | 137 Ų | 137 | 125.3 Ų | 125.3 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | | | cis | -157.4 | 159.1 | -10.5 | -78.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 907 | Q | 27.7 | Very low | 31.2 | Very low | 179 Ų | 179 | 128.1 Ų | 128.1 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | | | trans | -30.5 | 164.3 | 178.3 | -57.1 | 173 | -1.5 | 0 | 0 | 121.4 | | |
| 908 | A | 27.2 | Very low | 31.1 | Very low | 97 Ų | 97 | 126.6 Ų | 126.6 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | | | trans | 82.3 | 154.2 | 147.9 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 909 | A | 26.5 | Very low | 31.2 | Very low | 79 Ų | 79 | 131.9 Ų | 131.9 | 65% | 0.653 | 79% | 0.788 | S | S | * | * | | | cis | -174.1 | -177.1 | -26.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 910 | I | 27.6 | Very low | 31.6 | Very low | 160 Ų | 160 | 130.3 Ų | 130.3 | 82% | 0.821 | 79% | 0.792 | S | S | * | * | | | trans | 72.4 | 141 | 156.3 | -66 | 157.2 | 0 | 0 | 0 | 115.9 | | |
| 911 | T | 28.3 | Very low | 31.1 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 73% | 0.73 | 80% | 0.796 | S | S | * | * | | | cis | -166 | 153.3 | -17.8 | -90 | 0 | 0 | 0 | 0 | 109.8 | | |
| 912 | E | 34.2 | Very low | 30.7 | Very low | 144 Ų | 144 | 131.5 Ų | 131.5 | 67% | 0.673 | 79% | 0.79 | S | S | * | * | | | trans | -44.3 | 152.6 | 165.6 | -91.5 | -78 | 159.9 | 0 | 0 | 115.2 | F914 | E912-F914 PolarHBondContact OE2-N 3.12Å; E912-F914 VanDerWaalsContact OE2-N 3.12Å |
| 913 | P | 37.2 | Very low | 30.6 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 71% | 0.714 | 79% | 0.794 | S | S | * | * | | | | -157.7 | 132.7 | 92.7 | 37.6 | -16.1 | 0 | 0 | 0 | 120.1 | | |
| 914 | F | 26.4 | Very low | 30.4 | Very low | 174 Ų | 174 | 131.1 Ų | 131.1 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | | | | 54.2 | 137.5 | 122.5 | -74.9 | -82.3 | 0 | 0 | 0 | 125.5 | E912 | E912-F914 PolarHBondContact OE2-N 3.12Å; E912-F914 VanDerWaalsContact OE2-N 3.12Å |
| 915 | C | 27.9 | Very low | 30.5 | Very low | 100 Ų | 100 | 133.7 Ų | 133.7 | 68% | 0.676 | 78% | 0.782 | S | S | * | * | | | trans | 65.3 | 119.4 | 136.8 | -78.3 | 0 | 0 | 0 | 0 | 124.3 | | |
| 916 | S | 30.2 | Very low | 30.4 | Very low | 110 Ų | 110 | 137.2 Ų | 137.2 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | | | | 168.6 | 120.4 | 106.7 | -73.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 917 | F | 25.5 | Very low | 30.7 | Very low | 215 Ų | 215 | 135.4 Ų | 135.4 | 94% | 0.943 | 77% | 0.771 | S | S | * | * | | | | 70.2 | 119.2 | 80.8 | -98.1 | -84.2 | 0 | 0 | 0 | 117 | | |
| 918 | G | 31.2 | Very low | 30.8 | Very low | 77 Ų | 77 | 133.7 Ų | 133.7 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | | | trans | 165.4 | 106.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 919 | R | 35.7 | Very low | 31 | Very low | 227 Ų | 227 | 134.4 Ų | 134.4 | 86% | 0.857 | 76% | 0.762 | S | S | * | * | | | trans | -120.4 | 152.2 | 161.7 | -68.9 | -174.4 | 179.8 | -136.3 | 11.5 | 108.2 | | |
| 920 | P | 36.7 | Very low | 31.3 | Very low | 123 Ų | 123 | 140.5 Ų | 140.5 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | | | | -135 | 167.8 | 86.5 | 12.5 | 12 | 0 | 0 | 0 | 112.6 | | |
| 921 | R | 29.6 | Very low | 31.5 | Very low | 240 Ų | 240 | 139.1 Ų | 139.1 | 91% | 0.906 | 77% | 0.773 | S | S | * | * | | | cis | 83 | 127.7 | 38.8 | -75.4 | -167.8 | 176 | -170.8 | 1.4 | 116.4 | | |
| 922 | G | 29.9 | Very low | 31.6 | Very low | 68 Ų | 68 | 139 Ų | 139 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | | | trans | 135.6 | 107.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 923 | V | 31.2 | Very low | 31.4 | Very low | 157 Ų | 157 | 137.1 Ų | 137.1 | 95% | 0.952 | 78% | 0.78 | S | S | * | * | | | | 60.9 | 122.3 | 70 | -172.9 | 0 | 0 | 0 | 0 | 112 | | |
| 924 | G | 29.7 | Very low | 31 | Very low | 60 Ų | 60 | 137.9 Ų | 137.9 | 62% | 0.619 | 78% | 0.782 | S | S | * | * | | | cis | -171.9 | -161.9 | 0.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 925 | D | 33.4 | Very low | 31.1 | Very low | 162 Ų | 162 | 137.6 Ų | 137.6 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | | | trans | 74.7 | 127.1 | 163.1 | -49.9 | -27.3 | 0 | 0 | 0 | 122.2 | | |
| 926 | E | 32.3 | Very low | 31.3 | Very low | 144 Ų | 144 | 137.9 Ų | 137.9 | 67% | 0.673 | 78% | 0.778 | S | S | * | * | | | trans | -103.7 | -175 | 166 | -133.4 | -136.9 | 112 | 0 | 0 | 108 | I928 | E926-I928 PolarHBondContact OE1-N 3.41Š|
| 927 | P | 35.4 | Very low | 31.2 | Very low | 98 Ų | 98 | 138.6 Ų | 138.6 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | | | cis | -143.1 | -165.2 | 15.1 | 32.4 | -5.3 | 0 | 0 | 0 | 117.7 | | |
| 928 | I | 31 | Very low | 31.5 | Very low | 143 Ų | 143 | 134 Ų | 134 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | | | trans | 105.3 | 121.5 | 154.5 | -55.9 | 173.7 | 0 | 0 | 0 | 117 | E926 | E926-I928 PolarHBondContact OE1-N 3.41Š|
| 929 | P | 32.1 | Very low | 31.5 | Very low | 112 Ų | 112 | 138.7 Ų | 138.7 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | trans | -100.9 | 166.7 | -179.5 | 39.6 | -36.5 | 0 | 0 | 0 | 115.4 | | |
| 930 | K | 32.4 | Very low | 31.3 | Very low | 208 Ų | 208 | 133 Ų | 133 | 90% | 0.904 | 77% | 0.768 | S | S | * | * | | | trans | -140.1 | 155.8 | 159.1 | -70.6 | -171.5 | 179.4 | 177.1 | 0 | 110.6 | | |
| 931 | T | 30.6 | Very low | 31.1 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 80% | 0.798 | 77% | 0.771 | S | S | * | * | | | trans | -111.4 | 172.6 | -161.6 | 50.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 932 | S | 30 | Very low | 31.3 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | | | trans | 86.6 | 100.1 | 153.8 | -53.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 933 | S | 30.2 | Very low | 31.5 | Very low | 106 Ų | 106 | 134.8 Ų | 134.8 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | | | | -155.7 | 156.4 | 120.3 | -165.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 934 | V | 29.5 | Very low | 31.5 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 76% | 0.758 | 76% | 0.755 | S | S | * | * | | | trans | -127.6 | 137 | -172.2 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 935 | Y | 29.3 | Very low | 31.8 | Very low | 169 Ų | 169 | 136.5 Ų | 136.5 | 66% | 0.663 | 77% | 0.765 | S | S | * | * | | | trans | -135.5 | 157.7 | 166.3 | -74.2 | -52.8 | 0 | 0 | 0 | 110.8 | Q1360 | Y935-Q1360 VanDerWaalsContact CD1-OE1 3.23Å; Y935-Q1360 HydrophobicContact CE1-CG 4.44Å |
| 936 | P | 31.3 | Very low | 31.5 | Very low | 105 Ų | 105 | 135.3 Ų | 135.3 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | | | trans | -91.8 | 157.9 | -140.1 | 33.6 | -37.4 | 0 | 0 | 0 | 116.2 | | |
| 937 | V | 29.1 | Very low | 31.6 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | | | trans | -87.5 | 120.5 | 167.6 | 174.9 | 0 | 0 | 0 | 0 | 109.7 | H939 | V937-H939 PolarHBondContact O-N 2.94Š|
| 938 | S | 31.5 | Very low | 31.4 | Very low | 117 Ų | 117 | 138.9 Ų | 138.9 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -73.7 | 106.9 | 177.5 | -56.4 | 0 | 0 | 0 | 0 | 111.8 | S940 | S938-S940 PolarHBondContact O-N 3.48Š|
| 939 | H | 30.6 | Very low | 31.8 | Very low | 176 Ų | 176 | 138.1 Ų | 138.1 | 82% | 0.815 | 78% | 0.776 | S | S | * | * | | | trans | -71.1 | 113.5 | 169.9 | -80.3 | -69.7 | 0 | 0 | 0 | 111.3 | V937 | V937-H939 PolarHBondContact O-N 2.94Š|
| 940 | S | 32 | Very low | 32 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | | | trans | -78.2 | 116.7 | 161 | -177.3 | 0 | 0 | 0 | 0 | 108.9 | S938 Q942 | S938-S940 PolarHBondContact O-N 3.48Å; S940-Q942 PolarHBondContact O-N 3.23Å |
| 941 | M | 31.7 | Very low | 32.4 | Very low | 176 Ų | 176 | 136 Ų | 136 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | | | trans | -78.1 | 112.2 | 175.3 | -69.5 | -165.2 | 74.9 | 0 | 0 | 110.5 | | |
| 942 | Q | 33.1 | Very low | 32.5 | Very low | 156 Ų | 156 | 136.8 Ų | 136.8 | 73% | 0.729 | 78% | 0.775 | S | S | * | * | | | trans | -85.8 | 132.6 | 164.7 | -67.5 | -177.4 | -23.7 | 0 | 0 | 109.6 | S940 T944 | S940-Q942 PolarHBondContact O-N 3.23Å; Q942-T944 PolarHBondContact O-N 3.24Å; Q942-T944 VanDerWaalsContact O-N 3.08Å |
| 943 | P | 36 | Very low | 32.8 | Very low | 136 Ų | 136 | 137 Ų | 137 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | | | trans | -72 | 100.9 | 169.8 | 29.5 | -32.3 | 0 | 0 | 0 | 109.4 | | |
| 944 | T | 31.2 | Very low | 33.2 | Very low | 101 Ų | 101 | 141.5 Ų | 141.5 | 62% | 0.62 | 78% | 0.778 | S | S | * | * | | | trans | -90.5 | 155.7 | 171.9 | 43.2 | 0 | 0 | 0 | 0 | 111.4 | Q942 | Q942-T944 PolarHBondContact O-N 3.24Å; Q942-T944 VanDerWaalsContact O-N 3.08Å |
| 945 | N | 34.7 | Very low | 33.3 | Very low | 152 Ų | 152 | 139 Ų | 139 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | | | trans | 71.2 | 101.1 | 176.1 | -53.3 | -13.4 | 0 | 0 | 0 | 116.6 | | |
| 946 | C | 27.8 | Very low | 33.6 | Very low | 137 Ų | 137 | 140.5 Ų | 140.5 | 93% | 0.926 | 78% | 0.779 | S | S | * | * | | | trans | -158.3 | 51.4 | 148.3 | -97.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 947 | F | 33.7 | Very low | 33.7 | Very low | 129 Ų | 129 | 140.7 Ų | 140.7 | 57% | 0.566 | 78% | 0.783 | S | S | * | * | | | trans | -108.9 | 91.7 | 162.7 | -113.9 | -67.9 | 0 | 0 | 0 | 107 | | |
| 948 | E | 32.3 | Very low | 34 | Very low | 188 Ų | 188 | 144 Ų | 144 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | | | trans | -94.4 | 103.4 | 178.8 | -169.3 | 167.9 | -149.9 | 0 | 0 | 108.9 | M950 | E948-M950 PolarHBondContact O-N 2.92Š|
| 949 | V | 38.5 | Very low | 34 | Very low | 127 Ų | 127 | 145.7 Ų | 145.7 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -67 | 122.2 | -179 | 179.5 | 0 | 0 | 0 | 0 | 109.4 | P951 | V949-P951 VanDerWaalsContact O-CD 3.3Å; V949-P951 WeakPolarHBondContact O-CD 3.33Å |
| 950 | M | 36.6 | Very low | 34.1 | Very low | 166 Ų | 166 | 145.9 Ų | 145.9 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 120.2 | 179.5 | -78.2 | -170.7 | 158.4 | 0 | 0 | 111.8 | E948 T952 | E948-M950 PolarHBondContact O-N 2.92Å; M950-T952 PolarHBondContact O-N 3.37Å |
| 951 | P | 40.3 | Very low | 34.2 | Very low | 110 Ų | 110 | 148.8 Ų | 148.8 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 117.8 | 173.9 | 31.2 | -32.3 | 0 | 0 | 0 | 111.1 | V949 V953 | V949-P951 VanDerWaalsContact O-CD 3.3Å; V949-P951 WeakPolarHBondContact O-CD 3.33Å; P951-V953 PolarHBondContact O-N 3.47Å |
| 952 | T | 33 | Very low | 34.4 | Very low | 146 Ų | 146 | 146 Ų | 146 | 90% | 0.896 | 79% | 0.79 | S | S | * | * | | | trans | -74.9 | 104.4 | 175.9 | -57.4 | 0 | 0 | 0 | 0 | 111 | M950 | M950-T952 PolarHBondContact O-N 3.37Š|
| 953 | V | 37 | Very low | 34.2 | Very low | 120 Ų | 120 | 150.1 Ų | 150.1 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | trans | -107.9 | 132.3 | -179.6 | -175 | 0 | 0 | 0 | 0 | 111.6 | P951 | P951-V953 PolarHBondContact O-N 3.47Š|
| 954 | K | 37.1 | Very low | 33.8 | Very low | 201 Ų | 201 | 147 Ų | 147 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | | | trans | -80.4 | 135.4 | -178.3 | -64.9 | 172.9 | -178.6 | 172.5 | 0 | 111.5 | | |
| 955 | S | 33.3 | Very low | 33.8 | Very low | 73 Ų | 73 | 151.5 Ų | 151.5 | 51% | 0.51 | 81% | 0.807 | S | S | . | * | | | trans | -81 | 125.9 | -179 | -30.6 | 0 | 0 | 0 | 0 | 112.3 | M1284 | S955-M1284 VanDerWaalsContact OG-CE 3.29Å; S955-M1284 WeakPolarHBondContact OG-CE 2.97Å; S955-M1284 PolarHBondContact OG-SD 3.23Å |
| 956 | Q | 35.1 | Very low | 33.9 | Very low | 200 Ų | 200 | 150.4 Ų | 150.4 | 94% | 0.935 | 81% | 0.81 | S | S | * | * | | | trans | -135.9 | 137.1 | 154.1 | -74.2 | -165.9 | -13.4 | 0 | 0 | 109.5 | | |
| 957 | S | 33 | Very low | 34.1 | Very low | 109 Ų | 109 | 152.6 Ų | 152.6 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | | | trans | -112.4 | 135.2 | -172.3 | 54.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 958 | Q | 35 | Very low | 34 | Very low | 197 Ų | 197 | 154 Ų | 154 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | | | trans | -156.7 | 132.4 | 151.6 | -113.8 | 159 | 32.6 | 0 | 0 | 110.9 | | |
| 959 | D | 31.1 | Very low | 34.2 | Very low | 152 Ų | 152 | 150.8 Ų | 150.8 | 81% | 0.813 | 82% | 0.819 | S | S | * | * | | | trans | -78.4 | 154.1 | 172.3 | -53.9 | -94.9 | 0 | 0 | 0 | 111.4 | | |
| 960 | E | 33.8 | Very low | 34.2 | Very low | 179 Ų | 179 | 150 Ų | 150 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | | | trans | 179.9 | 84.5 | 131.7 | -84.9 | -118.7 | 115 | 0 | 0 | 112.6 | | |
| 961 | Q | 34.1 | Very low | 34.1 | Very low | 169 Ų | 169 | 145.8 Ų | 145.8 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | | | | 47.4 | 85.5 | 126.3 | -163.7 | 176 | -13.5 | 0 | 0 | 122 | | |
| 962 | S | 34.9 | Very low | 34.3 | Very low | 117 Ų | 117 | 145.5 Ų | 145.5 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | -164.8 | 122.1 | 135 | 53.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 963 | R | 28.9 | Very low | 34.8 | Very low | 243 Ų | 243 | 145.1 Ų | 145.1 | 92% | 0.917 | 80% | 0.795 | S | S | * | * | | | cis | 94.8 | 76.7 | 37.9 | -166.3 | -176.4 | -170.9 | 170.2 | 4.7 | 113.1 | | |
| 964 | G | 29.3 | Very low | 35.2 | Very low | 72 Ų | 72 | 143.2 Ų | 143.2 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | | | trans | -167.4 | 108.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 965 | E | 29.7 | Very low | 35.9 | Very low | 195 Ų | 195 | 137.4 Ų | 137.4 | 91% | 0.911 | 77% | 0.767 | S | S | * | * | | | trans | 28.4 | 108.7 | 148 | -59.9 | 173 | 138.1 | 0 | 0 | 121.4 | | |
| 966 | S | 37 | Very low | 37.1 | Very low | 128 Ų | 128 | 136.1 Ų | 136.1 | 90% | 0.895 | 76% | 0.761 | S | S | * | * | | | trans | -173 | 120.6 | 135 | -85.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 967 | Q | 32.4 | Very low | 38.7 | Very low | 183 Ų | 183 | 132 Ų | 132 | 86% | 0.855 | 75% | 0.745 | S | S | * | * | | | trans | -141.9 | 104.9 | 169.8 | -76.7 | -173.4 | -40.6 | 0 | 0 | 109.7 | | |
| 968 | N | 31.4 | Very low | 40.7 | Very low | 158 Ų | 158 | 128.6 Ų | 128.6 | 85% | 0.845 | 72% | 0.724 | S | S | * | * | | | trans | -158.6 | 74.7 | 169.4 | -165.7 | 13.8 | 0 | 0 | 0 | 113.3 | | |
| 969 | S | 36.2 | Very low | 42.9 | Very low | 121 Ų | 121 | 119.7 Ų | 119.7 | 85% | 0.846 | 69% | 0.685 | S | S | * | * | | | trans | -150.1 | 13.6 | 172.5 | -52.4 | 0 | 0 | 0 | 0 | 114.6 | G971 | S969-G971 PolarHBondContact O-N 3.33Š|
| 970 | Q | 38.3 | Very low | 45.3 | Very low | 112 Ų | 112 | 115.1 Ų | 115.1 | 52% | 0.523 | 67% | 0.668 | S | S | . | * | | | trans | -95.5 | 38.6 | -171.8 | -58.5 | -171.7 | -83.9 | 0 | 0 | 113.8 | S972 V974 | Q970-S972 PolarHBondContact O-N 3.21Å; Q970-V974 HydrophobicContact CB-CG2 3.81Å; Q970-V974 WeakPolarHBondContact O-CB 2.75Å; Q970-V974 WeakPolarHBondContact O-CG2 3.12Å |
| 971 | G | 35.3 | Very low | 47.6 | Very low | 77 Ų | 77 | 111.9 Ų | 111.9 | 79% | 0.794 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -31.3 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | S969 | S969-G971 PolarHBondContact O-N 3.33Š|
| 972 | S | 44.6 | Very low | 50.1 | Low | 103 Ų | 103 | 106.9 Ų | 106.9 | 72% | 0.72 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | -38.9 | -176.3 | 51 | 0 | 0 | 0 | 0 | 113.9 | Q970 V974 S975 | Q970-S972 PolarHBondContact O-N 3.21Å; S972-V974 VanDerWaalsContact C-N 3.34Å; S972-V974 PolarHBondContact O-N 2.99Å; S972-S975 PolarHBondContact O-N 3.01Å |
| 973 | E | 42.9 | Very low | 52.6 | Low | 139 Ų | 139 | 105.1 Ų | 105.1 | 65% | 0.65 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.6 | -34.3 | -178.4 | -63.2 | -171.4 | 135.3 | 0 | 0 | 112.8 | S975 A976 D977 | E973-S975 PolarHBondContact O-N 3.13Å; E973-A976 PolarHBondContact O-N 2.72Å; E973-D977 PolarHBondContact O-N 2.89Å |
| 974 | V | 45.9 | Very low | 55.4 | Low | 80 Ų | 80 | 99.8 Ų | 99.8 | 49% | 0.485 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61 | -26.6 | -178.8 | 166.9 | 0 | 0 | 0 | 0 | 112.9 | Q970 S972 A978 | Q970-V974 HydrophobicContact CB-CG2 3.81Å; Q970-V974 WeakPolarHBondContact O-CB 2.75Å; Q970-V974 WeakPolarHBondContact O-CG2 3.12Å; S972-V974 VanDerWaalsContact C-N 3.34Å; S972-V974 PolarHBondContact O-N 2.99Å; V974-A978 WeakPolarHBondContact O-CB 3.41Å; V974-A978 PolarHBondContact O-N 3.17Å |
| 975 | S | 51 | Low | 58.3 | Low | 78 Ų | 78 | 97.7 Ų | 97.7 | 55% | 0.545 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68 | -42.7 | 178.2 | -167.4 | 0 | 0 | 0 | 0 | 112.2 | S972 E973 G979 | S972-S975 PolarHBondContact O-N 3.01Å; E973-S975 PolarHBondContact O-N 3.13Å; S975-G979 PolarHBondContact O-N 2.91Å |
| 976 | A | 58.9 | Low | 61.2 | Low | 46 Ų | 46 | 89.4 Ų | 89.4 | 38% | 0.38 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.4 | -41.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E973 G979 A980 L1049 | E973-A976 PolarHBondContact O-N 2.72Å; A976-G979 PolarHBondContact O-N 2.92Å; A976-A980 PolarHBondContact O-N 3.17Å; A976-A980 VanDerWaalsContact O-N 3.14Å; A976-L1049 HydrophobicContact CB-CD2 4.41Å |
| 977 | D | 68.8 | Low | 63.8 | Low | 113 Ų | 113 | 85.6 Ų | 85.6 | 60% | 0.604 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -69.6 | -35.8 | 179 | -160.4 | 27.9 | 0 | 0 | 0 | 112 | E973 G979 A980 Q981 | E973-D977 PolarHBondContact O-N 2.89Å; D977-G979 PolarHBondContact O-N 2.79Å; D977-A980 PolarHBondContact O-N 3.42Å; D977-Q981 WeakPolarHBondContact O-CB 2.64Å; D977-Q981 PolarHBondContact O-N 2.92Å |
| 978 | A | 75.7 | Confident | 66.6 | Low | 38 Ų | 38 | 80.7 Ų | 80.7 | 31% | 0.314 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.7 | -42.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V974 A980 Q981 I982 | V974-A978 WeakPolarHBondContact O-CB 3.41Å; V974-A978 PolarHBondContact O-N 3.17Å; A978-A980 PolarHBondContact O-N 2.61Å; A978-Q981 PolarHBondContact O-N 2.8Å; A978-I982 VanDerWaalsContact O-CG1 3.25Å; A978-I982 WeakPolarHBondContact O-CG1 3.38Å; A978-I982 PolarHBondContact O-N 3.01Å |
| 979 | G | 80.3 | Confident | 69.5 | Low | 10 Ų | 10 | 77 Ų | 77 | 10% | 0.103 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -59.3 | -44.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S975 A976 D977 K983 | S975-G979 PolarHBondContact O-N 2.91Å; A976-G979 PolarHBondContact O-N 2.92Å; D977-G979 PolarHBondContact O-N 2.79Å; G979-K983 PolarHBondContact O-N 3.35Å; G979-K983 VanDerWaalsContact O-N 3.11Å |
| 980 | A | 81 | Confident | 72.2 | Confident | 56 Ų | 56 | 71.9 Ų | 71.9 | 46% | 0.463 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A976 D977 A978 K983 Q984 | A976-A980 PolarHBondContact O-N 3.17Å; A976-A980 VanDerWaalsContact O-N 3.14Å; D977-A980 PolarHBondContact O-N 3.42Å; A978-A980 PolarHBondContact O-N 2.61Å; A980-K983 PolarHBondContact O-N 2.84Å; A980-Q984 PolarHBondContact O-N 3.33Å |
| 981 | Q | 82.8 | Confident | 74.7 | Confident | 112 Ų | 112 | 71.8 Ų | 71.8 | 52% | 0.523 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.4 | -44.2 | 178 | -171.7 | 178.7 | 88.8 | 0 | 0 | 112 | D977 A978 K983 Q984 I985 | D977-Q981 WeakPolarHBondContact O-CB 2.64Å; D977-Q981 PolarHBondContact O-N 2.92Å; A978-Q981 PolarHBondContact O-N 2.8Å; Q981-K983 PolarHBondContact O-N 2.82Å; Q981-Q984 PolarHBondContact O-N 3.3Å; Q981-I985 HydrophobicContact CG-CD1 4Å; Q981-I985 WeakPolarHBondContact O-CG1 3.37Å; Q981-I985 PolarHBondContact O-N 2.94Å |
| 982 | I | 87.2 | Confident | 77.5 | Confident | 64 Ų | 64 | 71.9 Ų | 71.9 | 33% | 0.328 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.2 | -45.4 | 176.5 | -65.7 | 163.3 | 0 | 0 | 0 | 110.2 | A978 Q984 I985 L986 V1041 | A978-I982 VanDerWaalsContact O-CG1 3.25Å; A978-I982 WeakPolarHBondContact O-CG1 3.38Å; A978-I982 PolarHBondContact O-N 3.01Å; I982-Q984 PolarHBondContact O-N 3.42Å; I982-I985 PolarHBondContact O-N 3.45Å; I982-L986 HydrophobicContact CG2-CD1 3.99Å; I982-L986 HydrophobicContact CG2-CG 4.39Å; I982-L986 WeakPolarHBondContact O-CG 2.71Å; I982-L986 PolarHBondContact O-N 3.44Å; I982-V1041 HydrophobicContact CG2-CG1 3.95Å; I982-V1041 HydrophobicContact CG2-CG2 4.05Å |
| 983 | K | 87.1 | Confident | 79.8 | Confident | 80 Ų | 80 | 67.7 Ų | 67.7 | 35% | 0.348 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -54.4 | -50.3 | 173.6 | 177.7 | -178.4 | -178.8 | -68.9 | 0 | 111.7 | G979 A980 Q981 I985 L986 E987 L1038 L1042 | G979-K983 PolarHBondContact O-N 3.35Å; G979-K983 VanDerWaalsContact O-N 3.11Å; A980-K983 PolarHBondContact O-N 2.84Å; Q981-K983 PolarHBondContact O-N 2.82Å; K983-I985 VanDerWaalsContact C-N 3.29Å; K983-I985 PolarHBondContact O-N 3.06Å; K983-L986 PolarHBondContact O-N 2.89Å; K983-E987 IonicContact NZ-OE1 3.63Å; K983-E987 PolarHBondContact NZ-OE1 3.33Å; K983-E987 WeakPolarHBondContact O-CG 3.25Å; K983-E987 PolarHBondContact O-N 3.16Å; K983-L1038 HydrophobicContact CG-CD1 4.2Å; K983-L1042 HydrophobicContact CD-CD2 3.86Å; K983-L1042 HydrophobicContact CG-CD2 4.36Å |
| 984 | Q | 87.4 | Confident | 82.2 | Confident | 130 Ų | 130 | 64.3 Ų | 64.3 | 61% | 0.607 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60.4 | -38.2 | -180 | -167.1 | -169.7 | 55.4 | 0 | 0 | 112.4 | A980 Q981 I982 K988 | A980-Q984 PolarHBondContact O-N 3.33Å; Q981-Q984 PolarHBondContact O-N 3.3Å; I982-Q984 PolarHBondContact O-N 3.42Å; Q984-K988 WeakPolarHBondContact O-CB 3.32Å; Q984-K988 PolarHBondContact O-N 3.25Å; Q984-K988 VanDerWaalsContact O-N 3.14Å |
| 985 | I | 89.7 | Confident | 84.4 | Confident | 29 Ų | 29 | 66.9 Ų | 66.9 | 15% | 0.149 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -72.5 | -41.8 | 179.7 | -69.2 | 171.9 | 0 | 0 | 0 | 111.4 | L542 Q981 I982 K983 K988 K989 | L542-I985 HydrophobicContact CD1-CD1 4.02Å; L542-I985 HydrophobicContact CD1-CG2 4.39Å; L542-I985 HydrophobicContact CD2-CG2 3.85Å; Q981-I985 HydrophobicContact CG-CD1 4Å; Q981-I985 WeakPolarHBondContact O-CG1 3.37Å; Q981-I985 PolarHBondContact O-N 2.94Å; I982-I985 PolarHBondContact O-N 3.45Å; K983-I985 VanDerWaalsContact C-N 3.29Å; K983-I985 PolarHBondContact O-N 3.06Å; I985-K988 WeakPolarHBondContact O-CB 3.31Å; I985-K988 PolarHBondContact O-N 2.88Å; I985-K989 PolarHBondContact O-N 3.42Å |
| 986 | L | 91.1 | Very high | 86.3 | Confident | 21 Ų | 21 | 69.1 Ų | 69.1 | 11% | 0.11 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.2 | -46.5 | 176.1 | -73.2 | 174.4 | 0 | 0 | 0 | 112.1 | I982 K983 K988 K989 I990 L1037 L1038 V1041 | I982-L986 HydrophobicContact CG2-CD1 3.99Å; I982-L986 HydrophobicContact CG2-CG 4.39Å; I982-L986 WeakPolarHBondContact O-CG 2.71Å; I982-L986 PolarHBondContact O-N 3.44Å; K983-L986 PolarHBondContact O-N 2.89Å; L986-K988 PolarHBondContact O-N 3.06Å; L986-K989 WeakPolarHBondContact O-CA 3.44Å; L986-K989 WeakPolarHBondContact O-CB 3.16Å; L986-K989 PolarHBondContact O-N 3.21Å; L986-I990 WeakPolarHBondContact O-CG1 3.25Å; L986-I990 PolarHBondContact O-N 3.18Å; L986-L1037 HydrophobicContact CD1-CG 4.1Å; L986-L1037 HydrophobicContact CD2-CD2 3.77Å; L986-L1037 HydrophobicContact CD2-CG 4.05Å; L986-L1038 HydrophobicContact CB-CB 4.36Å; L986-L1038 HydrophobicContact CB-CD1 4.09Å; L986-L1038 HydrophobicContact CD1-CB 4.41Å; L986-L1038 HydrophobicContact CD1-CD1 4.36Å; L986-V1041 HydrophobicContact CD1-CB 4.04Å; L986-V1041 HydrophobicContact CD1-CG1 4.39Å; L986-V1041 HydrophobicContact CD1-CG2 3.77Å |
| 987 | E | 91.6 | Very high | 87.8 | Confident | 48 Ų | 48 | 71.6 Ų | 71.6 | 22% | 0.224 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.7 | -37.2 | 172.8 | -67.8 | 176.3 | -160.2 | 0 | 0 | 112.2 | K983 R991 L1038 | K983-E987 IonicContact NZ-OE1 3.63Å; K983-E987 PolarHBondContact NZ-OE1 3.33Å; K983-E987 WeakPolarHBondContact O-CG 3.25Å; K983-E987 PolarHBondContact O-N 3.16Å; E987-R991 WeakPolarHBondContact O-CB 3.07Å; E987-R991 VanDerWaalsContact O-CG 3.29Å; E987-R991 WeakPolarHBondContact O-CG 3.49Å; E987-R991 PolarHBondContact O-N 3.44Å; E987-R991 PolarHBondContact O-NE 3.46Å; E987-R991 VanDerWaalsContact O-NE 3.14Å; E987-R991 IonicContact OE2-CZ 3.25Å; E987-R991 VanDerWaalsContact OE2-CZ 3.27Å; E987-R991 IonicContact OE2-NH1 2.74Å; E987-R991 PolarHBondContact OE2-NH1 3.41Å; E987-R991 IonicContact OE2-NH2 3.31Å; E987-R991 PolarHBondContact OE2-NH2 3.5Å; E987-L1038 HydrophobicContact CG-CD2 4.2Å |
| 988 | K | 91.7 | Very high | 88.9 | Confident | 80 Ų | 80 | 69.1 Ų | 69.1 | 35% | 0.348 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68 | -34.4 | 175.9 | -177.5 | -175.6 | 176.1 | -171.7 | 0 | 111.6 | Q984 I985 L986 N992 | Q984-K988 WeakPolarHBondContact O-CB 3.32Å; Q984-K988 PolarHBondContact O-N 3.25Å; Q984-K988 VanDerWaalsContact O-N 3.14Å; I985-K988 WeakPolarHBondContact O-CB 3.31Å; I985-K988 PolarHBondContact O-N 2.88Å; L986-K988 PolarHBondContact O-N 3.06Å; K988-N992 WeakPolarHBondContact O-CB 3.43Å; K988-N992 PolarHBondContact O-N 3.1Å; K988-N992 PolarHBondContact O-ND2 2.96Å |
| 989 | K | 92 | Very high | 89.6 | Confident | 79 Ų | 79 | 73.9 Ų | 73.9 | 34% | 0.343 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.1 | -49.5 | 173.7 | -156.6 | 75.6 | 159.1 | -169 | 0 | 110.7 | D539 I985 L986 N992 L993 | D539-K989 VanDerWaalsContact CG-NZ 3.28Å; D539-K989 IonicContact OD1-NZ 3.33Å; D539-K989 PolarHBondContact OD1-NZ 2.74Å; D539-K989 IonicContact OD2-NZ 2.88Å; D539-K989 PolarHBondContact OD2-NZ 3.02Å; I985-K989 PolarHBondContact O-N 3.42Å; L986-K989 WeakPolarHBondContact O-CA 3.44Å; L986-K989 WeakPolarHBondContact O-CB 3.16Å; L986-K989 PolarHBondContact O-N 3.21Å; K989-N992 WeakPolarHBondContact O-CB 3.41Å; K989-N992 PolarHBondContact O-N 3.44Å; K989-N992 VanDerWaalsContact O-N 3.08Å; K989-L993 HydrophobicContact CG-CD1 4.39Å; K989-L993 WeakPolarHBondContact O-CG 3.26Å; K989-L993 PolarHBondContact O-N 3.26Å |
| 990 | I | 92.9 | Very high | 90.1 | Very high | 14 Ų | 14 | 74.4 Ų | 74.4 | 7% | 0.072 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -56 | -54.5 | 177 | -65 | 165.2 | 0 | 0 | 0 | 110.6 | L986 N992 L993 E994 R1035 L1038 | L986-I990 WeakPolarHBondContact O-CG1 3.25Å; L986-I990 PolarHBondContact O-N 3.18Å; I990-N992 PolarHBondContact O-N 3.5Å; I990-L993 PolarHBondContact O-N 2.81Å; I990-E994 HydrophobicContact CG2-CG 4.27Å; I990-E994 WeakPolarHBondContact CG2-OE1 3.33Å; I990-E994 WeakPolarHBondContact O-CG 3.5Å; I990-E994 PolarHBondContact O-N 3.12Å; I990-R1035 HydrophobicContact CD1-CG 4.04Å; I990-R1035 HydrophobicContact CG1-CG 4.29Å; I990-R1035 HydrophobicContact CG2-CG 4.29Å; I990-L1038 HydrophobicContact CD1-CB 4.02Å; I990-L1038 HydrophobicContact CD1-CD2 3.56Å; I990-L1038 HydrophobicContact CD1-CG 4.44Å |
| 991 | R | 91.8 | Very high | 90.5 | Very high | 111 Ų | 111 | 74.2 Ų | 74.2 | 42% | 0.419 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.7 | -19 | 178.2 | -70.9 | 179.4 | -67.8 | -126.2 | 0.6 | 114.4 | E987 K995 | E987-R991 WeakPolarHBondContact O-CB 3.07Å; E987-R991 VanDerWaalsContact O-CG 3.29Å; E987-R991 WeakPolarHBondContact O-CG 3.49Å; E987-R991 PolarHBondContact O-N 3.44Å; E987-R991 PolarHBondContact O-NE 3.46Å; E987-R991 VanDerWaalsContact O-NE 3.14Å; E987-R991 IonicContact OE2-CZ 3.25Å; E987-R991 VanDerWaalsContact OE2-CZ 3.27Å; E987-R991 IonicContact OE2-NH1 2.74Å; E987-R991 PolarHBondContact OE2-NH1 3.41Å; E987-R991 IonicContact OE2-NH2 3.31Å; E987-R991 PolarHBondContact OE2-NH2 3.5Å; R991-K995 VanDerWaalsContact O-CD 3.24Å; R991-K995 WeakPolarHBondContact O-CD 3.47Å; R991-K995 VanDerWaalsContact O-CG 3.27Å; R991-K995 WeakPolarHBondContact O-CG 3.26Å |
| 992 | N | 92.4 | Very high | 90.8 | Very high | 78 Ų | 78 | 74.3 Ų | 74.3 | 42% | 0.417 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -88.3 | -38.5 | 173.8 | -77.1 | -18.3 | 0 | 0 | 0 | 112.1 | K988 K989 I990 K995 R996 | K988-N992 WeakPolarHBondContact O-CB 3.43Å; K988-N992 PolarHBondContact O-N 3.1Å; K988-N992 PolarHBondContact O-ND2 2.96Å; K989-N992 WeakPolarHBondContact O-CB 3.41Å; K989-N992 PolarHBondContact O-N 3.44Å; K989-N992 VanDerWaalsContact O-N 3.08Å; I990-N992 PolarHBondContact O-N 3.5Å; N992-K995 PolarHBondContact O-N 3.45Å; N992-R996 PolarHBondContact O-N 3.35Å |
| 993 | L | 92.8 | Very high | 90.9 | Very high | 15 Ų | 15 | 72.5 Ų | 72.5 | 8% | 0.079 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.3 | -42.4 | 175 | -69.7 | 171 | 0 | 0 | 0 | 111.2 | K989 I990 K995 R996 R997 V1027 Q1030 L1031 S1034 | K989-L993 HydrophobicContact CG-CD1 4.39Å; K989-L993 WeakPolarHBondContact O-CG 3.26Å; K989-L993 PolarHBondContact O-N 3.26Å; I990-L993 PolarHBondContact O-N 2.81Å; L993-K995 VanDerWaalsContact C-N 3.3Å; L993-K995 PolarHBondContact O-N 2.98Å; L993-R996 CarbonylContact O-C 3.55Å; L993-R996 WeakPolarHBondContact O-CA 3.15Å; L993-R996 WeakPolarHBondContact O-CB 3.31Å; L993-R996 PolarHBondContact O-N 2.93Å; L993-R997 WeakPolarHBondContact O-CB 3.49Å; L993-R997 PolarHBondContact O-N 3.19Å; L993-V1027 HydrophobicContact CD2-CG1 4.41Å; L993-Q1030 HydrophobicContact CD1-CB 4.06Å; L993-Q1030 WeakPolarHBondContact CD1-O 3.49Å; L993-Q1030 HydrophobicContact CD2-CB 4.28Å; L993-L1031 HydrophobicContact CB-CB 4.11Å; L993-L1031 HydrophobicContact CB-CD1 4.29Å; L993-L1031 HydrophobicContact CB-CG 4.41Å; L993-L1031 HydrophobicContact CD1-CB 4.32Å; L993-S1034 WeakPolarHBondContact CD1-OG 3.15Å |
| 994 | E | 93.3 | Very high | 90.9 | Very high | 68 Ų | 68 | 72.6 Ų | 72.6 | 32% | 0.318 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.3 | -42.4 | 173.6 | -71.3 | 166.5 | 159.7 | 0 | 0 | 111.6 | I990 R996 R997 A998 L1031 R1035 | I990-E994 HydrophobicContact CG2-CG 4.27Å; I990-E994 WeakPolarHBondContact CG2-OE1 3.33Å; I990-E994 WeakPolarHBondContact O-CG 3.5Å; I990-E994 PolarHBondContact O-N 3.12Å; E994-R996 VanDerWaalsContact C-N 3.3Å; E994-R996 PolarHBondContact O-N 2.9Å; E994-R997 PolarHBondContact O-N 2.83Å; E994-A998 WeakPolarHBondContact O-CB 3.49Å; E994-A998 PolarHBondContact O-N 3.48Å; E994-L1031 HydrophobicContact CB-CD1 4.47Å; E994-L1031 HydrophobicContact CG-CD1 3.7Å; E994-L1031 HydrophobicContact CG-CG 4.38Å; E994-R1035 IonicContact OE1-CZ 3.35Å; E994-R1035 IonicContact OE1-NE 3.98Å; E994-R1035 IonicContact OE1-NH2 2.65Å; E994-R1035 PolarHBondContact OE1-NH2 2.74Å |
| 995 | K | 93 | Very high | 91 | Very high | 135 Ų | 135 | 70.1 Ų | 70.1 | 59% | 0.587 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -71.5 | -20.2 | 174.5 | -72.4 | 173.4 | -171 | 167.4 | 0 | 114.1 | R991 N992 L993 K999 | R991-K995 VanDerWaalsContact O-CD 3.24Å; R991-K995 WeakPolarHBondContact O-CD 3.47Å; R991-K995 VanDerWaalsContact O-CG 3.27Å; R991-K995 WeakPolarHBondContact O-CG 3.26Å; N992-K995 PolarHBondContact O-N 3.45Å; L993-K995 VanDerWaalsContact C-N 3.3Å; L993-K995 PolarHBondContact O-N 2.98Å; K995-K999 WeakPolarHBondContact O-CD 3.47Å; K995-K999 WeakPolarHBondContact O-CG 3.3Å |
| 996 | R | 90.7 | Very high | 90.9 | Very high | 124 Ų | 124 | 71.4 Ų | 71.4 | 47% | 0.468 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -80.1 | -48.4 | 171.3 | -170.2 | 176.4 | -175.4 | 177.8 | 0.4 | 109.8 | N992 L993 E994 A998 K999 L1000 V1027 | N992-R996 PolarHBondContact O-N 3.35Å; L993-R996 CarbonylContact O-C 3.55Å; L993-R996 WeakPolarHBondContact O-CA 3.15Å; L993-R996 WeakPolarHBondContact O-CB 3.31Å; L993-R996 PolarHBondContact O-N 2.93Å; E994-R996 VanDerWaalsContact C-N 3.3Å; E994-R996 PolarHBondContact O-N 2.9Å; R996-A998 PolarHBondContact O-N 3.07Å; R996-K999 PolarHBondContact O-N 2.83Å; R996-L1000 HydrophobicContact CG-CD1 4.21Å; R996-L1000 WeakPolarHBondContact O-CG 3.03Å; R996-L1000 PolarHBondContact O-N 2.97Å; R996-V1027 HydrophobicContact CB-CG1 4.29Å; R996-V1027 HydrophobicContact CG-CG1 4.41Å; R996-V1027 HydrophobicContact CG-CG2 4.26Å |
| 997 | R | 90.6 | Very high | 90.7 | Very high | 99 Ų | 99 | 73.8 Ų | 73.8 | 37% | 0.374 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -51.4 | -55.8 | 173.9 | -174.8 | -172.1 | -157.9 | -108.4 | -3.9 | 111.5 | L993 E994 K999 L1000 I1001 V1027 D1028 L1031 | L993-R997 WeakPolarHBondContact O-CB 3.49Å; L993-R997 PolarHBondContact O-N 3.19Å; E994-R997 PolarHBondContact O-N 2.83Å; R997-K999 VanDerWaalsContact C-N 3.26Å; R997-K999 PolarHBondContact O-N 3.42Å; R997-L1000 PolarHBondContact O-N 2.78Å; R997-I1001 HydrophobicContact CG-CD1 3.75Å; R997-I1001 HydrophobicContact CG-CG1 4.35Å; R997-I1001 WeakPolarHBondContact O-CG1 3.44Å; R997-I1001 PolarHBondContact O-N 3.47Å; R997-V1027 HydrophobicContact CB-CG1 4.16Å; R997-D1028 WeakPolarHBondContact CD-OD1 3.2Å; R997-D1028 VanDerWaalsContact CG-OD1 3.27Å; R997-D1028 WeakPolarHBondContact CG-OD1 3.23Å; R997-D1028 IonicContact CZ-OD1 3.48Å; R997-D1028 IonicContact CZ-OD2 3.83Å; R997-D1028 VanDerWaalsContact CZ-OD2 3.31Å; R997-D1028 IonicContact NE-OD1 3.26Å; R997-D1028 PolarHBondContact NE-OD1 3.4Å; R997-D1028 IonicContact NE-OD2 3.28Å; R997-D1028 PolarHBondContact NE-OD2 3.25Å; R997-D1028 IonicContact NH2-OD1 3.52Å; R997-D1028 IonicContact NH2-OD2 2.6Å; R997-D1028 PolarHBondContact NH2-OD2 2.87Å; R997-L1031 HydrophobicContact CB-CD1 4.49Å |
| 998 | A | 91.1 | Very high | 90.5 | Very high | 60 Ų | 60 | 77.5 Ų | 77.5 | 50% | 0.496 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -56 | -39.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E994 R996 Q1002 | E994-A998 WeakPolarHBondContact O-CB 3.49Å; E994-A998 PolarHBondContact O-N 3.48Å; R996-A998 PolarHBondContact O-N 3.07Å; A998-Q1002 WeakPolarHBondContact O-CB 3.43Å; A998-Q1002 PolarHBondContact O-N 3.18Å |
| 999 | K | 90.5 | Very high | 90.3 | Very high | 139 Ų | 139 | 80.2 Ų | 80.2 | 60% | 0.604 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -69.2 | -39.7 | 175.2 | -71.3 | 175.5 | -179 | -177.4 | 0 | 113.1 | K995 R996 R997 Q1002 V1003 | K995-K999 WeakPolarHBondContact O-CD 3.47Å; K995-K999 WeakPolarHBondContact O-CG 3.3Å; R996-K999 PolarHBondContact O-N 2.83Å; R997-K999 VanDerWaalsContact C-N 3.26Å; R997-K999 PolarHBondContact O-N 3.42Å; K999-Q1002 PolarHBondContact O-N 3.42Å; K999-V1003 WeakPolarHBondContact O-CB 3.43Å; K999-V1003 VanDerWaalsContact O-CG2 3.25Å; K999-V1003 WeakPolarHBondContact O-CG2 3.18Å; K999-V1003 PolarHBondContact O-N 2.84Å |
| 1000 | L | 90.8 | Very high | 89.8 | Confident | 20 Ų | 20 | 79.6 Ų | 79.6 | 11% | 0.105 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -71 | -34.1 | 178.3 | -64.1 | 176.4 | 0 | 0 | 0 | 111.6 | R996 R997 V1003 K1004 A1020 V1024 V1027 | R996-L1000 HydrophobicContact CG-CD1 4.21Å; R996-L1000 WeakPolarHBondContact O-CG 3.03Å; R996-L1000 PolarHBondContact O-N 2.97Å; R997-L1000 PolarHBondContact O-N 2.78Å; L1000-V1003 PolarHBondContact O-N 3.45Å; L1000-K1004 WeakPolarHBondContact O-CB 3.2Å; L1000-K1004 PolarHBondContact O-N 3.49Å; L1000-A1020 HydrophobicContact CD2-CB 3.67Å; L1000-V1024 HydrophobicContact CB-CG2 3.49Å; L1000-V1024 VanDerWaalsContact CB-CG2 3.49Å; L1000-V1024 HydrophobicContact CD1-CG2 4.05Å; L1000-V1024 HydrophobicContact CG-CG2 4.38Å; L1000-V1027 HydrophobicContact CD1-CG2 4Å |
| 1001 | I | 90.2 | Very high | 89.3 | Confident | 53 Ų | 53 | 84.4 Ų | 84.4 | 27% | 0.272 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.6 | -48.5 | 169.9 | -67.4 | 174 | 0 | 0 | 0 | 110.2 | R997 V1003 K1004 E1005 | R997-I1001 HydrophobicContact CG-CD1 3.75Å; R997-I1001 HydrophobicContact CG-CG1 4.35Å; R997-I1001 WeakPolarHBondContact O-CG1 3.44Å; R997-I1001 PolarHBondContact O-N 3.47Å; I1001-V1003 VanDerWaalsContact C-N 3.28Å; I1001-V1003 PolarHBondContact O-N 3.49Å; I1001-K1004 CarbonylContact O-C 3.5Å; I1001-K1004 WeakPolarHBondContact O-CA 3.38Å; I1001-K1004 WeakPolarHBondContact O-CB 3.46Å; I1001-K1004 PolarHBondContact O-N 3.37Å; I1001-E1005 PolarHBondContact O-N 2.78Å |
| 1002 | Q | 89.9 | Confident | 88.8 | Confident | 114 Ų | 114 | 88.7 Ų | 88.7 | 53% | 0.533 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -55.4 | -43.5 | 175.9 | -176.3 | 178.1 | 21.2 | 0 | 0 | 112.1 | A998 K999 E1005 E1006 | A998-Q1002 WeakPolarHBondContact O-CB 3.43Å; A998-Q1002 PolarHBondContact O-N 3.18Å; K999-Q1002 PolarHBondContact O-N 3.42Å; Q1002-E1005 PolarHBondContact O-N 3.39Å; Q1002-E1006 WeakPolarHBondContact O-CG 3.29Å; Q1002-E1006 PolarHBondContact O-N 2.67Å |
| 1003 | V | 88.2 | Confident | 88.2 | Confident | 25 Ų | 25 | 85.9 Ų | 85.9 | 15% | 0.152 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -73.3 | -30.1 | 178.3 | 178.4 | 0 | 0 | 0 | 0 | 111.7 | K999 L1000 I1001 E1006 M1007 I1013 Q1017 I1021 | K999-V1003 WeakPolarHBondContact O-CB 3.43Å; K999-V1003 VanDerWaalsContact O-CG2 3.25Å; K999-V1003 WeakPolarHBondContact O-CG2 3.18Å; K999-V1003 PolarHBondContact O-N 2.84Å; L1000-V1003 PolarHBondContact O-N 3.45Å; I1001-V1003 VanDerWaalsContact C-N 3.28Å; I1001-V1003 PolarHBondContact O-N 3.49Å; V1003-E1006 PolarHBondContact O-N 2.88Å; V1003-M1007 PolarHBondContact O-N 2.81Å; V1003-I1013 HydrophobicContact CG1-CD1 4.05Å; V1003-I1013 HydrophobicContact CG1-CG2 4.09Å; V1003-I1013 WeakPolarHBondContact O-CD1 3.16Å; V1003-Q1017 HydrophobicContact CG1-CB 3.98Å; V1003-Q1017 HydrophobicContact CG1-CG 4.42Å; V1003-I1021 HydrophobicContact CG1-CD1 4.06Å; V1003-I1021 HydrophobicContact CG1-CG1 4.3Å |
| 1004 | K | 87.9 | Confident | 87.8 | Confident | 82 Ų | 82 | 90 Ų | 90 | 36% | 0.357 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.1 | -45 | 170 | -178.8 | 176.5 | 178.7 | -71.7 | 0 | 111.7 | L1000 I1001 E1006 M1007 E1008 I1021 | L1000-K1004 WeakPolarHBondContact O-CB 3.2Å; L1000-K1004 PolarHBondContact O-N 3.49Å; I1001-K1004 CarbonylContact O-C 3.5Å; I1001-K1004 WeakPolarHBondContact O-CA 3.38Å; I1001-K1004 WeakPolarHBondContact O-CB 3.46Å; I1001-K1004 PolarHBondContact O-N 3.37Å; K1004-E1006 VanDerWaalsContact C-N 3.31Å; K1004-E1006 PolarHBondContact O-N 3.42Å; K1004-M1007 WeakPolarHBondContact O-CA 3.46Å; K1004-M1007 VanDerWaalsContact O-CB 3.28Å; K1004-M1007 WeakPolarHBondContact O-CB 3.16Å; K1004-M1007 PolarHBondContact O-N 2.79Å; K1004-M1007 VanDerWaalsContact O-N 3.09Å; K1004-E1008 WeakPolarHBondContact CE-OE1 3.32Å; K1004-E1008 IonicContact NZ-OE1 2.61Å; K1004-E1008 PolarHBondContact NZ-OE1 3.47Å; K1004-E1008 IonicContact NZ-OE2 3.88Å; K1004-E1008 WeakPolarHBondContact O-CG 3.47Å; K1004-E1008 PolarHBondContact O-N 3.29Å; K1004-I1021 HydrophobicContact CB-CD1 4.34Å; K1004-I1021 HydrophobicContact CB-CG1 4.26Å; K1004-I1021 HydrophobicContact CB-CG2 3.93Å; K1004-I1021 HydrophobicContact CD-CG2 4.08Å; K1004-I1021 HydrophobicContact CG-CG2 4.01Å |
| 1005 | E | 89.7 | Confident | 87.3 | Confident | 79 Ų | 79 | 90.7 Ų | 90.7 | 37% | 0.369 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.8 | -39.6 | 172.9 | -74.7 | -179.7 | -130.4 | 0 | 0 | 111.9 | I1001 Q1002 M1007 E1008 K1009 | I1001-E1005 PolarHBondContact O-N 2.78Å; Q1002-E1005 PolarHBondContact O-N 3.39Å; E1005-M1007 VanDerWaalsContact C-N 3.25Å; E1005-M1007 PolarHBondContact O-N 3.28Å; E1005-E1008 PolarHBondContact O-N 3.25Å; E1005-K1009 VanDerWaalsContact O-CB 3.29Å; E1005-K1009 WeakPolarHBondContact O-CB 3.2Å; E1005-K1009 VanDerWaalsContact O-CD 3.29Å; E1005-K1009 WeakPolarHBondContact O-CD 3.43Å; E1005-K1009 WeakPolarHBondContact O-CG 3.47Å; E1005-K1009 PolarHBondContact O-N 3.15Å; E1005-K1009 IonicContact OE2-NZ 2.64Å; E1005-K1009 PolarHBondContact OE2-NZ 2.99Å |
| 1006 | E | 87.8 | Confident | 86.9 | Confident | 55 Ų | 55 | 91 Ų | 91 | 26% | 0.257 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.7 | -29.8 | 175.1 | -75.4 | -171.2 | 130.3 | 0 | 0 | 112.3 | Q1002 V1003 K1004 G1010 K1011 I1013 | Q1002-E1006 WeakPolarHBondContact O-CG 3.29Å; Q1002-E1006 PolarHBondContact O-N 2.67Å; V1003-E1006 PolarHBondContact O-N 2.88Å; K1004-E1006 VanDerWaalsContact C-N 3.31Å; K1004-E1006 PolarHBondContact O-N 3.42Å; E1006-G1010 PolarHBondContact O-N 3.06Å; E1006-K1011 HydrophobicContact CB-CD 4.06Å; E1006-K1011 HydrophobicContact CB-CG 4.46Å; E1006-K1011 HydrophobicContact CG-CD 4.04Å; E1006-K1011 WeakPolarHBondContact O-CB 3.3Å; E1006-K1011 PolarHBondContact O-N 3.33Å; E1006-K1011 IonicContact OE1-NZ 2.67Å; E1006-K1011 PolarHBondContact OE1-NZ 3.3Å; E1006-I1013 HydrophobicContact CB-CD1 3.84Å |
| 1007 | M | 85.4 | Confident | 86.7 | Confident | 72 Ų | 72 | 89 Ų | 89 | 36% | 0.355 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -70.8 | -42.6 | 172.7 | -163.3 | 174.9 | 65.8 | 0 | 0 | 111.7 | V1003 K1004 E1005 K1009 G1010 I1013 K1018 I1021 | V1003-M1007 PolarHBondContact O-N 2.81Å; K1004-M1007 WeakPolarHBondContact O-CA 3.46Å; K1004-M1007 VanDerWaalsContact O-CB 3.28Å; K1004-M1007 WeakPolarHBondContact O-CB 3.16Å; K1004-M1007 PolarHBondContact O-N 2.79Å; K1004-M1007 VanDerWaalsContact O-N 3.09Å; E1005-M1007 VanDerWaalsContact C-N 3.25Å; E1005-M1007 PolarHBondContact O-N 3.28Å; M1007-K1009 VanDerWaalsContact C-N 3.3Å; M1007-G1010 PolarHBondContact O-N 2.92Å; M1007-I1013 HydrophobicContact CB-CD1 3.71Å; M1007-I1013 HydrophobicContact CG-CD1 4.4Å; M1007-I1013 VanDerWaalsContact N-CD1 3.26Å; M1007-K1018 HydrophobicContact SD-CD 4.21Å; M1007-K1018 HydrophobicContact SD-CG 4.11Å; M1007-I1021 HydrophobicContact CB-CD1 4.32Å; M1007-I1021 HydrophobicContact CE-CD1 4.09Å; M1007-I1021 HydrophobicContact SD-CD1 3.86Å |
| 1008 | E | 87.1 | Confident | 86.5 | Confident | 125 Ų | 125 | 88.8 Ų | 88.8 | 58% | 0.584 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -68.4 | -30.2 | 176.2 | -71.3 | 164 | 177 | 0 | 0 | 112 | K1004 E1005 G1010 | K1004-E1008 WeakPolarHBondContact CE-OE1 3.32Å; K1004-E1008 IonicContact NZ-OE1 2.61Å; K1004-E1008 PolarHBondContact NZ-OE1 3.47Å; K1004-E1008 IonicContact NZ-OE2 3.88Å; K1004-E1008 WeakPolarHBondContact O-CG 3.47Å; K1004-E1008 PolarHBondContact O-N 3.29Å; E1005-E1008 PolarHBondContact O-N 3.25Å; E1008-G1010 PolarHBondContact O-N 3.42Å |
| 1009 | K | 88.6 | Confident | 86.2 | Confident | 137 Ų | 137 | 92.4 Ų | 92.4 | 60% | 0.596 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | 10.5 | 170.1 | -66.3 | 160.2 | -166.5 | 168.5 | 0 | 113.1 | E1005 M1007 K1011 | E1005-K1009 VanDerWaalsContact O-CB 3.29Å; E1005-K1009 WeakPolarHBondContact O-CB 3.2Å; E1005-K1009 VanDerWaalsContact O-CD 3.29Å; E1005-K1009 WeakPolarHBondContact O-CD 3.43Å; E1005-K1009 WeakPolarHBondContact O-CG 3.47Å; E1005-K1009 PolarHBondContact O-N 3.15Å; E1005-K1009 IonicContact OE2-NZ 2.64Å; E1005-K1009 PolarHBondContact OE2-NZ 2.99Å; M1007-K1009 VanDerWaalsContact C-N 3.3Å; K1009-K1011 PolarHBondContact O-N 3Å |
| 1010 | G | 81.9 | Confident | 86 | Confident | 66 Ų | 66 | 87.1 Ų | 87.1 | 68% | 0.68 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.4 | 14.8 | 171 | 0 | 0 | 0 | 0 | 0 | 116.1 | E1006 M1007 E1008 | E1006-G1010 PolarHBondContact O-N 3.06Å; M1007-G1010 PolarHBondContact O-N 2.92Å; E1008-G1010 PolarHBondContact O-N 3.42Å |
| 1011 | K | 82.5 | Confident | 85.8 | Confident | 116 Ų | 116 | 87.2 Ų | 87.2 | 50% | 0.504 | 43% | 0.433 | S | S | . | . | | | trans | -72.4 | 141.3 | 175.4 | -59.7 | -167.8 | -173.3 | -179.8 | 0 | 111 | E1006 K1009 I1013 | E1006-K1011 HydrophobicContact CB-CD 4.06Å; E1006-K1011 HydrophobicContact CB-CG 4.46Å; E1006-K1011 HydrophobicContact CG-CD 4.04Å; E1006-K1011 WeakPolarHBondContact O-CB 3.3Å; E1006-K1011 PolarHBondContact O-N 3.33Å; E1006-K1011 IonicContact OE1-NZ 2.67Å; E1006-K1011 PolarHBondContact OE1-NZ 3.3Å; K1009-K1011 PolarHBondContact O-N 3Å; K1011-I1013 PolarHBondContact O-N 3.32Å |
| 1012 | E | 79.9 | Confident | 85.6 | Confident | 201 Ų | 201 | 91.3 Ų | 91.3 | 94% | 0.939 | 45% | 0.451 | S | S | * | . | | | trans | -65.7 | 120.7 | 168.5 | -67.7 | -164.3 | 157.5 | 0 | 0 | 110.4 | | |
| 1013 | I | 80.4 | Confident | 85.4 | Confident | 19 Ų | 19 | 92.6 Ų | 92.6 | 10% | 0.097 | 45% | 0.451 | C | S | . | . | | | trans | -124.1 | 134 | -172.7 | -79.2 | 173.6 | 0 | 0 | 0 | 109.3 | V1003 E1006 M1007 K1011 Q1017 K1018 | V1003-I1013 HydrophobicContact CG1-CD1 4.05Å; V1003-I1013 HydrophobicContact CG1-CG2 4.09Å; V1003-I1013 WeakPolarHBondContact O-CD1 3.16Å; E1006-I1013 HydrophobicContact CB-CD1 3.84Å; M1007-I1013 HydrophobicContact CB-CD1 3.71Å; M1007-I1013 HydrophobicContact CG-CD1 4.4Å; M1007-I1013 VanDerWaalsContact N-CD1 3.26Å; K1011-I1013 PolarHBondContact O-N 3.32Å; I1013-Q1017 HydrophobicContact CG2-CB 3.42Å; I1013-Q1017 VanDerWaalsContact CG2-CB 3.42Å; I1013-Q1017 HydrophobicContact CG2-CG 4.42Å; I1013-K1018 HydrophobicContact CG2-CG 3.9Å; I1013-K1018 WeakPolarHBondContact O-CE 2.9Å |
| 1014 | H | 83.6 | Confident | 85.4 | Confident | 100 Ų | 100 | 92.5 Ų | 92.5 | 46% | 0.463 | 45% | 0.451 | S | S | . | . | | | trans | -57.3 | 141.8 | -174.5 | -164.2 | -117.4 | 0 | 0 | 0 | 110.8 | E1016 Q1017 K1018 | H1014-E1016 IonicContact CE1-OE2 3.93Å; H1014-E1016 PolarHBondContact CE1-OE2 2.98Å; H1014-E1016 VanDerWaalsContact CE1-OE2 3.27Å; H1014-E1016 IonicContact ND1-OE2 2.67Å; H1014-E1016 PolarHBondContact ND1-OE2 3.12Å; H1014-E1016 PolarHBondContact O-N 3.49Å; H1014-E1016 VanDerWaalsContact O-N 3.09Å; H1014-Q1017 HydrophobicContact CB-CB 4.39Å; H1014-Q1017 HydrophobicContact CB-CG 4.12Å; H1014-Q1017 VanDerWaalsContact CB-OE1 3.23Å; H1014-Q1017 WeakPolarHBondContact O-CA 3.17Å; H1014-Q1017 VanDerWaalsContact O-CB 3.31Å; H1014-Q1017 WeakPolarHBondContact O-CB 3.28Å; H1014-Q1017 PolarHBondContact O-N 3.39Å; H1014-K1018 PolarHBondContact O-N 2.77Å; H1014-K1018 VanDerWaalsContact O-N 3.1Å |
| 1015 | P | 83.7 | Confident | 85.4 | Confident | 84 Ų | 84 | 92.1 Ų | 92.1 | 55% | 0.545 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -56.6 | -29.9 | -179.3 | 19.4 | -33.1 | 0 | 0 | 0 | 113.8 | K1018 K1019 | P1015-K1018 PolarHBondContact O-N 2.77Å; P1015-K1019 WeakPolarHBondContact O-CG 3.46Å; P1015-K1019 PolarHBondContact O-N 3.47Å |
| 1016 | E | 85 | Confident | 85.5 | Confident | 140 Ų | 140 | 92 Ų | 92 | 65% | 0.654 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -68.4 | -33.2 | 172.6 | -60.9 | 179.5 | 146 | 0 | 0 | 113.2 | H1014 A1020 | H1014-E1016 IonicContact CE1-OE2 3.93Å; H1014-E1016 PolarHBondContact CE1-OE2 2.98Å; H1014-E1016 VanDerWaalsContact CE1-OE2 3.27Å; H1014-E1016 IonicContact ND1-OE2 2.67Å; H1014-E1016 PolarHBondContact ND1-OE2 3.12Å; H1014-E1016 PolarHBondContact O-N 3.49Å; H1014-E1016 VanDerWaalsContact O-N 3.09Å; E1016-A1020 WeakPolarHBondContact O-CB 3.27Å; E1016-A1020 PolarHBondContact O-N 2.86Å |
| 1017 | Q | 86 | Confident | 85.6 | Confident | 82 Ų | 82 | 89.3 Ų | 89.3 | 38% | 0.383 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -70.9 | -39.2 | 175.4 | -72.3 | 170.9 | -49.1 | 0 | 0 | 110.6 | V1003 I1013 H1014 A1020 I1021 | V1003-Q1017 HydrophobicContact CG1-CB 3.98Å; V1003-Q1017 HydrophobicContact CG1-CG 4.42Å; I1013-Q1017 HydrophobicContact CG2-CB 3.42Å; I1013-Q1017 VanDerWaalsContact CG2-CB 3.42Å; I1013-Q1017 HydrophobicContact CG2-CG 4.42Å; H1014-Q1017 HydrophobicContact CB-CB 4.39Å; H1014-Q1017 HydrophobicContact CB-CG 4.12Å; H1014-Q1017 VanDerWaalsContact CB-OE1 3.23Å; H1014-Q1017 WeakPolarHBondContact O-CA 3.17Å; H1014-Q1017 VanDerWaalsContact O-CB 3.31Å; H1014-Q1017 WeakPolarHBondContact O-CB 3.28Å; H1014-Q1017 PolarHBondContact O-N 3.39Å; Q1017-A1020 WeakPolarHBondContact O-CA 3.19Å; Q1017-A1020 WeakPolarHBondContact O-CB 3.39Å; Q1017-A1020 PolarHBondContact O-N 3.06Å; Q1017-I1021 WeakPolarHBondContact O-CG1 3.02Å; Q1017-I1021 PolarHBondContact O-N 3Å |
| 1018 | K | 85.7 | Confident | 85.8 | Confident | 96 Ų | 96 | 87.8 Ų | 87.8 | 42% | 0.417 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60 | -48.5 | 172 | -61.4 | -166.6 | 178.5 | -174.7 | 0 | 111.4 | M1007 I1013 H1014 P1015 A1020 I1021 E1022 | M1007-K1018 HydrophobicContact SD-CD 4.21Å; M1007-K1018 HydrophobicContact SD-CG 4.11Å; I1013-K1018 HydrophobicContact CG2-CG 3.9Å; I1013-K1018 WeakPolarHBondContact O-CE 2.9Å; H1014-K1018 PolarHBondContact O-N 2.77Å; H1014-K1018 VanDerWaalsContact O-N 3.1Å; P1015-K1018 PolarHBondContact O-N 2.77Å; K1018-A1020 PolarHBondContact O-N 2.93Å; K1018-A1020 VanDerWaalsContact O-N 3.1Å; K1018-I1021 WeakPolarHBondContact O-CB 3.03Å; K1018-I1021 PolarHBondContact O-N 3.3Å; K1018-E1022 PolarHBondContact O-N 3.5Å |
| 1019 | K | 86.4 | Confident | 86.1 | Confident | 135 Ų | 135 | 89.6 Ų | 89.6 | 59% | 0.587 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -61.5 | -16.6 | 172.1 | -71.1 | 179.7 | 178 | -176.4 | 0 | 114.9 | P1015 | P1015-K1019 WeakPolarHBondContact O-CG 3.46Å; P1015-K1019 PolarHBondContact O-N 3.47Å |
| 1020 | A | 86 | Confident | 86.2 | Confident | 29 Ų | 29 | 86.1 Ų | 86.1 | 24% | 0.24 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -89.3 | -33.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1000 E1016 Q1017 K1018 E1022 R1023 | L1000-A1020 HydrophobicContact CD2-CB 3.67Å; E1016-A1020 WeakPolarHBondContact O-CB 3.27Å; E1016-A1020 PolarHBondContact O-N 2.86Å; Q1017-A1020 WeakPolarHBondContact O-CA 3.19Å; Q1017-A1020 WeakPolarHBondContact O-CB 3.39Å; Q1017-A1020 PolarHBondContact O-N 3.06Å; K1018-A1020 PolarHBondContact O-N 2.93Å; K1018-A1020 VanDerWaalsContact O-N 3.1Å; A1020-E1022 VanDerWaalsContact C-N 3.34Å; A1020-R1023 PolarHBondContact O-N 3.5Å |
| 1021 | I | 86.5 | Confident | 86.7 | Confident | 21 Ų | 21 | 83.6 Ų | 83.6 | 11% | 0.108 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 170.7 | -64.5 | 161.7 | 0 | 0 | 0 | 110.3 | V1003 K1004 M1007 Q1017 K1018 R1023 V1024 | V1003-I1021 HydrophobicContact CG1-CD1 4.06Å; V1003-I1021 HydrophobicContact CG1-CG1 4.3Å; K1004-I1021 HydrophobicContact CB-CD1 4.34Å; K1004-I1021 HydrophobicContact CB-CG1 4.26Å; K1004-I1021 HydrophobicContact CB-CG2 3.93Å; K1004-I1021 HydrophobicContact CD-CG2 4.08Å; K1004-I1021 HydrophobicContact CG-CG2 4.01Å; M1007-I1021 HydrophobicContact CB-CD1 4.32Å; M1007-I1021 HydrophobicContact CE-CD1 4.09Å; M1007-I1021 HydrophobicContact SD-CD1 3.86Å; Q1017-I1021 WeakPolarHBondContact O-CG1 3.02Å; Q1017-I1021 PolarHBondContact O-N 3Å; K1018-I1021 WeakPolarHBondContact O-CB 3.03Å; K1018-I1021 PolarHBondContact O-N 3.3Å; I1021-R1023 PolarHBondContact O-N 2.96Å; I1021-V1024 WeakPolarHBondContact O-CB 3.35Å; I1021-V1024 VanDerWaalsContact O-CG2 3.23Å; I1021-V1024 WeakPolarHBondContact O-CG2 3.28Å; I1021-V1024 PolarHBondContact O-N 3.46Å |
| 1022 | E | 86.1 | Confident | 87.1 | Confident | 140 Ų | 140 | 84 Ų | 84 | 65% | 0.654 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -27.2 | 174.6 | -71.7 | 161.2 | -158.5 | 0 | 0 | 112.8 | K1018 A1020 | K1018-E1022 PolarHBondContact O-N 3.5Å; A1020-E1022 VanDerWaalsContact C-N 3.34Å |
| 1023 | R | 85.5 | Confident | 87.6 | Confident | 140 Ų | 140 | 80.3 Ų | 80.3 | 53% | 0.528 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 13 | 179.3 | -61.5 | 177.7 | -175.7 | -126.6 | 6.3 | 114.3 | A1020 I1021 A1025 E1026 V1027 | A1020-R1023 PolarHBondContact O-N 3.5Å; I1021-R1023 PolarHBondContact O-N 2.96Å; R1023-A1025 VanDerWaalsContact C-N 3.27Å; R1023-A1025 PolarHBondContact O-N 3.46Å; R1023-E1026 HydrophobicContact CB-CB 4.18Å; R1023-E1026 WeakPolarHBondContact CD-OE2 3.24Å; R1023-E1026 IonicContact NH1-OE2 3.27Å; R1023-E1026 PolarHBondContact NH1-OE2 2.81Å; R1023-E1026 WeakPolarHBondContact O-CB 3.49Å; R1023-E1026 PolarHBondContact O-N 2.99Å; R1023-E1026 VanDerWaalsContact O-N 3.17Å; R1023-V1027 PolarHBondContact O-N 3.31Å; R1023-V1027 VanDerWaalsContact O-N 3.07Å |
| 1024 | V | 88.2 | Confident | 88.1 | Confident | 24 Ų | 24 | 80 Ų | 80 | 15% | 0.145 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -57.6 | -42.4 | 171.9 | 167.2 | 0 | 0 | 0 | 0 | 110.8 | L1000 I1021 E1026 V1027 D1028 | L1000-V1024 HydrophobicContact CB-CG2 3.49Å; L1000-V1024 VanDerWaalsContact CB-CG2 3.49Å; L1000-V1024 HydrophobicContact CD1-CG2 4.05Å; L1000-V1024 HydrophobicContact CG-CG2 4.38Å; I1021-V1024 WeakPolarHBondContact O-CB 3.35Å; I1021-V1024 VanDerWaalsContact O-CG2 3.23Å; I1021-V1024 WeakPolarHBondContact O-CG2 3.28Å; I1021-V1024 PolarHBondContact O-N 3.46Å; V1024-E1026 VanDerWaalsContact C-N 3.32Å; V1024-E1026 PolarHBondContact O-N 3.14Å; V1024-V1027 PolarHBondContact O-N 3.13Å; V1024-V1027 VanDerWaalsContact O-N 3.14Å; V1024-D1028 PolarHBondContact O-N 3.35Å |
| 1025 | A | 88.5 | Confident | 88.6 | Confident | 73 Ų | 73 | 80.8 Ų | 80.8 | 60% | 0.603 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -61.9 | -36.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R1023 D1028 Y1029 | R1023-A1025 VanDerWaalsContact C-N 3.27Å; R1023-A1025 PolarHBondContact O-N 3.46Å; A1025-D1028 PolarHBondContact O-N 3.02Å; A1025-Y1029 WeakPolarHBondContact O-CB 3.37Å; A1025-Y1029 PolarHBondContact O-N 2.84Å |
| 1026 | E | 89.9 | Confident | 88.9 | Confident | 76 Ų | 76 | 79.7 Ų | 79.7 | 36% | 0.355 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 174.3 | -161.5 | -154.6 | 132.2 | 0 | 0 | 111.1 | R1023 V1024 Q1030 | R1023-E1026 HydrophobicContact CB-CB 4.18Å; R1023-E1026 WeakPolarHBondContact CD-OE2 3.24Å; R1023-E1026 IonicContact NH1-OE2 3.27Å; R1023-E1026 PolarHBondContact NH1-OE2 2.81Å; R1023-E1026 WeakPolarHBondContact O-CB 3.49Å; R1023-E1026 PolarHBondContact O-N 2.99Å; R1023-E1026 VanDerWaalsContact O-N 3.17Å; V1024-E1026 VanDerWaalsContact C-N 3.32Å; V1024-E1026 PolarHBondContact O-N 3.14Å; E1026-Q1030 WeakPolarHBondContact O-CB 3.21Å; E1026-Q1030 VanDerWaalsContact O-CG 3.23Å; E1026-Q1030 WeakPolarHBondContact O-CG 3.29Å; E1026-Q1030 PolarHBondContact O-N 3.06Å; E1026-Q1030 PolarHBondContact OE1-NE2 2.78Å |
| 1027 | V | 91.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -71.4 | -38.7 | 178.4 | 173.9 | 0 | 0 | 0 | 0 | 111.7 | L993 R996 R997 L1000 R1023 V1024 Q1030 L1031 | L993-V1027 HydrophobicContact CD2-CG1 4.41Å; R996-V1027 HydrophobicContact CB-CG1 4.29Å; R996-V1027 HydrophobicContact CG-CG1 4.41Å; R996-V1027 HydrophobicContact CG-CG2 4.26Å; R997-V1027 HydrophobicContact CB-CG1 4.16Å; L1000-V1027 HydrophobicContact CD1-CG2 4Å; R1023-V1027 PolarHBondContact O-N 3.31Å; R1023-V1027 VanDerWaalsContact O-N 3.07Å; V1024-V1027 PolarHBondContact O-N 3.13Å; V1024-V1027 VanDerWaalsContact O-N 3.14Å; V1027-Q1030 PolarHBondContact O-N 2.79Å; V1027-L1031 WeakPolarHBondContact O-CB 3.13Å; V1027-L1031 PolarHBondContact O-N 2.81Å |
| 1028 | D | 90 | Very high | 89.5 | Confident | 40 Ų | 40 | 73.4 Ų | 73.4 | 21% | 0.214 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.5 | -43.5 | 178.1 | -78.7 | 9.2 | 0 | 0 | 0 | 111.1 | R997 V1024 A1025 L1031 E1032 | R997-D1028 WeakPolarHBondContact CD-OD1 3.2Å; R997-D1028 VanDerWaalsContact CG-OD1 3.27Å; R997-D1028 WeakPolarHBondContact CG-OD1 3.23Å; R997-D1028 IonicContact CZ-OD1 3.48Å; R997-D1028 IonicContact CZ-OD2 3.83Å; R997-D1028 VanDerWaalsContact CZ-OD2 3.31Å; R997-D1028 IonicContact NE-OD1 3.26Å; R997-D1028 PolarHBondContact NE-OD1 3.4Å; R997-D1028 IonicContact NE-OD2 3.28Å; R997-D1028 PolarHBondContact NE-OD2 3.25Å; R997-D1028 IonicContact NH2-OD1 3.52Å; R997-D1028 IonicContact NH2-OD2 2.6Å; R997-D1028 PolarHBondContact NH2-OD2 2.87Å; V1024-D1028 PolarHBondContact O-N 3.35Å; A1025-D1028 PolarHBondContact O-N 3.02Å; D1028-L1031 WeakPolarHBondContact O-CB 3.27Å; D1028-L1031 PolarHBondContact O-N 3.32Å; D1028-L1031 VanDerWaalsContact O-N 3.16Å; D1028-E1032 PolarHBondContact O-N 3.25Å |
| 1029 | Y | 91.9 | Very high | 89.6 | Confident | 162 Ų | 162 | 75 Ų | 75 | 64% | 0.635 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -60.1 | -45.7 | 171.8 | 178.2 | -101.1 | 0 | 0 | 0 | 112.5 | A1025 L1031 E1032 F1033 | A1025-Y1029 WeakPolarHBondContact O-CB 3.37Å; A1025-Y1029 PolarHBondContact O-N 2.84Å; Y1029-L1031 PolarHBondContact O-N 3.02Å; Y1029-E1032 PolarHBondContact O-N 3.44Å; Y1029-F1033 WeakPolarHBondContact O-CB 3.44Å; Y1029-F1033 PolarHBondContact O-N 2.83Å |
| 1030 | Q | 91.1 | Very high | 89.7 | Confident | 65 Ų | 65 | 73.5 Ų | 73.5 | 30% | 0.304 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62 | -32.5 | 175.3 | -76.7 | 170.8 | 23.6 | 0 | 0 | 112.6 | L993 E1026 V1027 S1034 | L993-Q1030 HydrophobicContact CD1-CB 4.06Å; L993-Q1030 WeakPolarHBondContact CD1-O 3.49Å; L993-Q1030 HydrophobicContact CD2-CB 4.28Å; E1026-Q1030 WeakPolarHBondContact O-CB 3.21Å; E1026-Q1030 VanDerWaalsContact O-CG 3.23Å; E1026-Q1030 WeakPolarHBondContact O-CG 3.29Å; E1026-Q1030 PolarHBondContact O-N 3.06Å; E1026-Q1030 PolarHBondContact OE1-NE2 2.78Å; V1027-Q1030 PolarHBondContact O-N 2.79Å; Q1030-S1034 VanDerWaalsContact O-CB 3.24Å; Q1030-S1034 WeakPolarHBondContact O-CB 3.3Å; Q1030-S1034 PolarHBondContact O-N 3Å; Q1030-S1034 PolarHBondContact O-OG 2.87Å |
| 1031 | L | 92.1 | Very high | 89.7 | Confident | 13 Ų | 13 | 73.3 Ų | 73.3 | 7% | 0.068 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -75.7 | -42 | -179.3 | 177.4 | 160.8 | 0 | 0 | 0 | 111.3 | L993 E994 R997 V1027 D1028 Y1029 S1034 R1035 | L993-L1031 HydrophobicContact CB-CB 4.11Å; L993-L1031 HydrophobicContact CB-CD1 4.29Å; L993-L1031 HydrophobicContact CB-CG 4.41Å; L993-L1031 HydrophobicContact CD1-CB 4.32Å; E994-L1031 HydrophobicContact CB-CD1 4.47Å; E994-L1031 HydrophobicContact CG-CD1 3.7Å; E994-L1031 HydrophobicContact CG-CG 4.38Å; R997-L1031 HydrophobicContact CB-CD1 4.49Å; V1027-L1031 WeakPolarHBondContact O-CB 3.13Å; V1027-L1031 PolarHBondContact O-N 2.81Å; D1028-L1031 WeakPolarHBondContact O-CB 3.27Å; D1028-L1031 PolarHBondContact O-N 3.32Å; D1028-L1031 VanDerWaalsContact O-N 3.16Å; Y1029-L1031 PolarHBondContact O-N 3.02Å; L1031-S1034 PolarHBondContact O-N 3.44Å; L1031-R1035 VanDerWaalsContact CD2-CZ 3.5Å; L1031-R1035 WeakPolarHBondContact O-CG 3.43Å; L1031-R1035 PolarHBondContact O-N 3.46Å |
| 1032 | E | 91.2 | Very high | 89.6 | Confident | 124 Ų | 124 | 75.6 Ų | 75.6 | 58% | 0.579 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63.8 | -51.5 | 173 | -173.5 | 158 | -124.1 | 0 | 0 | 111.1 | D1028 Y1029 S1034 R1035 D1036 | D1028-E1032 PolarHBondContact O-N 3.25Å; Y1029-E1032 PolarHBondContact O-N 3.44Å; E1032-S1034 VanDerWaalsContact C-N 3.27Å; E1032-S1034 PolarHBondContact O-N 3.47Å; E1032-R1035 WeakPolarHBondContact O-CA 3.37Å; E1032-R1035 WeakPolarHBondContact O-CB 3.29Å; E1032-R1035 PolarHBondContact O-N 2.86Å; E1032-D1036 PolarHBondContact O-N 3.32Å |
| 1033 | F | 91.6 | Very high | 89.3 | Confident | 123 Ų | 123 | 71.6 Ų | 71.6 | 54% | 0.539 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -55 | -40.8 | 172.9 | 176.7 | -99.7 | 0 | 0 | 0 | 112.6 | Y1029 R1035 D1036 L1037 | Y1029-F1033 WeakPolarHBondContact O-CB 3.44Å; Y1029-F1033 PolarHBondContact O-N 2.83Å; F1033-R1035 VanDerWaalsContact C-N 3.34Å; F1033-R1035 PolarHBondContact O-N 3.27Å; F1033-D1036 PolarHBondContact O-N 2.79Å; F1033-L1037 HydrophobicContact CE1-CD2 4.1Å; F1033-L1037 HydrophobicContact CZ-CD2 4.38Å; F1033-L1037 WeakPolarHBondContact O-CB 3.34Å; F1033-L1037 PolarHBondContact O-N 3.38Å |
| 1034 | S | 91.2 | Very high | 88.9 | Confident | 12 Ų | 12 | 68.3 Ų | 68.3 | 8% | 0.084 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.8 | -33.4 | 176.8 | -63.9 | 0 | 0 | 0 | 0 | 113 | L993 Q1030 L1031 E1032 L1038 | L993-S1034 WeakPolarHBondContact CD1-OG 3.15Å; Q1030-S1034 VanDerWaalsContact O-CB 3.24Å; Q1030-S1034 WeakPolarHBondContact O-CB 3.3Å; Q1030-S1034 PolarHBondContact O-N 3Å; Q1030-S1034 PolarHBondContact O-OG 2.87Å; L1031-S1034 PolarHBondContact O-N 3.44Å; E1032-S1034 VanDerWaalsContact C-N 3.27Å; E1032-S1034 PolarHBondContact O-N 3.47Å; S1034-L1038 WeakPolarHBondContact O-CB 3.42Å; S1034-L1038 PolarHBondContact O-N 3.37Å; S1034-L1038 VanDerWaalsContact O-N 3.1Å |
| 1035 | R | 92.1 | Very high | 88.2 | Confident | 117 Ų | 117 | 69.3 Ų | 69.3 | 44% | 0.442 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -71.8 | -42.8 | 175.9 | -75.9 | 172.7 | 175 | 179.8 | -3.4 | 111.3 | I990 E994 L1031 E1032 F1033 L1038 K1039 | I990-R1035 HydrophobicContact CD1-CG 4.04Å; I990-R1035 HydrophobicContact CG1-CG 4.29Å; I990-R1035 HydrophobicContact CG2-CG 4.29Å; E994-R1035 IonicContact OE1-CZ 3.35Å; E994-R1035 IonicContact OE1-NE 3.98Å; E994-R1035 IonicContact OE1-NH2 2.65Å; E994-R1035 PolarHBondContact OE1-NH2 2.74Å; L1031-R1035 VanDerWaalsContact CD2-CZ 3.5Å; L1031-R1035 WeakPolarHBondContact O-CG 3.43Å; L1031-R1035 PolarHBondContact O-N 3.46Å; E1032-R1035 WeakPolarHBondContact O-CA 3.37Å; E1032-R1035 WeakPolarHBondContact O-CB 3.29Å; E1032-R1035 PolarHBondContact O-N 2.86Å; F1033-R1035 VanDerWaalsContact C-N 3.34Å; F1033-R1035 PolarHBondContact O-N 3.27Å; R1035-L1038 WeakPolarHBondContact O-CB 3.35Å; R1035-L1038 PolarHBondContact O-N 3.35Å; R1035-K1039 WeakPolarHBondContact O-CG 3.44Å; R1035-K1039 PolarHBondContact O-N 2.86Å |
| 1036 | D | 91.8 | Very high | 87.3 | Confident | 61 Ų | 61 | 72.6 Ų | 72.6 | 33% | 0.326 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -71.4 | -36.6 | 178 | -72.1 | -11.9 | 0 | 0 | 0 | 112.3 | E1032 F1033 L1038 K1039 N1040 | E1032-D1036 PolarHBondContact O-N 3.32Å; F1033-D1036 PolarHBondContact O-N 2.79Å; D1036-L1038 VanDerWaalsContact C-N 3.27Å; D1036-L1038 PolarHBondContact O-N 3.34Å; D1036-K1039 WeakPolarHBondContact O-CB 3.28Å; D1036-K1039 PolarHBondContact O-N 2.78Å; D1036-K1039 WeakPolarHBondContact OD1-CD 3.19Å; D1036-K1039 WeakPolarHBondContact OD1-CE 3.26Å; D1036-K1039 IonicContact OD1-NZ 3.29Å; D1036-K1039 PolarHBondContact OD1-NZ 3.23Å; D1036-N1040 WeakPolarHBondContact O-CB 3.32Å; D1036-N1040 PolarHBondContact O-N 2.82Å; D1036-N1040 PolarHBondContact O-OD1 2.83Å |
| 1037 | L | 92 | Very high | 86.2 | Confident | 64 Ų | 64 | 73.8 Ų | 73.8 | 34% | 0.335 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.5 | -35.7 | 169 | -176.5 | 57.8 | 0 | 0 | 0 | 111.8 | L986 F1033 N1040 V1041 | L986-L1037 HydrophobicContact CD1-CG 4.1Å; L986-L1037 HydrophobicContact CD2-CD2 3.77Å; L986-L1037 HydrophobicContact CD2-CG 4.05Å; F1033-L1037 HydrophobicContact CE1-CD2 4.1Å; F1033-L1037 HydrophobicContact CZ-CD2 4.38Å; F1033-L1037 WeakPolarHBondContact O-CB 3.34Å; F1033-L1037 PolarHBondContact O-N 3.38Å; L1037-N1040 PolarHBondContact O-N 3.41Å; L1037-V1041 HydrophobicContact CD1-CG2 4.43Å; L1037-V1041 WeakPolarHBondContact O-CB 3.37Å; L1037-V1041 WeakPolarHBondContact O-CG2 3.43Å; L1037-V1041 PolarHBondContact O-N 2.8Å |
| 1038 | L | 90 | Very high | 84.7 | Confident | 26 Ų | 26 | 80.4 Ų | 80.4 | 14% | 0.136 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -68.7 | -40.6 | 172.1 | 179.7 | 61.2 | 0 | 0 | 0 | 112.3 | K983 L986 E987 I990 S1034 R1035 D1036 N1040 V1041 L1042 | K983-L1038 HydrophobicContact CG-CD1 4.2Å; L986-L1038 HydrophobicContact CB-CB 4.36Å; L986-L1038 HydrophobicContact CB-CD1 4.09Å; L986-L1038 HydrophobicContact CD1-CB 4.41Å; L986-L1038 HydrophobicContact CD1-CD1 4.36Å; E987-L1038 HydrophobicContact CG-CD2 4.2Å; I990-L1038 HydrophobicContact CD1-CB 4.02Å; I990-L1038 HydrophobicContact CD1-CD2 3.56Å; I990-L1038 HydrophobicContact CD1-CG 4.44Å; S1034-L1038 WeakPolarHBondContact O-CB 3.42Å; S1034-L1038 PolarHBondContact O-N 3.37Å; S1034-L1038 VanDerWaalsContact O-N 3.1Å; R1035-L1038 WeakPolarHBondContact O-CB 3.35Å; R1035-L1038 PolarHBondContact O-N 3.35Å; D1036-L1038 VanDerWaalsContact C-N 3.27Å; D1036-L1038 PolarHBondContact O-N 3.34Å; L1038-N1040 VanDerWaalsContact C-N 3.33Å; L1038-N1040 PolarHBondContact O-N 3.12Å; L1038-V1041 PolarHBondContact O-N 2.85Å; L1038-L1042 HydrophobicContact CD1-CD1 4.15Å; L1038-L1042 HydrophobicContact CD1-CG 4.11Å; L1038-L1042 HydrophobicContact CG-CD1 4.02Å; L1038-L1042 HydrophobicContact CG-CG 4.43Å; L1038-L1042 WeakPolarHBondContact O-CB 3.33Å; L1038-L1042 WeakPolarHBondContact O-CG 3.2Å; L1038-L1042 PolarHBondContact O-N 3.39Å |
| 1039 | K | 89.1 | Confident | 82.8 | Confident | 130 Ų | 130 | 80.3 Ų | 80.3 | 57% | 0.565 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -57.7 | -47.2 | 171.8 | -65.7 | 172.8 | -168.6 | 163.8 | 0 | 110.9 | R1035 D1036 L1042 S1043 | R1035-K1039 WeakPolarHBondContact O-CG 3.44Å; R1035-K1039 PolarHBondContact O-N 2.86Å; D1036-K1039 WeakPolarHBondContact O-CB 3.28Å; D1036-K1039 PolarHBondContact O-N 2.78Å; D1036-K1039 WeakPolarHBondContact OD1-CD 3.19Å; D1036-K1039 WeakPolarHBondContact OD1-CE 3.26Å; D1036-K1039 IonicContact OD1-NZ 3.29Å; D1036-K1039 PolarHBondContact OD1-NZ 3.23Å; K1039-L1042 PolarHBondContact O-N 3.3Å; K1039-S1043 PolarHBondContact O-N 3.3Å |
| 1040 | N | 87.9 | Confident | 80.9 | Confident | 103 Ų | 103 | 74 Ų | 74 | 55% | 0.551 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -67.1 | -39.5 | -178.4 | -66.8 | -9.1 | 0 | 0 | 0 | 111.9 | D1036 L1037 L1038 S1043 V1044 | D1036-N1040 WeakPolarHBondContact O-CB 3.32Å; D1036-N1040 PolarHBondContact O-N 2.82Å; D1036-N1040 PolarHBondContact O-OD1 2.83Å; L1037-N1040 PolarHBondContact O-N 3.41Å; L1038-N1040 VanDerWaalsContact C-N 3.33Å; L1038-N1040 PolarHBondContact O-N 3.12Å; N1040-S1043 PolarHBondContact O-N 2.88Å; N1040-V1044 WeakPolarHBondContact O-CB 3.33Å; N1040-V1044 VanDerWaalsContact O-CG2 3.31Å; N1040-V1044 WeakPolarHBondContact O-CG2 3.48Å; N1040-V1044 PolarHBondContact O-N 3.45Å |
| 1041 | V | 85.2 | Confident | 79 | Confident | 26 Ų | 26 | 78.7 Ų | 78.7 | 16% | 0.158 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.3 | -36.9 | 171.8 | 166.6 | 0 | 0 | 0 | 0 | 111.6 | I982 L986 L1037 L1038 V1044 V1045 | I982-V1041 HydrophobicContact CG2-CG1 3.95Å; I982-V1041 HydrophobicContact CG2-CG2 4.05Å; L986-V1041 HydrophobicContact CD1-CB 4.04Å; L986-V1041 HydrophobicContact CD1-CG1 4.39Å; L986-V1041 HydrophobicContact CD1-CG2 3.77Å; L1037-V1041 HydrophobicContact CD1-CG2 4.43Å; L1037-V1041 WeakPolarHBondContact O-CB 3.37Å; L1037-V1041 WeakPolarHBondContact O-CG2 3.43Å; L1037-V1041 PolarHBondContact O-N 2.8Å; L1038-V1041 PolarHBondContact O-N 2.85Å; V1041-V1044 PolarHBondContact O-N 2.82Å; V1041-V1045 HydrophobicContact CG1-CG2 4.36Å; V1041-V1045 VanDerWaalsContact O-CB 3.32Å; V1041-V1045 WeakPolarHBondContact O-CB 3.44Å; V1041-V1045 VanDerWaalsContact O-CG2 3.25Å; V1041-V1045 WeakPolarHBondContact O-CG2 3.29Å; V1041-V1045 PolarHBondContact O-N 3.48Å |
| 1042 | L | 84.9 | Confident | 77.3 | Confident | 69 Ų | 69 | 80.9 Ų | 80.9 | 36% | 0.361 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.6 | -39.9 | 175.2 | -73.4 | 170.6 | 0 | 0 | 0 | 112.3 | K983 L1038 K1039 Q1046 | K983-L1042 HydrophobicContact CD-CD2 3.86Å; K983-L1042 HydrophobicContact CG-CD2 4.36Å; L1038-L1042 HydrophobicContact CD1-CD1 4.15Å; L1038-L1042 HydrophobicContact CD1-CG 4.11Å; L1038-L1042 HydrophobicContact CG-CD1 4.02Å; L1038-L1042 HydrophobicContact CG-CG 4.43Å; L1038-L1042 WeakPolarHBondContact O-CB 3.33Å; L1038-L1042 WeakPolarHBondContact O-CG 3.2Å; L1038-L1042 PolarHBondContact O-N 3.39Å; K1039-L1042 PolarHBondContact O-N 3.3Å; L1042-Q1046 WeakPolarHBondContact O-CB 3.31Å; L1042-Q1046 PolarHBondContact O-N 3.25Å |
| 1043 | S | 80 | Confident | 75.7 | Confident | 55 Ų | 55 | 77.8 Ų | 77.8 | 39% | 0.385 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.3 | -53.5 | 169.5 | 154.3 | 0 | 0 | 0 | 0 | 110.7 | K1039 N1040 V1045 Q1046 D1047 | K1039-S1043 PolarHBondContact O-N 3.3Å; N1040-S1043 PolarHBondContact O-N 2.88Å; S1043-V1045 VanDerWaalsContact C-N 3.25Å; S1043-V1045 PolarHBondContact O-N 3.48Å; S1043-V1045 VanDerWaalsContact O-N 3.17Å; S1043-Q1046 CarbonylContact O-C 3.6Å; S1043-Q1046 WeakPolarHBondContact O-CA 3.45Å; S1043-Q1046 PolarHBondContact O-N 2.87Å; S1043-D1047 VanDerWaalsContact O-CB 3.3Å; S1043-D1047 WeakPolarHBondContact O-CB 3.46Å; S1043-D1047 PolarHBondContact O-N 2.96Å; S1043-D1047 PolarHBondContact OG-OD2 2.87Å |
| 1044 | V | 77.8 | Confident | 74.4 | Confident | 71 Ų | 71 | 79.1 Ų | 79.1 | 43% | 0.43 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -56.2 | -39.5 | 178.5 | 169.3 | 0 | 0 | 0 | 0 | 112 | N1040 V1041 Q1048 | N1040-V1044 WeakPolarHBondContact O-CB 3.33Å; N1040-V1044 VanDerWaalsContact O-CG2 3.31Å; N1040-V1044 WeakPolarHBondContact O-CG2 3.48Å; N1040-V1044 PolarHBondContact O-N 3.45Å; V1041-V1044 PolarHBondContact O-N 2.82Å; V1044-Q1048 HydrophobicContact CG1-CG 4.32Å; V1044-Q1048 WeakPolarHBondContact O-CA 3.17Å; V1044-Q1048 WeakPolarHBondContact O-CB 3.42Å; V1044-Q1048 WeakPolarHBondContact O-CG 3.23Å; V1044-Q1048 PolarHBondContact O-N 2.97Å |
| 1045 | V | 72.8 | Confident | 73.3 | Confident | 46 Ų | 46 | 84.9 Ų | 84.9 | 28% | 0.279 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.6 | -42.3 | 172.2 | 169.1 | 0 | 0 | 0 | 0 | 111.7 | V1041 S1043 L1049 G1050 | V1041-V1045 HydrophobicContact CG1-CG2 4.36Å; V1041-V1045 VanDerWaalsContact O-CB 3.32Å; V1041-V1045 WeakPolarHBondContact O-CB 3.44Å; V1041-V1045 VanDerWaalsContact O-CG2 3.25Å; V1041-V1045 WeakPolarHBondContact O-CG2 3.29Å; V1041-V1045 PolarHBondContact O-N 3.48Å; S1043-V1045 VanDerWaalsContact C-N 3.25Å; S1043-V1045 PolarHBondContact O-N 3.48Å; S1043-V1045 VanDerWaalsContact O-N 3.17Å; V1045-L1049 HydrophobicContact CG1-CD1 4.18Å; V1045-L1049 HydrophobicContact CG2-CD1 4.42Å; V1045-L1049 CarbonylContact O-C 3.58Å; V1045-L1049 VanDerWaalsContact O-CA 3.23Å; V1045-L1049 WeakPolarHBondContact O-CA 3.43Å; V1045-L1049 WeakPolarHBondContact O-CB 3.3Å; V1045-L1049 PolarHBondContact O-N 3.36Å; V1045-G1050 PolarHBondContact O-N 2.9Å; V1045-G1050 VanDerWaalsContact O-N 3.13Å |
| 1046 | Q | 69.1 | Low | 72.2 | Confident | 142 Ų | 142 | 84.7 Ų | 84.7 | 66% | 0.664 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -72.8 | -27.6 | -179.8 | -174.4 | 166.3 | -22.5 | 0 | 0 | 113.5 | L1042 S1043 G1050 | L1042-Q1046 WeakPolarHBondContact O-CB 3.31Å; L1042-Q1046 PolarHBondContact O-N 3.25Å; S1043-Q1046 CarbonylContact O-C 3.6Å; S1043-Q1046 WeakPolarHBondContact O-CA 3.45Å; S1043-Q1046 PolarHBondContact O-N 2.87Å; Q1046-G1050 WeakPolarHBondContact O-CA 3.4Å; Q1046-G1050 PolarHBondContact O-N 2.91Å |
| 1047 | D | 67.2 | Low | 71.2 | Confident | 101 Ų | 101 | 85.6 Ų | 85.6 | 54% | 0.54 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -95.3 | -39.9 | -175.6 | -58.6 | -40.5 | 0 | 0 | 0 | 111 | S1043 | S1043-D1047 VanDerWaalsContact O-CB 3.3Å; S1043-D1047 WeakPolarHBondContact O-CB 3.46Å; S1043-D1047 PolarHBondContact O-N 2.96Å; S1043-D1047 PolarHBondContact OG-OD2 2.87Å |
| 1048 | Q | 59.2 | Low | 70.3 | Confident | 138 Ų | 138 | 86.7 Ų | 86.7 | 65% | 0.645 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -91 | -23.4 | 176.9 | -54.6 | -173.4 | 1 | 0 | 0 | 114.1 | V1044 P1052 | V1044-Q1048 HydrophobicContact CG1-CG 4.32Å; V1044-Q1048 WeakPolarHBondContact O-CA 3.17Å; V1044-Q1048 WeakPolarHBondContact O-CB 3.42Å; V1044-Q1048 WeakPolarHBondContact O-CG 3.23Å; V1044-Q1048 PolarHBondContact O-N 2.97Å; Q1048-P1052 WeakPolarHBondContact O-CD 3.24Å; Q1048-P1052 VanDerWaalsContact O-CG 3.28Å; Q1048-P1052 WeakPolarHBondContact O-CG 3.49Å |
| 1049 | L | 51.5 | Low | 69.5 | Low | 39 Ų | 39 | 87.4 Ų | 87.4 | 20% | 0.204 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | -22.5 | 172 | -64.2 | 159.1 | 0 | 0 | 0 | 112.8 | A976 V1045 T1053 | A976-L1049 HydrophobicContact CB-CD2 4.41Å; V1045-L1049 HydrophobicContact CG1-CD1 4.18Å; V1045-L1049 HydrophobicContact CG2-CD1 4.42Å; V1045-L1049 CarbonylContact O-C 3.58Å; V1045-L1049 VanDerWaalsContact O-CA 3.23Å; V1045-L1049 WeakPolarHBondContact O-CA 3.43Å; V1045-L1049 WeakPolarHBondContact O-CB 3.3Å; V1045-L1049 PolarHBondContact O-N 3.36Å; L1049-T1053 WeakPolarHBondContact CB-OG1 3.34Å; L1049-T1053 WeakPolarHBondContact CD2-OG1 3.28Å; L1049-T1053 VanDerWaalsContact O-CA 3.27Å; L1049-T1053 WeakPolarHBondContact O-CA 3.43Å; L1049-T1053 WeakPolarHBondContact O-CB 3.37Å; L1049-T1053 PolarHBondContact O-N 3.27Å; L1049-T1053 PolarHBondContact O-OG1 3.26Å |
| 1050 | G | 51.4 | Low | 68.6 | Low | 30 Ų | 30 | 86.7 Ų | 86.7 | 31% | 0.309 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.1 | -54 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | V1045 Q1046 Y1054 | V1045-G1050 PolarHBondContact O-N 2.9Å; V1045-G1050 VanDerWaalsContact O-N 3.13Å; Q1046-G1050 WeakPolarHBondContact O-CA 3.4Å; Q1046-G1050 PolarHBondContact O-N 2.91Å; G1050-Y1054 WeakPolarHBondContact O-CB 3.18Å; G1050-Y1054 PolarHBondContact O-N 2.95Å |
| 1051 | F | 50.6 | Low | 68.3 | Low | 163 Ų | 163 | 89.4 Ų | 89.4 | 72% | 0.715 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -66.6 | -49.4 | 178.1 | -145.9 | -92.5 | 0 | 0 | 0 | 112.1 | Y1055 | F1051-Y1055 WeakPolarHBondContact O-CB 3.37Å; F1051-Y1055 PolarHBondContact O-N 2.85Å |
| 1052 | P | 57.1 | Low | 68.1 | Low | 59 Ų | 59 | 93.4 Ų | 93.4 | 38% | 0.383 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -71.3 | -39 | -179.2 | -23.1 | 38.5 | 0 | 0 | 0 | 113.8 | Q1048 L1056 | Q1048-P1052 WeakPolarHBondContact O-CD 3.24Å; Q1048-P1052 VanDerWaalsContact O-CG 3.28Å; Q1048-P1052 WeakPolarHBondContact O-CG 3.49Å; P1052-L1056 VanDerWaalsContact O-CB 3.23Å; P1052-L1056 WeakPolarHBondContact O-CB 3.33Å; P1052-L1056 WeakPolarHBondContact O-CG 3.29Å; P1052-L1056 PolarHBondContact O-N 2.8Å |
| 1053 | T | 57.3 | Low | 67.8 | Low | 58 Ų | 58 | 93.1 Ų | 93.1 | 36% | 0.356 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -80.3 | -30.6 | -178.6 | -41.4 | 0 | 0 | 0 | 0 | 112 | L1049 L1057 | L1049-T1053 WeakPolarHBondContact CB-OG1 3.34Å; L1049-T1053 WeakPolarHBondContact CD2-OG1 3.28Å; L1049-T1053 VanDerWaalsContact O-CA 3.27Å; L1049-T1053 WeakPolarHBondContact O-CA 3.43Å; L1049-T1053 WeakPolarHBondContact O-CB 3.37Å; L1049-T1053 PolarHBondContact O-N 3.27Å; L1049-T1053 PolarHBondContact O-OG1 3.26Å; T1053-L1057 WeakPolarHBondContact O-CB 3.1Å; T1053-L1057 PolarHBondContact O-N 3.38Å |
| 1054 | Y | 63.7 | Low | 68.1 | Low | 152 Ų | 152 | 95 Ų | 95 | 60% | 0.596 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -62 | -48.6 | 168.7 | -176.2 | -97.1 | 0 | 0 | 0 | 110.3 | G1050 L1057 Q1058 | G1050-Y1054 WeakPolarHBondContact O-CB 3.18Å; G1050-Y1054 PolarHBondContact O-N 2.95Å; Y1054-L1057 PolarHBondContact O-N 3.44Å; Y1054-Q1058 VanDerWaalsContact O-CB 3.24Å; Y1054-Q1058 WeakPolarHBondContact O-CB 3.33Å; Y1054-Q1058 PolarHBondContact O-N 2.72Å |
| 1055 | Y | 68.6 | Low | 68.6 | Low | 132 Ų | 132 | 94.2 Ų | 94.2 | 52% | 0.518 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.8 | -49.7 | 177.1 | -174 | -102.7 | 0 | 0 | 0 | 112.3 | F1051 L1057 Q1058 C1059 | F1051-Y1055 WeakPolarHBondContact O-CB 3.37Å; F1051-Y1055 PolarHBondContact O-N 2.85Å; Y1055-L1057 PolarHBondContact O-N 3.3Å; Y1055-Q1058 PolarHBondContact O-N 3.26Å; Y1055-C1059 VanDerWaalsContact CE1-SG 3.6Å; Y1055-C1059 WeakPolarHBondContact O-CB 3.29Å; Y1055-C1059 PolarHBondContact O-N 3.4Å; Y1055-C1059 PolarHBondContact O-SG 2.8Å; Y1055-C1059 VanDerWaalsContact O-SG 3.32Å |
| 1056 | L | 68.9 | Low | 69.2 | Low | 113 Ų | 113 | 97.4 Ų | 97.4 | 59% | 0.592 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.9 | -37.5 | 178.3 | -72.9 | 169.5 | 0 | 0 | 0 | 112.6 | P1052 H1060 | P1052-L1056 VanDerWaalsContact O-CB 3.23Å; P1052-L1056 WeakPolarHBondContact O-CB 3.33Å; P1052-L1056 WeakPolarHBondContact O-CG 3.29Å; P1052-L1056 PolarHBondContact O-N 2.8Å; L1056-H1060 WeakPolarHBondContact O-CB 3.37Å; L1056-H1060 PolarHBondContact O-N 3.34Å |
| 1057 | L | 71.2 | Confident | 70 | Confident | 81 Ų | 81 | 96.1 Ų | 96.1 | 42% | 0.424 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -71 | -34.8 | 175.3 | -165.8 | 74.6 | 0 | 0 | 0 | 111.2 | T1053 Y1054 Y1055 H1060 R1061 | T1053-L1057 WeakPolarHBondContact O-CB 3.1Å; T1053-L1057 PolarHBondContact O-N 3.38Å; Y1054-L1057 PolarHBondContact O-N 3.44Å; Y1055-L1057 PolarHBondContact O-N 3.3Å; L1057-H1060 PolarHBondContact O-N 3.49Å; L1057-R1061 WeakPolarHBondContact O-CB 3.18Å; L1057-R1061 WeakPolarHBondContact O-CG 3.19Å; L1057-R1061 PolarHBondContact O-N 3.4Å |
| 1058 | Q | 73.6 | Confident | 71 | Confident | 86 Ų | 86 | 99.8 Ų | 99.8 | 40% | 0.402 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.3 | -46.9 | 173 | -170.5 | 174.6 | 16.3 | 0 | 0 | 111 | Y1054 Y1055 H1060 R1061 L1062 | Y1054-Q1058 VanDerWaalsContact O-CB 3.24Å; Y1054-Q1058 WeakPolarHBondContact O-CB 3.33Å; Y1054-Q1058 PolarHBondContact O-N 2.72Å; Y1055-Q1058 PolarHBondContact O-N 3.26Å; Q1058-H1060 VanDerWaalsContact C-N 3.35Å; Q1058-H1060 PolarHBondContact O-N 3.38Å; Q1058-R1061 WeakPolarHBondContact O-CB 3.48Å; Q1058-R1061 PolarHBondContact O-N 3.45Å; Q1058-L1062 HydrophobicContact CG-CD1 4.23Å; Q1058-L1062 WeakPolarHBondContact O-CB 3.4Å; Q1058-L1062 VanDerWaalsContact O-CG 3.29Å; Q1058-L1062 WeakPolarHBondContact O-CG 3.32Å; Q1058-L1062 PolarHBondContact O-N 3.43Å |
| 1059 | C | 71.8 | Confident | 72.5 | Confident | 41 Ų | 41 | 98.5 Ų | 98.5 | 28% | 0.277 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -56 | -47.6 | 170.6 | -70.1 | 0 | 0 | 0 | 0 | 111.3 | Y1055 R1061 L1062 T1063 | Y1055-C1059 VanDerWaalsContact CE1-SG 3.6Å; Y1055-C1059 WeakPolarHBondContact O-CB 3.29Å; Y1055-C1059 PolarHBondContact O-N 3.4Å; Y1055-C1059 PolarHBondContact O-SG 2.8Å; Y1055-C1059 VanDerWaalsContact O-SG 3.32Å; C1059-R1061 VanDerWaalsContact C-N 3.34Å; C1059-R1061 PolarHBondContact O-N 2.88Å; C1059-L1062 CarbonylContact O-C 3.3Å; C1059-L1062 PolarHBondContact O-N 3.27Å; C1059-L1062 VanDerWaalsContact O-N 3.13Å; C1059-T1063 PolarHBondContact O-N 3.22Å; C1059-T1063 PolarHBondContact O-OG1 2.92Å; C1059-T1063 VanDerWaalsContact O-OG1 3.06Å |
| 1060 | H | 71.5 | Confident | 74.4 | Confident | 115 Ų | 115 | 99.5 Ų | 99.5 | 53% | 0.532 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.8 | -33.9 | 179.6 | -167.9 | 57.5 | 0 | 0 | 0 | 112.9 | L1056 L1057 Q1058 K1064 | L1056-H1060 WeakPolarHBondContact O-CB 3.37Å; L1056-H1060 PolarHBondContact O-N 3.34Å; L1057-H1060 PolarHBondContact O-N 3.49Å; Q1058-H1060 VanDerWaalsContact C-N 3.35Å; Q1058-H1060 PolarHBondContact O-N 3.38Å; H1060-K1064 VanDerWaalsContact O-CB 3.26Å; H1060-K1064 WeakPolarHBondContact O-CB 3.38Å; H1060-K1064 WeakPolarHBondContact O-CG 3.43Å; H1060-K1064 PolarHBondContact O-N 2.77Å |
| 1061 | R | 80.4 | Confident | 76.2 | Confident | 161 Ų | 161 | 105.3 Ų | 105.3 | 61% | 0.608 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.2 | -45.4 | 169 | -74.8 | 170.1 | -170.6 | -165.3 | 5.5 | 111.4 | L1057 Q1058 C1059 K1064 A1065 | L1057-R1061 WeakPolarHBondContact O-CB 3.18Å; L1057-R1061 WeakPolarHBondContact O-CG 3.19Å; L1057-R1061 PolarHBondContact O-N 3.4Å; Q1058-R1061 WeakPolarHBondContact O-CB 3.48Å; Q1058-R1061 PolarHBondContact O-N 3.45Å; C1059-R1061 VanDerWaalsContact C-N 3.34Å; C1059-R1061 PolarHBondContact O-N 2.88Å; R1061-K1064 PolarHBondContact O-N 3.23Å; R1061-A1065 WeakPolarHBondContact O-CB 3.47Å; R1061-A1065 PolarHBondContact O-N 2.77Å |
| 1062 | L | 81.2 | Confident | 77.9 | Confident | 109 Ų | 109 | 104.4 Ų | 104.4 | 57% | 0.571 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.3 | -46.8 | 178.8 | -71.8 | 169.2 | 0 | 0 | 0 | 111.6 | Q1058 C1059 K1064 A1065 Q1066 | Q1058-L1062 HydrophobicContact CG-CD1 4.23Å; Q1058-L1062 WeakPolarHBondContact O-CB 3.4Å; Q1058-L1062 VanDerWaalsContact O-CG 3.29Å; Q1058-L1062 WeakPolarHBondContact O-CG 3.32Å; Q1058-L1062 PolarHBondContact O-N 3.43Å; C1059-L1062 CarbonylContact O-C 3.3Å; C1059-L1062 PolarHBondContact O-N 3.27Å; C1059-L1062 VanDerWaalsContact O-N 3.13Å; L1062-K1064 PolarHBondContact O-N 2.82Å; L1062-A1065 PolarHBondContact O-N 3.21Å; L1062-A1065 VanDerWaalsContact O-N 3.14Å; L1062-Q1066 WeakPolarHBondContact O-CB 3.48Å; L1062-Q1066 PolarHBondContact O-N 3.4Å |
| 1063 | T | 79.9 | Confident | 79.6 | Confident | 64 Ų | 64 | 105.8 Ų | 105.8 | 39% | 0.393 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 173.7 | -53.4 | 0 | 0 | 0 | 0 | 111.4 | C1059 A1065 Q1066 Q1067 | C1059-T1063 PolarHBondContact O-N 3.22Å; C1059-T1063 PolarHBondContact O-OG1 2.92Å; C1059-T1063 VanDerWaalsContact O-OG1 3.06Å; T1063-A1065 VanDerWaalsContact C-N 3.33Å; T1063-A1065 PolarHBondContact O-N 3.45Å; T1063-Q1066 PolarHBondContact O-N 2.92Å; T1063-Q1067 WeakPolarHBondContact O-CB 3.45Å; T1063-Q1067 VanDerWaalsContact O-CG 3.29Å; T1063-Q1067 WeakPolarHBondContact O-CG 3.37Å; T1063-Q1067 PolarHBondContact O-N 2.83Å |
| 1064 | K | 86.1 | Confident | 81.2 | Confident | 93 Ų | 93 | 110.6 Ų | 110.6 | 40% | 0.404 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.8 | -29.4 | 175 | -80.2 | 174 | 163.2 | 170.1 | 0 | 113.3 | H1060 R1061 L1062 R1068 | H1060-K1064 VanDerWaalsContact O-CB 3.26Å; H1060-K1064 WeakPolarHBondContact O-CB 3.38Å; H1060-K1064 WeakPolarHBondContact O-CG 3.43Å; H1060-K1064 PolarHBondContact O-N 2.77Å; R1061-K1064 PolarHBondContact O-N 3.23Å; L1062-K1064 PolarHBondContact O-N 2.82Å; K1064-R1068 WeakPolarHBondContact O-CD 3.18Å; K1064-R1068 WeakPolarHBondContact O-CG 3.2Å; K1064-R1068 PolarHBondContact O-N 3.32Å |
| 1065 | A | 88.1 | Confident | 82.5 | Confident | 56 Ų | 56 | 107.1 Ų | 107.1 | 46% | 0.463 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -74.1 | -42.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | R1061 L1062 T1063 R1068 K1069 | R1061-A1065 WeakPolarHBondContact O-CB 3.47Å; R1061-A1065 PolarHBondContact O-N 2.77Å; L1062-A1065 PolarHBondContact O-N 3.21Å; L1062-A1065 VanDerWaalsContact O-N 3.14Å; T1063-A1065 VanDerWaalsContact C-N 3.33Å; T1063-A1065 PolarHBondContact O-N 3.45Å; A1065-R1068 CarbonylContact O-C 3.54Å; A1065-R1068 PolarHBondContact O-N 3.42Å; A1065-K1069 PolarHBondContact O-N 3.01Å |
| 1066 | Q | 84.6 | Confident | 83.6 | Confident | 112 Ų | 112 | 106.6 Ų | 106.6 | 52% | 0.523 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.2 | -46.7 | 175 | -177.6 | 178.6 | -25.6 | 0 | 0 | 111.4 | L1062 T1063 R1068 K1069 E1070 | L1062-Q1066 WeakPolarHBondContact O-CB 3.48Å; L1062-Q1066 PolarHBondContact O-N 3.4Å; T1063-Q1066 PolarHBondContact O-N 2.92Å; Q1066-R1068 VanDerWaalsContact C-N 3.25Å; Q1066-R1068 PolarHBondContact O-N 2.78Å; Q1066-K1069 CarbonylContact O-C 3.56Å; Q1066-K1069 WeakPolarHBondContact O-CA 3.4Å; Q1066-K1069 WeakPolarHBondContact O-CB 3.38Å; Q1066-K1069 PolarHBondContact O-N 3.23Å; Q1066-E1070 HydrophobicContact CG-CG 4.35Å; Q1066-E1070 WeakPolarHBondContact CG-OE1 3.43Å; Q1066-E1070 PolarHBondContact NE2-OE1 3.32Å; Q1066-E1070 PolarHBondContact O-N 2.88Å |
| 1067 | Q | 86.2 | Confident | 84.7 | Confident | 115 Ų | 115 | 103.4 Ų | 103.4 | 54% | 0.537 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.1 | -36.6 | 174.4 | -74.8 | 172 | -17.4 | 0 | 0 | 112.4 | T1063 K1069 Y1071 | T1063-Q1067 WeakPolarHBondContact O-CB 3.45Å; T1063-Q1067 VanDerWaalsContact O-CG 3.29Å; T1063-Q1067 WeakPolarHBondContact O-CG 3.37Å; T1063-Q1067 PolarHBondContact O-N 2.83Å; Q1067-K1069 VanDerWaalsContact C-N 3.35Å; Q1067-Y1071 WeakPolarHBondContact O-CB 3.38Å; Q1067-Y1071 PolarHBondContact O-N 3.44Å |
| 1068 | R | 88.3 | Confident | 85.6 | Confident | 178 Ų | 178 | 102 Ų | 102 | 67% | 0.672 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -75.2 | -19.7 | 172.7 | -69.1 | 168.6 | -166.7 | -103.1 | 3.7 | 113.8 | K1064 A1065 Q1066 R1072 | K1064-R1068 WeakPolarHBondContact O-CD 3.18Å; K1064-R1068 WeakPolarHBondContact O-CG 3.2Å; K1064-R1068 PolarHBondContact O-N 3.32Å; A1065-R1068 CarbonylContact O-C 3.54Å; A1065-R1068 PolarHBondContact O-N 3.42Å; Q1066-R1068 VanDerWaalsContact C-N 3.25Å; Q1066-R1068 PolarHBondContact O-N 2.78Å; R1068-R1072 WeakPolarHBondContact O-CG 3.42Å; R1068-R1072 PolarHBondContact O-NE 2.87Å |
| 1069 | K | 90.7 | Very high | 86.4 | Confident | 112 Ų | 112 | 103.2 Ų | 103.2 | 49% | 0.487 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -77.7 | -57.7 | 171.4 | -172.2 | -169.9 | 154.8 | 178.8 | 0 | 108.8 | A1065 Q1066 Q1067 Y1071 R1072 E1073 | A1065-K1069 PolarHBondContact O-N 3.01Å; Q1066-K1069 CarbonylContact O-C 3.56Å; Q1066-K1069 WeakPolarHBondContact O-CA 3.4Å; Q1066-K1069 WeakPolarHBondContact O-CB 3.38Å; Q1066-K1069 PolarHBondContact O-N 3.23Å; Q1067-K1069 VanDerWaalsContact C-N 3.35Å; K1069-Y1071 VanDerWaalsContact C-N 3.29Å; K1069-Y1071 PolarHBondContact O-N 2.83Å; K1069-R1072 WeakPolarHBondContact O-CA 3.23Å; K1069-R1072 WeakPolarHBondContact O-CB 3.27Å; K1069-R1072 PolarHBondContact O-N 3.25Å; K1069-E1073 WeakPolarHBondContact CE-OE1 3.22Å; K1069-E1073 WeakPolarHBondContact CE-OE2 3.3Å; K1069-E1073 IonicContact NZ-OE1 2.79Å; K1069-E1073 PolarHBondContact NZ-OE1 2.89Å; K1069-E1073 WeakPolarHBondContact O-CG 3.25Å; K1069-E1073 PolarHBondContact O-N 3.01Å |
| 1070 | E | 90.3 | Very high | 87.4 | Confident | 60 Ų | 60 | 108 Ų | 108 | 28% | 0.28 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -55.4 | -40.3 | 177.2 | -69.4 | 179.1 | -146.9 | 0 | 0 | 112.7 | Q1066 E1073 R1074 | Q1066-E1070 HydrophobicContact CG-CG 4.35Å; Q1066-E1070 WeakPolarHBondContact CG-OE1 3.43Å; Q1066-E1070 PolarHBondContact NE2-OE1 3.32Å; Q1066-E1070 PolarHBondContact O-N 2.88Å; E1070-E1073 PolarHBondContact O-N 2.99Å; E1070-R1074 WeakPolarHBondContact O-CB 3.47Å; E1070-R1074 WeakPolarHBondContact O-CG 3.4Å; E1070-R1074 PolarHBondContact O-N 3.41Å; E1070-R1074 IonicContact OE2-CZ 3.71Å; E1070-R1074 IonicContact OE2-NH2 3.01Å; E1070-R1074 PolarHBondContact OE2-NH2 3.24Å |
| 1071 | Y | 89.4 | Confident | 88.3 | Confident | 152 Ų | 152 | 107.3 Ų | 107.3 | 60% | 0.596 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.6 | -42.1 | 175.2 | 178.4 | -101.7 | 0 | 0 | 0 | 112.2 | Q1067 K1069 M1075 | Q1067-Y1071 WeakPolarHBondContact O-CB 3.38Å; Q1067-Y1071 PolarHBondContact O-N 3.44Å; K1069-Y1071 VanDerWaalsContact C-N 3.29Å; K1069-Y1071 PolarHBondContact O-N 2.83Å; Y1071-M1075 HydrophobicContact CD1-CG 4.36Å; Y1071-M1075 HydrophobicContact CD2-CG 4.47Å; Y1071-M1075 HydrophobicContact CE1-CG 3.94Å; Y1071-M1075 HydrophobicContact CE2-CE 4.44Å; Y1071-M1075 HydrophobicContact CE2-CG 4.06Å; Y1071-M1075 HydrophobicContact CE2-SD 4.22Å; Y1071-M1075 VanDerWaalsContact O-CG 3.22Å; Y1071-M1075 WeakPolarHBondContact O-CG 3.31Å; Y1071-M1075 PolarHBondContact O-N 2.83Å |
| 1072 | R | 87.3 | Confident | 88.8 | Confident | 144 Ų | 144 | 104.2 Ų | 104.2 | 54% | 0.543 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 175.5 | -77.7 | -177 | -67.8 | 165.8 | 3.2 | 111.6 | R1068 K1069 M1075 Q1076 | R1068-R1072 WeakPolarHBondContact O-CG 3.42Å; R1068-R1072 PolarHBondContact O-NE 2.87Å; K1069-R1072 WeakPolarHBondContact O-CA 3.23Å; K1069-R1072 WeakPolarHBondContact O-CB 3.27Å; K1069-R1072 PolarHBondContact O-N 3.25Å; R1072-M1075 PolarHBondContact O-N 3.48Å; R1072-Q1076 WeakPolarHBondContact O-CB 3.39Å; R1072-Q1076 VanDerWaalsContact O-CG 3.31Å; R1072-Q1076 WeakPolarHBondContact O-CG 3.39Å; R1072-Q1076 PolarHBondContact O-N 3.12Å |
| 1073 | E | 92.6 | Very high | 89.4 | Confident | 87 Ų | 87 | 107 Ų | 107 | 41% | 0.407 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 177.9 | -69.9 | 169.2 | 144.2 | 0 | 0 | 111.6 | K1069 E1070 Q1076 A1077 | K1069-E1073 WeakPolarHBondContact CE-OE1 3.22Å; K1069-E1073 WeakPolarHBondContact CE-OE2 3.3Å; K1069-E1073 IonicContact NZ-OE1 2.79Å; K1069-E1073 PolarHBondContact NZ-OE1 2.89Å; K1069-E1073 WeakPolarHBondContact O-CG 3.25Å; K1069-E1073 PolarHBondContact O-N 3.01Å; E1070-E1073 PolarHBondContact O-N 2.99Å; E1073-Q1076 PolarHBondContact O-N 3.26Å; E1073-A1077 WeakPolarHBondContact O-CB 3.45Å; E1073-A1077 PolarHBondContact O-N 2.91Å |
| 1074 | R | 91.8 | Very high | 89.9 | Confident | 160 Ų | 160 | 105.4 Ų | 105.4 | 60% | 0.604 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.6 | -41.3 | 172.5 | -69.4 | 172.5 | -151.8 | -157.5 | 8.6 | 112.2 | E1070 E1078 | E1070-R1074 WeakPolarHBondContact O-CB 3.47Å; E1070-R1074 WeakPolarHBondContact O-CG 3.4Å; E1070-R1074 PolarHBondContact O-N 3.41Å; E1070-R1074 IonicContact OE2-CZ 3.71Å; E1070-R1074 IonicContact OE2-NH2 3.01Å; E1070-R1074 PolarHBondContact OE2-NH2 3.24Å; R1074-E1078 WeakPolarHBondContact O-CB 3.44Å; R1074-E1078 PolarHBondContact O-N 2.89Å |
| 1075 | M | 90.1 | Very high | 90.2 | Very high | 79 Ų | 79 | 103 Ų | 103 | 39% | 0.389 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -70 | -32.6 | 176.4 | -66.3 | -67.8 | 94 | 0 | 0 | 112.8 | Y1071 R1072 Q1079 | Y1071-M1075 HydrophobicContact CD1-CG 4.36Å; Y1071-M1075 HydrophobicContact CD2-CG 4.47Å; Y1071-M1075 HydrophobicContact CE1-CG 3.94Å; Y1071-M1075 HydrophobicContact CE2-CE 4.44Å; Y1071-M1075 HydrophobicContact CE2-CG 4.06Å; Y1071-M1075 HydrophobicContact CE2-SD 4.22Å; Y1071-M1075 VanDerWaalsContact O-CG 3.22Å; Y1071-M1075 WeakPolarHBondContact O-CG 3.31Å; Y1071-M1075 PolarHBondContact O-N 2.83Å; R1072-M1075 PolarHBondContact O-N 3.48Å; M1075-Q1079 VanDerWaalsContact O-CG 3.3Å; M1075-Q1079 WeakPolarHBondContact O-CG 3.38Å; M1075-Q1079 PolarHBondContact O-N 2.87Å |
| 1076 | Q | 91.9 | Very high | 90.4 | Very high | 120 Ų | 120 | 102.7 Ų | 102.7 | 56% | 0.561 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -68.9 | -45.9 | 173.5 | -75.8 | 172.9 | -50.7 | 0 | 0 | 111.3 | R1072 E1073 E1078 Q1079 E1080 | R1072-Q1076 WeakPolarHBondContact O-CB 3.39Å; R1072-Q1076 VanDerWaalsContact O-CG 3.31Å; R1072-Q1076 WeakPolarHBondContact O-CG 3.39Å; R1072-Q1076 PolarHBondContact O-N 3.12Å; E1073-Q1076 PolarHBondContact O-N 3.26Å; Q1076-E1078 VanDerWaalsContact C-N 3.28Å; Q1076-E1078 PolarHBondContact O-N 3.05Å; Q1076-Q1079 PolarHBondContact O-N 2.86Å; Q1076-E1080 WeakPolarHBondContact O-CB 3.44Å; Q1076-E1080 PolarHBondContact O-N 2.94Å |
| 1077 | A | 91.6 | Very high | 90.7 | Very high | 47 Ų | 47 | 101.6 Ų | 101.6 | 39% | 0.388 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.8 | -36.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1073 E1080 R1081 | E1073-A1077 WeakPolarHBondContact O-CB 3.45Å; E1073-A1077 PolarHBondContact O-N 2.91Å; A1077-E1080 PolarHBondContact O-N 3.06Å; A1077-R1081 WeakPolarHBondContact O-CG 3.42Å; A1077-R1081 PolarHBondContact O-N 3.47Å |
| 1078 | E | 90 | Very high | 90.8 | Very high | 51 Ų | 51 | 96.2 Ų | 96.2 | 24% | 0.238 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -67.9 | -43.3 | 174.7 | -167.4 | 60.3 | -164.2 | 0 | 0 | 112.5 | R1074 Q1076 E1080 R1081 M1082 | R1074-E1078 WeakPolarHBondContact O-CB 3.44Å; R1074-E1078 PolarHBondContact O-N 2.89Å; Q1076-E1078 VanDerWaalsContact C-N 3.28Å; Q1076-E1078 PolarHBondContact O-N 3.05Å; E1078-E1080 VanDerWaalsContact C-N 3.27Å; E1078-E1080 PolarHBondContact O-N 3.36Å; E1078-R1081 PolarHBondContact O-N 3.26Å; E1078-R1081 IonicContact OE2-CZ 2.91Å; E1078-R1081 IonicContact OE2-NE 3.29Å; E1078-R1081 PolarHBondContact OE2-NE 3.27Å; E1078-R1081 IonicContact OE2-NH2 2.76Å; E1078-R1081 PolarHBondContact OE2-NH2 3.5Å; E1078-M1082 VanDerWaalsContact O-CB 3.31Å; E1078-M1082 WeakPolarHBondContact O-CB 2.74Å; E1078-M1082 PolarHBondContact O-N 3.07Å |
| 1079 | Q | 90.8 | Very high | 90.9 | Very high | 111 Ų | 111 | 89.4 Ų | 89.4 | 52% | 0.519 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.5 | -34.9 | 173.8 | -73.9 | 175.2 | 8.6 | 0 | 0 | 112.2 | M1075 Q1076 R1083 | M1075-Q1079 VanDerWaalsContact O-CG 3.3Å; M1075-Q1079 WeakPolarHBondContact O-CG 3.38Å; M1075-Q1079 PolarHBondContact O-N 2.87Å; Q1076-Q1079 PolarHBondContact O-N 2.86Å; Q1079-R1083 WeakPolarHBondContact O-CB 3.21Å; Q1079-R1083 WeakPolarHBondContact O-CD 3.45Å; Q1079-R1083 WeakPolarHBondContact O-CG 3.38Å; Q1079-R1083 PolarHBondContact O-N 3.28Å |
| 1080 | E | 92 | Very high | 90.9 | Very high | 142 Ų | 142 | 88.2 Ų | 88.2 | 66% | 0.664 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -68.4 | -47.8 | 175.7 | -171.7 | 165.3 | -147.3 | 0 | 0 | 111.7 | Q1076 A1077 E1078 M1082 R1083 D1084 | Q1076-E1080 WeakPolarHBondContact O-CB 3.44Å; Q1076-E1080 PolarHBondContact O-N 2.94Å; A1077-E1080 PolarHBondContact O-N 3.06Å; E1078-E1080 VanDerWaalsContact C-N 3.27Å; E1078-E1080 PolarHBondContact O-N 3.36Å; E1080-M1082 VanDerWaalsContact C-N 3.28Å; E1080-M1082 PolarHBondContact O-N 3.05Å; E1080-R1083 PolarHBondContact O-N 2.65Å; E1080-D1084 PolarHBondContact O-N 2.88Å |
| 1081 | R | 91.6 | Very high | 90.8 | Very high | 100 Ų | 100 | 85.4 Ų | 85.4 | 38% | 0.377 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.9 | -38.6 | 173 | -70.8 | -163.9 | -62.7 | -177.7 | 0.4 | 112.8 | A1077 E1078 D1084 L1085 V1157 | A1077-R1081 WeakPolarHBondContact O-CG 3.42Å; A1077-R1081 PolarHBondContact O-N 3.47Å; E1078-R1081 PolarHBondContact O-N 3.26Å; E1078-R1081 IonicContact OE2-CZ 2.91Å; E1078-R1081 IonicContact OE2-NE 3.29Å; E1078-R1081 PolarHBondContact OE2-NE 3.27Å; E1078-R1081 IonicContact OE2-NH2 2.76Å; E1078-R1081 PolarHBondContact OE2-NH2 3.5Å; R1081-D1084 PolarHBondContact O-N 3.05Å; R1081-L1085 PolarHBondContact O-N 3.21Å; R1081-V1157 HydrophobicContact CB-CG1 4Å; R1081-V1157 HydrophobicContact CG-CG1 4.18Å |
| 1082 | M | 91.1 | Very high | 90.9 | Very high | 97 Ų | 97 | 78.3 Ų | 78.3 | 48% | 0.478 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -69.5 | -37.2 | 178.3 | -166.5 | 179.7 | -61.2 | 0 | 0 | 112.2 | E1078 E1080 L1086 | E1078-M1082 VanDerWaalsContact O-CB 3.31Å; E1078-M1082 WeakPolarHBondContact O-CB 2.74Å; E1078-M1082 PolarHBondContact O-N 3.07Å; E1080-M1082 VanDerWaalsContact C-N 3.28Å; E1080-M1082 PolarHBondContact O-N 3.05Å; M1082-L1086 HydrophobicContact CG-CD1 4.48Å; M1082-L1086 VanDerWaalsContact O-CG 3.3Å; M1082-L1086 WeakPolarHBondContact O-CG 3.21Å; M1082-L1086 PolarHBondContact O-N 2.84Å |
| 1083 | R | 92.2 | Very high | 91 | Very high | 166 Ų | 166 | 73.8 Ų | 73.8 | 63% | 0.626 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -66.1 | -42.2 | 171.4 | -73.3 | 166.3 | -177.5 | -170.5 | 1.1 | 112 | Q1079 E1080 L1086 N1087 | Q1079-R1083 WeakPolarHBondContact O-CB 3.21Å; Q1079-R1083 WeakPolarHBondContact O-CD 3.45Å; Q1079-R1083 WeakPolarHBondContact O-CG 3.38Å; Q1079-R1083 PolarHBondContact O-N 3.28Å; E1080-R1083 PolarHBondContact O-N 2.65Å; R1083-L1086 PolarHBondContact O-N 3.04Å; R1083-N1087 WeakPolarHBondContact O-CB 3.3Å; R1083-N1087 VanDerWaalsContact O-CG 3.23Å; R1083-N1087 PolarHBondContact O-N 2.92Å; R1083-N1087 PolarHBondContact O-ND2 3.4Å |
| 1084 | D | 91.7 | Very high | 90.7 | Very high | 32 Ų | 32 | 72 Ų | 72 | 17% | 0.171 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.3 | -48.7 | 175.7 | -162.7 | 22.6 | 0 | 0 | 0 | 110.1 | E1080 R1081 L1086 N1087 M1088 V1157 R1175 | E1080-D1084 PolarHBondContact O-N 2.88Å; R1081-D1084 PolarHBondContact O-N 3.05Å; D1084-L1086 PolarHBondContact O-N 3.35Å; D1084-N1087 PolarHBondContact O-N 3.39Å; D1084-M1088 WeakPolarHBondContact O-CG 3.3Å; D1084-M1088 PolarHBondContact O-N 3.41Å; D1084-M1088 WeakPolarHBondContact OD1-CE 3.31Å; D1084-V1157 HydrophobicContact CB-CG1 4.35Å; D1084-R1175 IonicContact OD1-NH2 2.73Å; D1084-R1175 IonicContact OD2-CZ 2.7Å; D1084-R1175 VanDerWaalsContact OD2-CZ 3.29Å; D1084-R1175 IonicContact OD2-NH1 3.08Å; D1084-R1175 PolarHBondContact OD2-NH1 2.97Å; D1084-R1175 IonicContact OD2-NH2 3.33Å; D1084-R1175 PolarHBondContact OD2-NH2 2.99Å |
| 1085 | L | 92.3 | Very high | 90.5 | Very high | 42 Ų | 42 | 64.8 Ų | 64.8 | 22% | 0.22 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.1 | -47.9 | 175.3 | -176.2 | 56.1 | 0 | 0 | 0 | 113 | R1081 N1087 M1088 Q1089 I1129 A1153 V1157 | R1081-L1085 PolarHBondContact O-N 3.21Å; L1085-N1087 VanDerWaalsContact C-N 3.34Å; L1085-N1087 PolarHBondContact O-N 2.97Å; L1085-M1088 PolarHBondContact O-N 2.89Å; L1085-M1088 VanDerWaalsContact O-N 3.17Å; L1085-Q1089 HydrophobicContact CD1-CG 4.32Å; L1085-Q1089 WeakPolarHBondContact O-CG 3.48Å; L1085-Q1089 PolarHBondContact O-N 3.37Å; L1085-I1129 HydrophobicContact CD1-CG2 4.22Å; L1085-A1153 HydrophobicContact CD1-CB 3.84Å; L1085-A1153 HydrophobicContact CD2-CB 4.26Å; L1085-V1157 HydrophobicContact CB-CG2 3.89Å; L1085-V1157 HydrophobicContact CD1-CG2 3.93Å; L1085-V1157 HydrophobicContact CG-CG2 4.45Å |
| 1086 | L | 91.4 | Very high | 90.2 | Very high | 49 Ų | 49 | 64 Ų | 64 | 26% | 0.257 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.2 | -38.1 | 179.6 | -72.7 | 168.2 | 0 | 0 | 0 | 112 | Y41 M45 M1082 R1083 D1084 M1088 Q1089 E1090 | Y41-L1086 HydrophobicContact CE1-CD2 4.23Å; M45-L1086 HydrophobicContact CE-CD1 4.31Å; M1082-L1086 HydrophobicContact CG-CD1 4.48Å; M1082-L1086 VanDerWaalsContact O-CG 3.3Å; M1082-L1086 WeakPolarHBondContact O-CG 3.21Å; M1082-L1086 PolarHBondContact O-N 2.84Å; R1083-L1086 PolarHBondContact O-N 3.04Å; D1084-L1086 PolarHBondContact O-N 3.35Å; L1086-M1088 VanDerWaalsContact C-N 3.34Å; L1086-Q1089 PolarHBondContact O-N 3.15Å; L1086-E1090 PolarHBondContact O-N 3.06Å |
| 1087 | N | 90.5 | Very high | 89.9 | Confident | 90 Ų | 90 | 60.6 Ų | 60.6 | 48% | 0.481 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.7 | -35.3 | 173.4 | -72.9 | -23.4 | 0 | 0 | 0 | 112.3 | R1083 D1084 L1085 L1091 | R1083-N1087 WeakPolarHBondContact O-CB 3.3Å; R1083-N1087 VanDerWaalsContact O-CG 3.23Å; R1083-N1087 PolarHBondContact O-N 2.92Å; R1083-N1087 PolarHBondContact O-ND2 3.4Å; D1084-N1087 PolarHBondContact O-N 3.39Å; L1085-N1087 VanDerWaalsContact C-N 3.34Å; L1085-N1087 PolarHBondContact O-N 2.97Å; N1087-L1091 WeakPolarHBondContact O-CB 3.49Å; N1087-L1091 PolarHBondContact O-N 3.23Å |
| 1088 | M | 90 | Very high | 89.6 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -71 | -41.3 | 173.2 | -63.4 | -165.6 | -166.9 | 0 | 0 | 111.8 | D1084 L1085 L1086 L1091 L1092 L1156 V1157 R1175 I1178 | D1084-M1088 WeakPolarHBondContact O-CG 3.3Å; D1084-M1088 PolarHBondContact O-N 3.41Å; D1084-M1088 WeakPolarHBondContact OD1-CE 3.31Å; L1085-M1088 PolarHBondContact O-N 2.89Å; L1085-M1088 VanDerWaalsContact O-N 3.17Å; L1086-M1088 VanDerWaalsContact C-N 3.34Å; M1088-L1091 PolarHBondContact O-N 3.24Å; M1088-L1092 VanDerWaalsContact O-CG 3.26Å; M1088-L1092 WeakPolarHBondContact O-CG 3.48Å; M1088-L1092 PolarHBondContact O-N 3.34Å; M1088-L1156 HydrophobicContact SD-CD2 3.69Å; M1088-L1156 HydrophobicContact SD-CG 3.77Å; M1088-V1157 HydrophobicContact SD-CG2 4.48Å; M1088-R1175 HydrophobicContact CE-CG 4.23Å; M1088-I1178 HydrophobicContact CG-CG2 3.94Å; M1088-I1178 HydrophobicContact SD-CD1 4.2Å; M1088-I1178 HydrophobicContact SD-CG2 4.35Å |
| 1089 | Q | 90 | Very high | 89.3 | Confident | 35 Ų | 35 | 67.6 Ų | 67.6 | 16% | 0.164 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 176.9 | -77 | 179.8 | -37.5 | 0 | 0 | 111.9 | L1085 L1086 L1091 L1092 N1093 I1129 | L1085-Q1089 HydrophobicContact CD1-CG 4.32Å; L1085-Q1089 WeakPolarHBondContact O-CG 3.48Å; L1085-Q1089 PolarHBondContact O-N 3.37Å; L1086-Q1089 PolarHBondContact O-N 3.15Å; Q1089-L1091 VanDerWaalsContact C-N 3.34Å; Q1089-L1091 PolarHBondContact O-N 3.15Å; Q1089-L1092 PolarHBondContact O-N 3.32Å; Q1089-N1093 VanDerWaalsContact O-CG 3.27Å; Q1089-N1093 PolarHBondContact O-N 2.91Å; Q1089-N1093 PolarHBondContact O-ND2 3.17Å; Q1089-I1129 HydrophobicContact CG-CG2 3.86Å |
| 1090 | E | 89.6 | Confident | 89.1 | Confident | 87 Ų | 87 | 62.5 Ų | 62.5 | 41% | 0.407 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.7 | -36.1 | 177.8 | -173.4 | 69.8 | 157.4 | 0 | 0 | 112.4 | L1086 N1093 M1094 | L1086-E1090 PolarHBondContact O-N 3.06Å; E1090-N1093 WeakPolarHBondContact O-CB 3.46Å; E1090-N1093 PolarHBondContact O-N 3.15Å; E1090-N1093 PolarHBondContact OE2-ND2 2.93Å; E1090-M1094 WeakPolarHBondContact O-CB 3.4Å; E1090-M1094 VanDerWaalsContact O-CG 3.29Å; E1090-M1094 WeakPolarHBondContact O-CG 3.41Å; E1090-M1094 PolarHBondContact O-N 3.33Å |
| 1091 | L | 90.1 | Very high | 88.9 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.4 | -41.3 | 173.1 | -177.8 | 155.4 | 0 | 0 | 0 | 112.1 | N1087 M1088 Q1089 M1094 L1095 I1178 I1181 Q1182 Y1187 | N1087-L1091 WeakPolarHBondContact O-CB 3.49Å; N1087-L1091 PolarHBondContact O-N 3.23Å; M1088-L1091 PolarHBondContact O-N 3.24Å; Q1089-L1091 VanDerWaalsContact C-N 3.34Å; Q1089-L1091 PolarHBondContact O-N 3.15Å; L1091-M1094 PolarHBondContact O-N 3.3Å; L1091-L1095 HydrophobicContact CD2-CD1 3.85Å; L1091-L1095 WeakPolarHBondContact O-CG 3.25Å; L1091-L1095 PolarHBondContact O-N 3.07Å; L1091-L1095 VanDerWaalsContact O-N 3.14Å; L1091-I1178 HydrophobicContact CD1-CG2 3.93Å; L1091-I1178 HydrophobicContact CD2-CG2 4.23Å; L1091-I1181 HydrophobicContact CD1-CB 3.93Å; L1091-I1181 HydrophobicContact CD1-CG2 3.55Å; L1091-I1181 HydrophobicContact CD2-CB 4.45Å; L1091-I1181 HydrophobicContact CD2-CD1 4.06Å; L1091-I1181 HydrophobicContact CD2-CG2 4.05Å; L1091-I1181 HydrophobicContact CG-CG2 3.82Å; L1091-Q1182 HydrophobicContact CD1-CB 4.44Å; L1091-Q1182 HydrophobicContact CD1-CG 3.39Å; L1091-Y1187 HydrophobicContact CB-CE2 3.89Å; L1091-Y1187 HydrophobicContact CD1-CD2 4.32Å; L1091-Y1187 HydrophobicContact CD1-CE2 3.88Å; L1091-Y1187 HydrophobicContact CG-CD2 4.43Å; L1091-Y1187 HydrophobicContact CG-CE2 3.84Å |
| 1092 | L | 91.1 | Very high | 88.5 | Confident | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69 | -40.1 | 176 | -67.3 | 168.7 | 0 | 0 | 0 | 111.7 | M1088 Q1089 M1094 L1095 L1122 Y1126 I1129 | M1088-L1092 VanDerWaalsContact O-CG 3.26Å; M1088-L1092 WeakPolarHBondContact O-CG 3.48Å; M1088-L1092 PolarHBondContact O-N 3.34Å; Q1089-L1092 PolarHBondContact O-N 3.32Å; L1092-M1094 VanDerWaalsContact C-N 3.31Å; L1092-M1094 PolarHBondContact O-N 2.98Å; L1092-L1095 HydrophobicContact CD2-CD1 4.39Å; L1092-L1095 PolarHBondContact O-N 3.48Å; L1092-L1122 HydrophobicContact CD2-CB 4.05Å; L1092-L1122 HydrophobicContact CD2-CD2 3.82Å; L1092-Y1126 HydrophobicContact CB-CD2 3.63Å; L1092-Y1126 HydrophobicContact CB-CE2 4.44Å; L1092-Y1126 HydrophobicContact CB-CG 4.23Å; L1092-I1129 HydrophobicContact CD1-CD1 4.46Å |
| 1093 | N | 88.7 | Confident | 88.3 | Confident | 49 Ų | 49 | 56.4 Ų | 56.4 | 26% | 0.262 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -53.7 | -48.9 | 169.1 | -70.1 | -26.9 | 0 | 0 | 0 | 110.8 | Q1089 E1090 L1095 G1096 Y1126 | Q1089-N1093 VanDerWaalsContact O-CG 3.27Å; Q1089-N1093 PolarHBondContact O-N 2.91Å; Q1089-N1093 PolarHBondContact O-ND2 3.17Å; E1090-N1093 WeakPolarHBondContact O-CB 3.46Å; E1090-N1093 PolarHBondContact O-N 3.15Å; E1090-N1093 PolarHBondContact OE2-ND2 2.93Å; N1093-L1095 VanDerWaalsContact C-N 3.3Å; N1093-L1095 PolarHBondContact O-N 3.19Å; N1093-G1096 PolarHBondContact O-N 2.85Å; N1093-Y1126 WeakPolarHBondContact OD1-CE2 3.19Å; N1093-Y1126 PolarHBondContact OD1-OH 3.48Å |
| 1094 | M | 86.7 | Confident | 88.1 | Confident | 50 Ų | 50 | 48.7 Ų | 48.7 | 25% | 0.246 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.4 | -31.9 | -177.6 | -78.3 | -58.8 | -34.1 | 0 | 0 | 113.3 | E1090 L1091 L1092 G1096 S1097 V1100 | E1090-M1094 WeakPolarHBondContact O-CB 3.4Å; E1090-M1094 VanDerWaalsContact O-CG 3.29Å; E1090-M1094 WeakPolarHBondContact O-CG 3.41Å; E1090-M1094 PolarHBondContact O-N 3.33Å; L1091-M1094 PolarHBondContact O-N 3.3Å; L1092-M1094 VanDerWaalsContact C-N 3.31Å; L1092-M1094 PolarHBondContact O-N 2.98Å; M1094-G1096 PolarHBondContact O-N 2.87Å; M1094-S1097 PolarHBondContact O-N 3.34Å; M1094-V1100 HydrophobicContact CE-CG2 3.77Å; M1094-V1100 WeakPolarHBondContact O-CB 3.45Å; M1094-V1100 WeakPolarHBondContact O-CG1 3.29Å |
| 1095 | L | 87.7 | Confident | 87.9 | Confident | 8 Ų | 8 | 50.8 Ų | 50.8 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -70 | -15.5 | 174.8 | -72.8 | 170 | 0 | 0 | 0 | 113.7 | L1091 L1092 N1093 S1097 V1100 F1104 L1122 I1181 | L1091-L1095 HydrophobicContact CD2-CD1 3.85Å; L1091-L1095 WeakPolarHBondContact O-CG 3.25Å; L1091-L1095 PolarHBondContact O-N 3.07Å; L1091-L1095 VanDerWaalsContact O-N 3.14Å; L1092-L1095 HydrophobicContact CD2-CD1 4.39Å; L1092-L1095 PolarHBondContact O-N 3.48Å; N1093-L1095 VanDerWaalsContact C-N 3.3Å; N1093-L1095 PolarHBondContact O-N 3.19Å; L1095-S1097 PolarHBondContact O-N 3.33Å; L1095-V1100 HydrophobicContact CD2-CG1 4.43Å; L1095-F1104 HydrophobicContact CD2-CD2 3.5Å; L1095-F1104 HydrophobicContact CD2-CE2 3.87Å; L1095-F1104 HydrophobicContact CD2-CG 4.23Å; L1095-L1122 HydrophobicContact CD1-CB 4.27Å; L1095-L1122 HydrophobicContact CD1-CD1 3.88Å; L1095-I1181 HydrophobicContact CD1-CD1 4.24Å |
| 1096 | G | 84.3 | Confident | 87.6 | Confident | 61 Ų | 61 | 54.2 Ų | 54.2 | 63% | 0.629 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -14.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | N1093 M1094 | N1093-G1096 PolarHBondContact O-N 2.85Å; M1094-G1096 PolarHBondContact O-N 2.87Å |
| 1097 | S | 85.4 | Confident | 87.3 | Confident | 49 Ų | 49 | 53.3 Ų | 53.3 | 34% | 0.343 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -79.4 | 121.9 | 172.6 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | M1094 L1095 D1099 V1100 R1101 | M1094-S1097 PolarHBondContact O-N 3.34Å; L1095-S1097 PolarHBondContact O-N 3.33Å; S1097-D1099 VanDerWaalsContact C-N 3.26Å; S1097-D1099 PolarHBondContact O-N 3.32Å; S1097-V1100 WeakPolarHBondContact O-CB 3.33Å; S1097-V1100 PolarHBondContact O-N 3.42Å; S1097-V1100 VanDerWaalsContact O-N 3.09Å; S1097-R1101 WeakPolarHBondContact O-CB 3.47Å; S1097-R1101 PolarHBondContact O-N 3.02Å |
| 1098 | E | 84.1 | Confident | 86.9 | Confident | 153 Ų | 153 | 52.8 Ų | 52.8 | 72% | 0.715 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -55.5 | -37.8 | 180 | -67.8 | -171.7 | -175 | 0 | 0 | 113.5 | R1101 R1102 | E1098-R1101 PolarHBondContact O-N 2.94Å; E1098-R1102 WeakPolarHBondContact O-CB 3.33Å; E1098-R1102 PolarHBondContact O-N 2.96Å |
| 1099 | D | 84.1 | Confident | 86.4 | Confident | 92 Ų | 92 | 57.8 Ų | 57.8 | 49% | 0.492 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -70 | -40 | 178.1 | -67.2 | -45.7 | 0 | 0 | 0 | 111.8 | S1097 R1102 N1103 | S1097-D1099 VanDerWaalsContact C-N 3.26Å; S1097-D1099 PolarHBondContact O-N 3.32Å; D1099-R1102 PolarHBondContact O-N 3.23Å; D1099-R1102 IonicContact OD1-CZ 3.22Å; D1099-R1102 IonicContact OD1-NH1 2.66Å; D1099-R1102 PolarHBondContact OD1-NH1 3.39Å; D1099-R1102 IonicContact OD1-NH2 2.82Å; D1099-R1102 PolarHBondContact OD1-NH2 2.95Å; D1099-N1103 PolarHBondContact O-N 2.79Å; D1099-N1103 VanDerWaalsContact O-N 3.08Å; D1099-N1103 PolarHBondContact O-ND2 3.06Å |
| 1100 | V | 86 | Confident | 85.9 | Confident | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.024 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 173.4 | 172.4 | 0 | 0 | 0 | 0 | 110.1 | M1094 L1095 S1097 R1102 N1103 F1104 F1186 | M1094-V1100 HydrophobicContact CE-CG2 3.77Å; M1094-V1100 WeakPolarHBondContact O-CB 3.45Å; M1094-V1100 WeakPolarHBondContact O-CG1 3.29Å; L1095-V1100 HydrophobicContact CD2-CG1 4.43Å; S1097-V1100 WeakPolarHBondContact O-CB 3.33Å; S1097-V1100 PolarHBondContact O-N 3.42Å; S1097-V1100 VanDerWaalsContact O-N 3.09Å; V1100-R1102 VanDerWaalsContact C-N 3.32Å; V1100-R1102 PolarHBondContact O-N 3.4Å; V1100-N1103 WeakPolarHBondContact O-CB 3.46Å; V1100-N1103 PolarHBondContact O-N 3.41Å; V1100-F1104 HydrophobicContact CG1-CD2 3.78Å; V1100-F1104 HydrophobicContact CG1-CE2 3.61Å; V1100-F1104 VanDerWaalsContact O-CD2 3.26Å; V1100-F1104 WeakPolarHBondContact O-CD2 3.44Å; V1100-F1104 PolarHBondContact O-N 3.36Å; V1100-F1104 VanDerWaalsContact O-N 3.11Å; V1100-F1186 HydrophobicContact CG1-CE1 4.03Å; V1100-F1186 HydrophobicContact CG2-CE1 4.36Å; V1100-F1186 HydrophobicContact CG2-CZ 4.34Å |
| 1101 | R | 87.4 | Confident | 85.6 | Confident | 79 Ų | 79 | 53.9 Ų | 53.9 | 30% | 0.298 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.7 | -40 | 176.3 | -171 | 168.8 | -125.2 | -114.3 | -13.7 | 112.3 | S1097 E1098 F1104 T1105 L1119 D1123 | S1097-R1101 WeakPolarHBondContact O-CB 3.47Å; S1097-R1101 PolarHBondContact O-N 3.02Å; E1098-R1101 PolarHBondContact O-N 2.94Å; R1101-F1104 PolarHBondContact O-N 2.92Å; R1101-T1105 WeakPolarHBondContact O-CB 3.42Å; R1101-T1105 PolarHBondContact O-N 3.46Å; R1101-T1105 PolarHBondContact O-OG1 3.47Å; R1101-L1119 PolarHBondContact NH2-O 3.38Å; R1101-D1123 IonicContact CZ-OD1 3.47Å; R1101-D1123 IonicContact CZ-OD2 3.45Å; R1101-D1123 IonicContact NE-OD1 3.94Å; R1101-D1123 IonicContact NH1-OD2 3.64Å; R1101-D1123 IonicContact NH2-OD1 2.65Å; R1101-D1123 PolarHBondContact NH2-OD1 3.48Å; R1101-D1123 IonicContact NH2-OD2 2.64Å; R1101-D1123 PolarHBondContact NH2-OD2 3.49Å |
| 1102 | R | 84.8 | Confident | 85.4 | Confident | 109 Ų | 109 | 56.6 Ų | 56.6 | 41% | 0.411 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.7 | -47 | 174.2 | -165.3 | -179 | -51.4 | 110.7 | 12.5 | 111.5 | E1098 D1099 V1100 F1104 T1105 E1106 | E1098-R1102 WeakPolarHBondContact O-CB 3.33Å; E1098-R1102 PolarHBondContact O-N 2.96Å; D1099-R1102 PolarHBondContact O-N 3.23Å; D1099-R1102 IonicContact OD1-CZ 3.22Å; D1099-R1102 IonicContact OD1-NH1 2.66Å; D1099-R1102 PolarHBondContact OD1-NH1 3.39Å; D1099-R1102 IonicContact OD1-NH2 2.82Å; D1099-R1102 PolarHBondContact OD1-NH2 2.95Å; V1100-R1102 VanDerWaalsContact C-N 3.32Å; V1100-R1102 PolarHBondContact O-N 3.4Å; R1102-F1104 VanDerWaalsContact C-N 3.34Å; R1102-F1104 PolarHBondContact O-N 3.37Å; R1102-T1105 PolarHBondContact O-N 2.84Å; R1102-T1105 VanDerWaalsContact O-N 3.1Å; R1102-E1106 WeakPolarHBondContact CD-OE1 3.41Å; R1102-E1106 HydrophobicContact CG-CG 4.24Å; R1102-E1106 WeakPolarHBondContact CG-OE1 3.32Å; R1102-E1106 WeakPolarHBondContact O-CB 3.47Å; R1102-E1106 PolarHBondContact O-N 3.17Å |
| 1103 | N | 86.5 | Confident | 85.2 | Confident | 23 Ų | 23 | 59.8 Ų | 59.8 | 12% | 0.123 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -56.8 | -44.2 | 176 | -76.7 | -83.9 | 0 | 0 | 0 | 112.4 | D1099 V1100 G1107 I1108 N1109 A1111 F1186 | D1099-N1103 PolarHBondContact O-N 2.79Å; D1099-N1103 VanDerWaalsContact O-N 3.08Å; D1099-N1103 PolarHBondContact O-ND2 3.06Å; V1100-N1103 WeakPolarHBondContact O-CB 3.46Å; V1100-N1103 PolarHBondContact O-N 3.41Å; N1103-G1107 WeakPolarHBondContact O-CA 3.47Å; N1103-G1107 PolarHBondContact O-N 2.95Å; N1103-I1108 PolarHBondContact O-N 3.24Å; N1103-I1108 VanDerWaalsContact O-N 3.12Å; N1103-N1109 PolarHBondContact OD1-ND2 2.85Å; N1103-A1111 HydrophobicContact CB-CB 4.19Å; N1103-A1111 WeakPolarHBondContact O-CB 3.44Å; N1103-F1186 HydrophobicContact CB-CD2 4.31Å; N1103-F1186 HydrophobicContact CB-CE2 3.78Å; N1103-F1186 HydrophobicContact CB-CZ 3.9Å; N1103-F1186 VanDerWaalsContact CG-CE2 3.49Å |
| 1104 | F | 88.2 | Confident | 85.2 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.018 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -72.3 | -26.9 | 176 | -74.7 | -67 | 0 | 0 | 0 | 114.3 | L1095 V1100 R1101 R1102 A1111 A1113 I1114 I1181 F1186 | L1095-F1104 HydrophobicContact CD2-CD2 3.5Å; L1095-F1104 HydrophobicContact CD2-CE2 3.87Å; L1095-F1104 HydrophobicContact CD2-CG 4.23Å; V1100-F1104 HydrophobicContact CG1-CD2 3.78Å; V1100-F1104 HydrophobicContact CG1-CE2 3.61Å; V1100-F1104 VanDerWaalsContact O-CD2 3.26Å; V1100-F1104 WeakPolarHBondContact O-CD2 3.44Å; V1100-F1104 PolarHBondContact O-N 3.36Å; V1100-F1104 VanDerWaalsContact O-N 3.11Å; R1101-F1104 PolarHBondContact O-N 2.92Å; R1102-F1104 VanDerWaalsContact C-N 3.34Å; R1102-F1104 PolarHBondContact O-N 3.37Å; F1104-A1111 HydrophobicContact CD1-CB 3.7Å; F1104-A1111 HydrophobicContact CE1-CB 3.83Å; F1104-A1111 HydrophobicContact CG-CB 4.22Å; F1104-A1111 HydrophobicContact CZ-CB 4.46Å; F1104-A1113 WeakPolarHBondContact O-CA 3.49Å; F1104-I1114 HydrophobicContact CB-CD1 3.87Å; F1104-I1114 HydrophobicContact CB-CG1 4.09Å; F1104-I1114 HydrophobicContact CD1-CD1 3.68Å; F1104-I1114 HydrophobicContact CD1-CG1 4.13Å; F1104-I1114 HydrophobicContact CG-CD1 3.95Å; F1104-I1114 HydrophobicContact CG-CG1 4.5Å; F1104-I1114 PolarHBondContact O-N 3.37Å; F1104-I1181 HydrophobicContact CE1-CB 4.47Å; F1104-I1181 HydrophobicContact CE1-CG1 4.22Å; F1104-I1181 HydrophobicContact CE1-CG2 3.86Å; F1104-I1181 HydrophobicContact CE2-CG2 4.37Å; F1104-I1181 HydrophobicContact CZ-CG2 3.61Å; F1104-F1186 AromaticContact CE2-CD1 3.98Å; F1104-F1186 HydrophobicContact CE2-CD1 3.98Å; F1104-F1186 HydrophobicContact CE2-CE1 4.05Å; F1104-F1186 AromaticContact CZ-CD1 3.84Å; F1104-F1186 HydrophobicContact CZ-CD1 3.84Å; F1104-F1186 HydrophobicContact CZ-CE1 4.38Å |
| 1105 | T | 87.2 | Confident | 85.3 | Confident | 76 Ų | 76 | 58.4 Ų | 58.4 | 47% | 0.466 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -76.6 | -37.6 | 176 | -52.1 | 0 | 0 | 0 | 0 | 111.5 | R1101 R1102 L1119 | R1101-T1105 WeakPolarHBondContact O-CB 3.42Å; R1101-T1105 PolarHBondContact O-N 3.46Å; R1101-T1105 PolarHBondContact O-OG1 3.47Å; R1102-T1105 PolarHBondContact O-N 2.84Å; R1102-T1105 VanDerWaalsContact O-N 3.1Å; T1105-L1119 WeakPolarHBondContact OG1-CD1 3.31Å |
| 1106 | E | 85.4 | Confident | 85.2 | Confident | 115 Ų | 115 | 62.8 Ų | 62.8 | 54% | 0.537 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -96.2 | -13.5 | -175.1 | -63.2 | 172.6 | 179.9 | 0 | 0 | 113.3 | R1102 I1108 | R1102-E1106 WeakPolarHBondContact CD-OE1 3.41Å; R1102-E1106 HydrophobicContact CG-CG 4.24Å; R1102-E1106 WeakPolarHBondContact CG-OE1 3.32Å; R1102-E1106 WeakPolarHBondContact O-CB 3.47Å; R1102-E1106 PolarHBondContact O-N 3.17Å; E1106-I1108 HydrophobicContact CB-CD1 3.72Å; E1106-I1108 HydrophobicContact CB-CG1 3.75Å; E1106-I1108 WeakPolarHBondContact OE2-CD1 3.36Å |
| 1107 | G | 85.4 | Confident | 85.4 | Confident | 30 Ų | 30 | 66.4 Ų | 66.4 | 31% | 0.309 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 25.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | N1103 A1111 | N1103-G1107 WeakPolarHBondContact O-CA 3.47Å; N1103-G1107 PolarHBondContact O-N 2.95Å; G1107-A1111 CarbonylContact C-O 3.57Å |
| 1108 | I | 82.5 | Confident | 85.6 | Confident | 78 Ų | 78 | 66.1 Ų | 66.1 | 40% | 0.4 | 37% | 0.368 | S | S | . | . | | | trans | -94.3 | 159.3 | -169.9 | -57.5 | -177 | 0 | 0 | 0 | 111.1 | N1103 E1106 G1110 A1111 | N1103-I1108 PolarHBondContact O-N 3.24Å; N1103-I1108 VanDerWaalsContact O-N 3.12Å; E1106-I1108 HydrophobicContact CB-CD1 3.72Å; E1106-I1108 HydrophobicContact CB-CG1 3.75Å; E1106-I1108 WeakPolarHBondContact OE2-CD1 3.36Å; I1108-G1110 PolarHBondContact O-N 3.25Å; I1108-G1110 VanDerWaalsContact O-N 3.11Å; I1108-A1111 VanDerWaalsContact O-CB 3.3Å; I1108-A1111 WeakPolarHBondContact O-CB 3.46Å; I1108-A1111 PolarHBondContact O-N 2.94Å |
| 1109 | N | 79.5 | Confident | 85.8 | Confident | 106 Ų | 106 | 59.1 Ų | 59.1 | 57% | 0.567 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 20.4 | 176.9 | -64.2 | -45.7 | 0 | 0 | 0 | 115.6 | N1103 F1186 R1189 | N1103-N1109 PolarHBondContact OD1-ND2 2.85Å; N1109-F1186 HydrophobicContact CB-CD2 3.8Å; N1109-F1186 HydrophobicContact CB-CE2 4.16Å; N1109-R1189 PolarHBondContact O-NH2 3.47Å |
| 1110 | G | 79 | Confident | 86.1 | Confident | 33 Ų | 33 | 57.3 Ų | 57.3 | 34% | 0.34 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84 | 18.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | I1108 E1185 F1186 | I1108-G1110 PolarHBondContact O-N 3.25Å; I1108-G1110 VanDerWaalsContact O-N 3.11Å; G1110-E1185 PolarHBondContact O-N 2.94Å; G1110-F1186 PolarHBondContact O-N 3.08Å; G1110-F1186 VanDerWaalsContact O-N 3.1Å |
| 1111 | A | 83.4 | Confident | 86.3 | Confident | 8 Ų | 8 | 57.4 Ų | 57.4 | 7% | 0.066 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 143.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110 | N1103 F1104 G1107 I1108 F1186 | N1103-A1111 HydrophobicContact CB-CB 4.19Å; N1103-A1111 WeakPolarHBondContact O-CB 3.44Å; F1104-A1111 HydrophobicContact CD1-CB 3.7Å; F1104-A1111 HydrophobicContact CE1-CB 3.83Å; F1104-A1111 HydrophobicContact CG-CB 4.22Å; F1104-A1111 HydrophobicContact CZ-CB 4.46Å; G1107-A1111 CarbonylContact C-O 3.57Å; I1108-A1111 VanDerWaalsContact O-CB 3.3Å; I1108-A1111 WeakPolarHBondContact O-CB 3.46Å; I1108-A1111 PolarHBondContact O-N 2.94Å; A1111-F1186 HydrophobicContact CB-CB 3.91Å; A1111-F1186 HydrophobicContact CB-CD2 4.48Å; A1111-F1186 HydrophobicContact CB-CG 4.08Å |
| 1112 | V | 87 | Confident | 86.5 | Confident | 57 Ų | 57 | 53.8 Ų | 53.8 | 35% | 0.345 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 135.2 | 169 | 170.9 | 0 | 0 | 0 | 0 | 108.4 | I1114 C1184 | V1112-I1114 WeakPolarHBondContact O-CG1 3.44Å; V1112-I1114 PolarHBondContact O-N 3.42Å; V1112-C1184 HydrophobicContact CG2-CB 3.77Å |
| 1113 | A | 87 | Confident | 86.8 | Confident | 72 Ų | 72 | 51.3 Ų | 51.3 | 60% | 0.595 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -70 | 120.1 | 174 | 0 | 0 | 0 | 0 | 0 | 110.6 | F1104 | F1104-A1113 WeakPolarHBondContact O-CA 3.49Š|
| 1114 | I | 87.4 | Confident | 86.9 | Confident | 15 Ų | 15 | 52 Ų | 52 | 8% | 0.077 | 32% | 0.317 | C | S | . | . | | | trans | -108.9 | 135.8 | -176.1 | -47.3 | -172.6 | 0 | 0 | 0 | 109.5 | F1104 V1112 N1118 L1119 V1177 I1181 | F1104-I1114 HydrophobicContact CB-CD1 3.87Å; F1104-I1114 HydrophobicContact CB-CG1 4.09Å; F1104-I1114 HydrophobicContact CD1-CD1 3.68Å; F1104-I1114 HydrophobicContact CD1-CG1 4.13Å; F1104-I1114 HydrophobicContact CG-CD1 3.95Å; F1104-I1114 HydrophobicContact CG-CG1 4.5Å; F1104-I1114 PolarHBondContact O-N 3.37Å; V1112-I1114 WeakPolarHBondContact O-CG1 3.44Å; V1112-I1114 PolarHBondContact O-N 3.42Å; I1114-N1118 HydrophobicContact CG2-CB 3.51Å; I1114-L1119 HydrophobicContact CB-CD1 4.48Å; I1114-L1119 HydrophobicContact CB-CD2 4.18Å; I1114-L1119 HydrophobicContact CB-CG 4.05Å; I1114-L1119 HydrophobicContact CD1-CD2 4.21Å; I1114-L1119 HydrophobicContact CG2-CD2 4.1Å; I1114-L1119 HydrophobicContact CG2-CG 3.85Å; I1114-V1177 HydrophobicContact CG2-CG1 4.45Å; I1114-I1181 HydrophobicContact CD1-CD1 3.6Å; I1114-I1181 HydrophobicContact CD1-CG1 3.64Å |
| 1115 | S | 88.6 | Confident | 87.1 | Confident | 55 Ų | 55 | 51.9 Ų | 51.9 | 39% | 0.385 | 32% | 0.316 | S | S | . | . | | | trans | -65 | 149.1 | 173.3 | 64.9 | 0 | 0 | 0 | 0 | 111.6 | E1117 N1118 L1119 | S1115-E1117 PolarHBondContact O-N 2.96Å; S1115-N1118 PolarHBondContact O-N 3.42Å; S1115-N1118 WeakPolarHBondContact OG-CB 3.38Å; S1115-N1118 VanDerWaalsContact OG-CG 3.3Å; S1115-N1118 PolarHBondContact OG-N 2.76Å; S1115-N1118 PolarHBondContact OG-ND2 2.92Å; S1115-L1119 PolarHBondContact O-N 3.49Å |
| 1116 | S | 86.4 | Confident | 87.3 | Confident | 99 Ų | 99 | 51.8 Ų | 51.8 | 69% | 0.692 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -59 | -31.1 | 175.3 | 49.3 | 0 | 0 | 0 | 0 | 113.1 | L1119 A1120 | S1116-L1119 PolarHBondContact O-N 2.91Å; S1116-A1120 WeakPolarHBondContact O-CB 3.21Å; S1116-A1120 PolarHBondContact O-N 3.17Å |
| 1117 | E | 88.1 | Confident | 87.4 | Confident | 137 Ų | 137 | 52.4 Ų | 52.4 | 64% | 0.64 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -64.6 | -43.9 | 172.1 | -174.9 | 175.6 | -165.1 | 0 | 0 | 112 | S1115 A1120 L1121 | S1115-E1117 PolarHBondContact O-N 2.96Å; E1117-A1120 PolarHBondContact O-N 3.37Å; E1117-L1121 WeakPolarHBondContact O-CB 3.49Å; E1117-L1121 PolarHBondContact O-N 3.34Å |
| 1118 | N | 90.2 | Very high | 87.6 | Confident | 43 Ų | 43 | 53.6 Ų | 53.6 | 23% | 0.23 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69.7 | -34.7 | 176.1 | -77.2 | -8.1 | 0 | 0 | 0 | 111.9 | I1114 S1115 L1121 L1122 V1177 | I1114-N1118 HydrophobicContact CG2-CB 3.51Å; S1115-N1118 PolarHBondContact O-N 3.42Å; S1115-N1118 WeakPolarHBondContact OG-CB 3.38Å; S1115-N1118 VanDerWaalsContact OG-CG 3.3Å; S1115-N1118 PolarHBondContact OG-N 2.76Å; S1115-N1118 PolarHBondContact OG-ND2 2.92Å; N1118-L1121 WeakPolarHBondContact O-CB 3.22Å; N1118-L1121 PolarHBondContact O-N 3.12Å; N1118-L1122 VanDerWaalsContact O-CG 3.27Å; N1118-L1122 WeakPolarHBondContact O-CG 3.11Å; N1118-L1122 PolarHBondContact O-N 2.8Å; N1118-V1177 HydrophobicContact CB-CG1 4.41Å |
| 1119 | L | 88.9 | Confident | 87.9 | Confident | 6 Ų | 6 | 50.5 Ų | 50.5 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.7 | -42.1 | 173.2 | -73 | 171.4 | 0 | 0 | 0 | 111.8 | R1101 T1105 I1114 S1115 S1116 L1121 L1122 D1123 | R1101-L1119 PolarHBondContact NH2-O 3.38Å; T1105-L1119 WeakPolarHBondContact OG1-CD1 3.31Å; I1114-L1119 HydrophobicContact CB-CD1 4.48Å; I1114-L1119 HydrophobicContact CB-CD2 4.18Å; I1114-L1119 HydrophobicContact CB-CG 4.05Å; I1114-L1119 HydrophobicContact CD1-CD2 4.21Å; I1114-L1119 HydrophobicContact CG2-CD2 4.1Å; I1114-L1119 HydrophobicContact CG2-CG 3.85Å; S1115-L1119 PolarHBondContact O-N 3.49Å; S1116-L1119 PolarHBondContact O-N 2.91Å; L1119-L1121 VanDerWaalsContact C-N 3.35Å; L1119-L1121 PolarHBondContact O-N 3.26Å; L1119-L1122 PolarHBondContact O-N 2.73Å; L1119-D1123 PolarHBondContact O-N 3.11Å |
| 1120 | A | 88.9 | Confident | 88.2 | Confident | 54 Ų | 54 | 47.2 Ų | 47.2 | 45% | 0.446 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.4 | -34 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1116 E1117 L1122 D1123 Y1124 | S1116-A1120 WeakPolarHBondContact O-CB 3.21Å; S1116-A1120 PolarHBondContact O-N 3.17Å; E1117-A1120 PolarHBondContact O-N 3.37Å; A1120-L1122 VanDerWaalsContact C-N 3.33Å; A1120-D1123 PolarHBondContact O-N 2.82Å; A1120-Y1124 PolarHBondContact O-N 3.34Å |
| 1121 | L | 90.8 | Very high | 88.6 | Confident | 6 Ų | 6 | 47.1 Ų | 47.1 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.8 | -39.2 | 170.5 | 172.6 | 67.6 | 0 | 0 | 0 | 111.9 | E1117 N1118 L1119 Y1124 L1125 V1164 T1167 V1169 A1174 | E1117-L1121 WeakPolarHBondContact O-CB 3.49Å; E1117-L1121 PolarHBondContact O-N 3.34Å; N1118-L1121 WeakPolarHBondContact O-CB 3.22Å; N1118-L1121 PolarHBondContact O-N 3.12Å; L1119-L1121 VanDerWaalsContact C-N 3.35Å; L1119-L1121 PolarHBondContact O-N 3.26Å; L1121-Y1124 PolarHBondContact O-N 3.28Å; L1121-L1125 HydrophobicContact CD1-CD1 4.14Å; L1121-L1125 HydrophobicContact CD1-CG 4.45Å; L1121-L1125 HydrophobicContact CG-CD1 4.09Å; L1121-L1125 WeakPolarHBondContact O-CB 3.23Å; L1121-L1125 VanDerWaalsContact O-CG 3.31Å; L1121-L1125 WeakPolarHBondContact O-CG 3.17Å; L1121-L1125 PolarHBondContact O-N 2.9Å; L1121-V1164 HydrophobicContact CD1-CB 4.2Å; L1121-V1164 HydrophobicContact CD1-CG1 4.01Å; L1121-V1164 HydrophobicContact CD1-CG2 4.31Å; L1121-T1167 HydrophobicContact CD1-CG2 3.88Å; L1121-V1169 HydrophobicContact CD1-CB 4.38Å; L1121-V1169 HydrophobicContact CD2-CB 3.94Å; L1121-V1169 HydrophobicContact CD2-CG1 3.57Å; L1121-V1169 HydrophobicContact CD2-CG2 4.24Å; L1121-A1174 HydrophobicContact CD2-CB 4.1Å |
| 1122 | L | 91.4 | Very high | 88.7 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.9 | -38.6 | 176.7 | -68 | 164.2 | 0 | 0 | 0 | 111.6 | L1092 L1095 N1118 L1119 A1120 Y1124 L1125 Y1126 V1177 I1178 I1181 | L1092-L1122 HydrophobicContact CD2-CB 4.05Å; L1092-L1122 HydrophobicContact CD2-CD2 3.82Å; L1095-L1122 HydrophobicContact CD1-CB 4.27Å; L1095-L1122 HydrophobicContact CD1-CD1 3.88Å; N1118-L1122 VanDerWaalsContact O-CG 3.27Å; N1118-L1122 WeakPolarHBondContact O-CG 3.11Å; N1118-L1122 PolarHBondContact O-N 2.8Å; L1119-L1122 PolarHBondContact O-N 2.73Å; A1120-L1122 VanDerWaalsContact C-N 3.33Å; L1122-Y1124 VanDerWaalsContact C-N 3.35Å; L1122-Y1124 PolarHBondContact O-N 2.94Å; L1122-L1125 PolarHBondContact O-N 2.92Å; L1122-Y1126 WeakPolarHBondContact O-CB 3.28Å; L1122-Y1126 PolarHBondContact O-N 3.36Å; L1122-V1177 HydrophobicContact CD1-CG1 4.04Å; L1122-I1178 HydrophobicContact CD2-CD1 4.04Å; L1122-I1178 HydrophobicContact CD2-CG1 3.59Å; L1122-I1181 HydrophobicContact CD1-CD1 3.8Å |
| 1123 | D | 90.4 | Very high | 88.5 | Confident | 57 Ų | 57 | 51.5 Ų | 51.5 | 31% | 0.305 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.3 | -45.6 | 172.1 | -60.6 | -22.2 | 0 | 0 | 0 | 111.6 | R1101 L1119 A1120 Y1126 Q1127 | R1101-D1123 IonicContact CZ-OD1 3.47Å; R1101-D1123 IonicContact CZ-OD2 3.45Å; R1101-D1123 IonicContact NE-OD1 3.94Å; R1101-D1123 IonicContact NH1-OD2 3.64Å; R1101-D1123 IonicContact NH2-OD1 2.65Å; R1101-D1123 PolarHBondContact NH2-OD1 3.48Å; R1101-D1123 IonicContact NH2-OD2 2.64Å; R1101-D1123 PolarHBondContact NH2-OD2 3.49Å; L1119-D1123 PolarHBondContact O-N 3.11Å; A1120-D1123 PolarHBondContact O-N 2.82Å; D1123-Y1126 WeakPolarHBondContact O-CB 3.44Å; D1123-Y1126 PolarHBondContact O-N 3.15Å; D1123-Q1127 WeakPolarHBondContact O-CG 3.4Å; D1123-Q1127 PolarHBondContact O-N 3.46Å |
| 1124 | Y | 90.1 | Very high | 88.2 | Confident | 39 Ų | 39 | 52.8 Ų | 52.8 | 15% | 0.153 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.6 | -44 | 178.2 | 178.8 | -94.3 | 0 | 0 | 0 | 112 | A1120 L1121 L1122 Y1126 Q1127 K1128 V1164 P1165 T1166 | A1120-Y1124 PolarHBondContact O-N 3.34Å; L1121-Y1124 PolarHBondContact O-N 3.28Å; L1122-Y1124 VanDerWaalsContact C-N 3.35Å; L1122-Y1124 PolarHBondContact O-N 2.94Å; Y1124-Y1126 VanDerWaalsContact C-N 3.34Å; Y1124-Q1127 PolarHBondContact O-N 2.85Å; Y1124-K1128 HydrophobicContact CD1-CG 4.5Å; Y1124-K1128 HydrophobicContact CE1-CG 3.94Å; Y1124-K1128 HydrophobicContact CE2-CG 4.32Å; Y1124-K1128 WeakPolarHBondContact O-CB 3.47Å; Y1124-K1128 PolarHBondContact O-N 3.46Å; Y1124-V1164 HydrophobicContact CD1-CG1 3.75Å; Y1124-V1164 HydrophobicContact CE1-CG1 3.68Å; Y1124-P1165 VanDerWaalsContact CE1-O 3.23Å; Y1124-P1165 WeakPolarHBondContact CE1-O 3.36Å; Y1124-P1165 PolarHBondContact OH-O 3.25Å; Y1124-T1166 HydrophobicContact CE2-CG2 4.1Å; Y1124-T1166 WeakPolarHBondContact CE2-OG1 3.43Å |
| 1125 | L | 91.2 | Very high | 87.7 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.3 | -36.2 | 176.1 | -73.8 | 167.5 | 0 | 0 | 0 | 111.9 | L1121 L1122 K1128 I1129 L1156 V1164 F1171 A1174 | L1121-L1125 HydrophobicContact CD1-CD1 4.14Å; L1121-L1125 HydrophobicContact CD1-CG 4.45Å; L1121-L1125 HydrophobicContact CG-CD1 4.09Å; L1121-L1125 WeakPolarHBondContact O-CB 3.23Å; L1121-L1125 VanDerWaalsContact O-CG 3.31Å; L1121-L1125 WeakPolarHBondContact O-CG 3.17Å; L1121-L1125 PolarHBondContact O-N 2.9Å; L1122-L1125 PolarHBondContact O-N 2.92Å; L1125-K1128 PolarHBondContact O-N 2.91Å; L1125-I1129 HydrophobicContact CB-CD1 4.4Å; L1125-I1129 VanDerWaalsContact O-CB 3.26Å; L1125-I1129 WeakPolarHBondContact O-CB 3.26Å; L1125-I1129 VanDerWaalsContact O-CG1 3.26Å; L1125-I1129 WeakPolarHBondContact O-CG1 3.26Å; L1125-I1129 PolarHBondContact O-N 3.4Å; L1125-L1156 HydrophobicContact CD1-CD1 4.43Å; L1125-V1164 HydrophobicContact CD2-CG1 3.82Å; L1125-V1164 HydrophobicContact CD2-CG2 4.23Å; L1125-V1164 HydrophobicContact CG-CG1 4.32Å; L1125-F1171 HydrophobicContact CD2-CE1 4.07Å; L1125-A1174 HydrophobicContact CD1-CB 3.58Å |
| 1126 | Y | 91.3 | Very high | 87.3 | Confident | 73 Ų | 73 | 57.8 Ų | 57.8 | 29% | 0.286 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.9 | -51.3 | 174 | 179.6 | -122 | 0 | 0 | 0 | 111.5 | L1092 N1093 L1122 D1123 Y1124 K1128 I1129 C1130 | L1092-Y1126 HydrophobicContact CB-CD2 3.63Å; L1092-Y1126 HydrophobicContact CB-CE2 4.44Å; L1092-Y1126 HydrophobicContact CB-CG 4.23Å; N1093-Y1126 WeakPolarHBondContact OD1-CE2 3.19Å; N1093-Y1126 PolarHBondContact OD1-OH 3.48Å; L1122-Y1126 WeakPolarHBondContact O-CB 3.28Å; L1122-Y1126 PolarHBondContact O-N 3.36Å; D1123-Y1126 WeakPolarHBondContact O-CB 3.44Å; D1123-Y1126 PolarHBondContact O-N 3.15Å; Y1124-Y1126 VanDerWaalsContact C-N 3.34Å; Y1126-K1128 VanDerWaalsContact C-N 3.28Å; Y1126-K1128 PolarHBondContact O-N 2.92Å; Y1126-I1129 PolarHBondContact O-N 2.88Å; Y1126-C1130 HydrophobicContact CD2-CB 4.11Å; Y1126-C1130 HydrophobicContact CE2-CB 3.91Å; Y1126-C1130 WeakPolarHBondContact O-CA 3.34Å; Y1126-C1130 WeakPolarHBondContact O-CB 3.44Å; Y1126-C1130 PolarHBondContact O-N 2.83Å |
| 1127 | Q | 88.9 | Confident | 86.8 | Confident | 129 Ų | 129 | 54.4 Ų | 54.4 | 60% | 0.603 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -59.1 | -37.1 | 176.5 | -69.3 | 173 | 4 | 0 | 0 | 112.8 | D1123 Y1124 | D1123-Q1127 WeakPolarHBondContact O-CG 3.4Å; D1123-Q1127 PolarHBondContact O-N 3.46Å; Y1124-Q1127 PolarHBondContact O-N 2.85Å |
| 1128 | K | 88.2 | Confident | 86.1 | Confident | 55 Ų | 55 | 55.1 Ų | 55.1 | 24% | 0.239 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -80.2 | -24.8 | -179.8 | -77.8 | -77.7 | 165.2 | 174.1 | 0 | 114.6 | Y1124 L1125 Y1126 E1148 A1149 | Y1124-K1128 HydrophobicContact CD1-CG 4.5Å; Y1124-K1128 HydrophobicContact CE1-CG 3.94Å; Y1124-K1128 HydrophobicContact CE2-CG 4.32Å; Y1124-K1128 WeakPolarHBondContact O-CB 3.47Å; Y1124-K1128 PolarHBondContact O-N 3.46Å; L1125-K1128 PolarHBondContact O-N 2.91Å; Y1126-K1128 VanDerWaalsContact C-N 3.28Å; Y1126-K1128 PolarHBondContact O-N 2.92Å; K1128-E1148 IonicContact NZ-OE1 3.48Å; K1128-E1148 PolarHBondContact NZ-OE1 3.3Å; K1128-E1148 IonicContact NZ-OE2 2.72Å; K1128-E1148 PolarHBondContact NZ-OE2 2.91Å; K1128-A1149 VanDerWaalsContact O-CA 3.23Å; K1128-A1149 WeakPolarHBondContact O-CA 3.4Å; K1128-A1149 WeakPolarHBondContact O-CB 3.44Å |
| 1129 | I | 88.7 | Confident | 85.5 | Confident | 12 Ų | 12 | 56.7 Ų | 56.7 | 6% | 0.062 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -97 | -26.4 | -179.8 | -66.9 | 169 | 0 | 0 | 0 | 111.6 | L1085 Q1089 L1092 L1125 Y1126 P1131 A1153 L1156 | L1085-I1129 HydrophobicContact CD1-CG2 4.22Å; Q1089-I1129 HydrophobicContact CG-CG2 3.86Å; L1092-I1129 HydrophobicContact CD1-CD1 4.46Å; L1125-I1129 HydrophobicContact CB-CD1 4.4Å; L1125-I1129 VanDerWaalsContact O-CB 3.26Å; L1125-I1129 WeakPolarHBondContact O-CB 3.26Å; L1125-I1129 VanDerWaalsContact O-CG1 3.26Å; L1125-I1129 WeakPolarHBondContact O-CG1 3.26Å; L1125-I1129 PolarHBondContact O-N 3.4Å; Y1126-I1129 PolarHBondContact O-N 2.88Å; I1129-P1131 WeakPolarHBondContact O-CD 3.37Å; I1129-A1153 HydrophobicContact CG1-CB 4.44Å; I1129-A1153 HydrophobicContact CG2-CB 4.42Å; I1129-L1156 HydrophobicContact CD1-CD2 3.48Å; I1129-L1156 VanDerWaalsContact CD1-CD2 3.48Å |
| 1130 | C | 87.7 | Confident | 85.2 | Confident | 38 Ų | 38 | 60.9 Ų | 60.9 | 26% | 0.257 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -122.4 | 61.2 | 177.7 | -59 | 0 | 0 | 0 | 0 | 110.7 | Y1126 S1132 | Y1126-C1130 HydrophobicContact CD2-CB 4.11Å; Y1126-C1130 HydrophobicContact CE2-CB 3.91Å; Y1126-C1130 WeakPolarHBondContact O-CA 3.34Å; Y1126-C1130 WeakPolarHBondContact O-CB 3.44Å; Y1126-C1130 PolarHBondContact O-N 2.83Å; C1130-S1132 PolarHBondContact O-N 2.89Å |
| 1131 | P | 86.4 | Confident | 85.1 | Confident | 31 Ų | 31 | 62.1 Ų | 62.1 | 20% | 0.201 | 35% | 0.353 | C | S | . | . | | | trans | -63.5 | 133.8 | -179.3 | 27.9 | -35.5 | 0 | 0 | 0 | 111.1 | I1129 W1142 I1145 A1149 | I1129-P1131 WeakPolarHBondContact O-CD 3.37Å; P1131-W1142 HydrophobicContact CB-CH2 4.39Å; P1131-W1142 HydrophobicContact CB-CZ3 4.14Å; P1131-W1142 HydrophobicContact CG-CH2 4.18Å; P1131-W1142 HydrophobicContact CG-CZ3 4.3Å; P1131-W1142 WeakPolarHBondContact O-CH2 3.5Å; P1131-I1145 HydrophobicContact CB-CG2 3.66Å; P1131-I1145 HydrophobicContact CG-CG2 4.02Å; P1131-A1149 HydrophobicContact CG-CB 4.09Å |
| 1132 | S | 85.1 | Confident | 85 | Confident | 30 Ų | 30 | 65.7 Ų | 65.7 | 21% | 0.21 | 37% | 0.366 | C | S | . | . | | | trans | -84.9 | 149.6 | 173 | -167.3 | 0 | 0 | 0 | 0 | 111.5 | C1130 D1134 D1135 | C1130-S1132 PolarHBondContact O-N 2.89Å; S1132-D1134 PolarHBondContact OG-N 3.32Å; S1132-D1134 VanDerWaalsContact OG-N 3.15Å; S1132-D1135 VanDerWaalsContact CB-OD2 3.22Å; S1132-D1135 WeakPolarHBondContact CB-OD2 3.49Å |
| 1133 | H | 83.3 | Confident | 84.9 | Confident | 127 Ų | 127 | 70.3 Ų | 70.3 | 59% | 0.588 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -73.5 | -20.7 | 166.6 | -167.9 | -60.1 | 0 | 0 | 0 | 111.4 | D1135 L1136 | H1133-D1135 VanDerWaalsContact C-N 3.29Å; H1133-D1135 PolarHBondContact O-N 3.28Å; H1133-L1136 HydrophobicContact CB-CD1 4.4Å |
| 1134 | D | 80.3 | Confident | 84.9 | Confident | 98 Ų | 98 | 72.5 Ų | 72.5 | 52% | 0.524 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -18 | 179.1 | -66 | -19.9 | 0 | 0 | 0 | 112.5 | H33 S1132 | H33-D1134 IonicContact CE1-OD1 3.66Å; H33-D1134 PolarHBondContact CE1-OD1 2.87Å; H33-D1134 IonicContact CE1-OD2 3.44Å; H33-D1134 PolarHBondContact CE1-OD2 2.95Å; H33-D1134 VanDerWaalsContact CE1-OD2 3.32Å; H33-D1134 IonicContact ND1-OD1 2.73Å; H33-D1134 IonicContact ND1-OD2 3.34Å; H33-D1134 PolarHBondContact ND1-OD2 3.36Å; S1132-D1134 PolarHBondContact OG-N 3.32Å; S1132-D1134 VanDerWaalsContact OG-N 3.15Å |
| 1135 | D | 77.5 | Confident | 84.8 | Confident | 130 Ų | 130 | 72.9 Ų | 72.9 | 70% | 0.695 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -0.1 | 177.5 | -65.1 | -47.1 | 0 | 0 | 0 | 113.6 | S1132 H1133 G1137 | S1132-D1135 VanDerWaalsContact CB-OD2 3.22Å; S1132-D1135 WeakPolarHBondContact CB-OD2 3.49Å; H1133-D1135 VanDerWaalsContact C-N 3.29Å; H1133-D1135 PolarHBondContact O-N 3.28Å; D1135-G1137 PolarHBondContact O-N 3.49Å |
| 1136 | L | 78.9 | Confident | 84.8 | Confident | 45 Ų | 45 | 76.7 Ų | 76.7 | 24% | 0.236 | 43% | 0.426 | C | S | . | . | | | trans | -71.1 | 121.7 | -176.1 | -80.6 | 168.2 | 0 | 0 | 0 | 112.8 | H1133 D1140 W1142 I1145 | H1133-L1136 HydrophobicContact CB-CD1 4.4Å; L1136-D1140 HydrophobicContact CD2-CB 3.72Å; L1136-W1142 HydrophobicContact CD1-CB 4.41Å; L1136-W1142 HydrophobicContact CD1-CD2 4.44Å; L1136-W1142 HydrophobicContact CD1-CE3 3.92Å; L1136-W1142 HydrophobicContact CD2-CE3 4.2Å; L1136-W1142 HydrophobicContact CG-CE3 4.29Å; L1136-I1145 HydrophobicContact CD2-CD1 3.43Å; L1136-I1145 VanDerWaalsContact CD2-CD1 3.43Å |
| 1137 | G | 77.7 | Confident | 84.7 | Confident | 28 Ų | 28 | 79.3 Ų | 79.3 | 29% | 0.289 | 44% | 0.441 | S | S | . | . | | | trans | -73.1 | 154 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D1135 G1139 D1140 | D1135-G1137 PolarHBondContact O-N 3.49Å; G1137-G1139 PolarHBondContact O-N 2.84Å; G1137-D1140 WeakPolarHBondContact CA-OD2 3.15Å; G1137-D1140 PolarHBondContact N-OD2 2.91Å; G1137-D1140 PolarHBondContact O-N 3.11Å |
| 1138 | P | 73.2 | Confident | 84.7 | Confident | 152 Ų | 152 | 76.7 Ų | 76.7 | 99% | 0.987 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | 88.9 | 178.1 | 29.2 | -35 | 0 | 0 | 0 | 111.2 | | |
| 1139 | G | 76.1 | Confident | 84.8 | Confident | 77 Ų | 77 | 74.5 Ų | 74.5 | 79% | 0.794 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 140.7 | -15.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | G1137 | G1137-G1139 PolarHBondContact O-N 2.84Š|
| 1140 | D | 83 | Confident | 85 | Confident | 94 Ų | 94 | 75.9 Ų | 75.9 | 50% | 0.503 | 44% | 0.438 | S | S | . | . | | | trans | -73.4 | 131.8 | -178 | -68.1 | -34.5 | 0 | 0 | 0 | 112 | L1136 G1137 W1142 I1145 | L1136-D1140 HydrophobicContact CD2-CB 3.72Å; G1137-D1140 WeakPolarHBondContact CA-OD2 3.15Å; G1137-D1140 PolarHBondContact N-OD2 2.91Å; G1137-D1140 PolarHBondContact O-N 3.11Å; D1140-W1142 PolarHBondContact O-N 3.32Å; D1140-I1145 HydrophobicContact CB-CD1 4Å |
| 1141 | N | 86.9 | Confident | 85.1 | Confident | 79 Ų | 79 | 79.9 Ų | 79.9 | 42% | 0.422 | 45% | 0.453 | S | S | . | . | | | trans | -90.3 | 105.8 | 176.6 | -179.2 | 1.7 | 0 | 0 | 0 | 109.8 | N1143 L1144 I1145 | N1141-N1143 PolarHBondContact O-N 3.04Å; N1141-N1143 WeakPolarHBondContact OD1-CB 3.37Å; N1141-N1143 PolarHBondContact OD1-N 3.41Å; N1141-N1143 VanDerWaalsContact OD1-N 3.11Å; N1141-N1143 PolarHBondContact OD1-ND2 2.68Å; N1141-L1144 HydrophobicContact CB-CB 4.43Å; N1141-L1144 HydrophobicContact CB-CD1 4.04Å; N1141-L1144 HydrophobicContact CB-CG 4.12Å; N1141-L1144 WeakPolarHBondContact O-CB 3.23Å; N1141-L1144 PolarHBondContact O-N 3.28Å; N1141-I1145 PolarHBondContact O-N 2.9Å |
| 1142 | W | 88.9 | Confident | 85.4 | Confident | 82 Ų | 82 | 78.8 Ų | 78.8 | 31% | 0.311 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -47 | -34.3 | 176.7 | -179.5 | -120 | 0 | 0 | 0 | 114.2 | P1131 L1136 D1140 I1145 L1146 | P1131-W1142 HydrophobicContact CB-CH2 4.39Å; P1131-W1142 HydrophobicContact CB-CZ3 4.14Å; P1131-W1142 HydrophobicContact CG-CH2 4.18Å; P1131-W1142 HydrophobicContact CG-CZ3 4.3Å; P1131-W1142 WeakPolarHBondContact O-CH2 3.5Å; L1136-W1142 HydrophobicContact CD1-CB 4.41Å; L1136-W1142 HydrophobicContact CD1-CD2 4.44Å; L1136-W1142 HydrophobicContact CD1-CE3 3.92Å; L1136-W1142 HydrophobicContact CD2-CE3 4.2Å; L1136-W1142 HydrophobicContact CG-CE3 4.29Å; D1140-W1142 PolarHBondContact O-N 3.32Å; W1142-I1145 HydrophobicContact CE3-CG2 4.28Å; W1142-I1145 HydrophobicContact CZ3-CG2 4.25Å; W1142-I1145 PolarHBondContact O-N 3.08Å; W1142-L1146 HydrophobicContact CD2-CD1 4.49Å; W1142-L1146 HydrophobicContact CD2-CG 4.29Å; W1142-L1146 HydrophobicContact CH2-CD2 4.25Å; W1142-L1146 HydrophobicContact CZ2-CD1 4.29Å; W1142-L1146 HydrophobicContact CZ2-CD2 3.84Å; W1142-L1146 HydrophobicContact CZ2-CG 4.14Å; W1142-L1146 WeakPolarHBondContact O-CG 3.26Å; W1142-L1146 PolarHBondContact O-N 3.48Å |
| 1143 | N | 89.6 | Confident | 85.7 | Confident | 100 Ų | 100 | 77.8 Ų | 77.8 | 54% | 0.535 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.8 | -38.9 | 177.8 | -55.2 | -86.9 | 0 | 0 | 0 | 112.4 | N1141 I1145 L1146 E1147 | N1141-N1143 PolarHBondContact O-N 3.04Å; N1141-N1143 WeakPolarHBondContact OD1-CB 3.37Å; N1141-N1143 PolarHBondContact OD1-N 3.41Å; N1141-N1143 VanDerWaalsContact OD1-N 3.11Å; N1141-N1143 PolarHBondContact OD1-ND2 2.68Å; N1143-I1145 VanDerWaalsContact C-N 3.33Å; N1143-L1146 PolarHBondContact O-N 3.41Å; N1143-E1147 WeakPolarHBondContact O-CG 3.4Å; N1143-E1147 PolarHBondContact O-N 2.87Å |
| 1144 | L | 89.6 | Confident | 86.1 | Confident | 103 Ų | 103 | 73.8 Ų | 73.8 | 54% | 0.539 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -69 | -34.1 | 176.4 | -66.2 | 177.1 | 0 | 0 | 0 | 111.5 | N1141 E1147 E1148 | N1141-L1144 HydrophobicContact CB-CB 4.43Å; N1141-L1144 HydrophobicContact CB-CD1 4.04Å; N1141-L1144 HydrophobicContact CB-CG 4.12Å; N1141-L1144 WeakPolarHBondContact O-CB 3.23Å; N1141-L1144 PolarHBondContact O-N 3.28Å; L1144-E1147 PolarHBondContact O-N 3.38Å; L1144-E1148 PolarHBondContact O-N 3.14Å |
| 1145 | I | 88.2 | Confident | 86.7 | Confident | 46 Ų | 46 | 70.4 Ų | 70.4 | 24% | 0.236 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -68.4 | -40.3 | 174.8 | -71.8 | 162.9 | 0 | 0 | 0 | 110.7 | P1131 L1136 D1140 N1141 W1142 N1143 E1148 A1149 | P1131-I1145 HydrophobicContact CB-CG2 3.66Å; P1131-I1145 HydrophobicContact CG-CG2 4.02Å; L1136-I1145 HydrophobicContact CD2-CD1 3.43Å; L1136-I1145 VanDerWaalsContact CD2-CD1 3.43Å; D1140-I1145 HydrophobicContact CB-CD1 4Å; N1141-I1145 PolarHBondContact O-N 2.9Å; W1142-I1145 HydrophobicContact CE3-CG2 4.28Å; W1142-I1145 HydrophobicContact CZ3-CG2 4.25Å; W1142-I1145 PolarHBondContact O-N 3.08Å; N1143-I1145 VanDerWaalsContact C-N 3.33Å; I1145-E1148 PolarHBondContact O-N 3.37Å; I1145-A1149 WeakPolarHBondContact O-CB 3.41Å; I1145-A1149 PolarHBondContact O-N 3.32Å |
| 1146 | L | 90.4 | Very high | 87.5 | Confident | 81 Ų | 81 | 64.2 Ų | 64.2 | 42% | 0.424 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67 | -34.8 | 172.7 | -72.3 | -179.9 | 0 | 0 | 0 | 113 | W1142 N1143 G1150 | W1142-L1146 HydrophobicContact CD2-CD1 4.49Å; W1142-L1146 HydrophobicContact CD2-CG 4.29Å; W1142-L1146 HydrophobicContact CH2-CD2 4.25Å; W1142-L1146 HydrophobicContact CZ2-CD1 4.29Å; W1142-L1146 HydrophobicContact CZ2-CD2 3.84Å; W1142-L1146 HydrophobicContact CZ2-CG 4.14Å; W1142-L1146 WeakPolarHBondContact O-CG 3.26Å; W1142-L1146 PolarHBondContact O-N 3.48Å; N1143-L1146 PolarHBondContact O-N 3.41Å; L1146-G1150 PolarHBondContact O-N 3.05Å |
| 1147 | E | 90.2 | Very high | 88.1 | Confident | 128 Ų | 128 | 62.9 Ų | 62.9 | 60% | 0.598 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -66.3 | -46.3 | 172.8 | -76 | 174.3 | 178.2 | 0 | 0 | 111.4 | N1143 L1144 G1150 E1151 | N1143-E1147 WeakPolarHBondContact O-CG 3.4Å; N1143-E1147 PolarHBondContact O-N 2.87Å; L1144-E1147 PolarHBondContact O-N 3.38Å; E1147-G1150 PolarHBondContact O-N 3.34Å; E1147-E1151 PolarHBondContact O-N 3.27Å |
| 1148 | E | 88.7 | Confident | 88.7 | Confident | 75 Ų | 75 | 65 Ų | 65 | 35% | 0.35 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 175.2 | -165.3 | -165.7 | 177.8 | 0 | 0 | 111.4 | K1128 L1144 I1145 G1150 E1151 C1152 | K1128-E1148 IonicContact NZ-OE1 3.48Å; K1128-E1148 PolarHBondContact NZ-OE1 3.3Å; K1128-E1148 IonicContact NZ-OE2 2.72Å; K1128-E1148 PolarHBondContact NZ-OE2 2.91Å; L1144-E1148 PolarHBondContact O-N 3.14Å; I1145-E1148 PolarHBondContact O-N 3.37Å; E1148-G1150 VanDerWaalsContact C-N 3.35Å; E1148-G1150 PolarHBondContact O-N 3.31Å; E1148-E1151 PolarHBondContact O-N 2.78Å; E1148-C1152 WeakPolarHBondContact O-CB 3.32Å; E1148-C1152 PolarHBondContact O-N 3.34Å; E1148-C1152 PolarHBondContact O-SG 2.97Å |
| 1149 | A | 91.2 | Very high | 89.5 | Confident | 9 Ų | 9 | 58.6 Ų | 58.6 | 7% | 0.074 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | K1128 P1131 I1145 C1152 A1153 | K1128-A1149 VanDerWaalsContact O-CA 3.23Å; K1128-A1149 WeakPolarHBondContact O-CA 3.4Å; K1128-A1149 WeakPolarHBondContact O-CB 3.44Å; P1131-A1149 HydrophobicContact CG-CB 4.09Å; I1145-A1149 WeakPolarHBondContact O-CB 3.41Å; I1145-A1149 PolarHBondContact O-N 3.32Å; A1149-C1152 PolarHBondContact O-N 2.7Å; A1149-A1153 VanDerWaalsContact O-CB 3.28Å; A1149-A1153 WeakPolarHBondContact O-CB 3.19Å; A1149-A1153 PolarHBondContact O-N 3.29Å |
| 1150 | G | 91.6 | Very high | 90.2 | Very high | 41 Ų | 41 | 56.2 Ų | 56.2 | 42% | 0.423 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1146 E1147 E1148 S1154 | L1146-G1150 PolarHBondContact O-N 3.05Å; E1147-G1150 PolarHBondContact O-N 3.34Å; E1148-G1150 VanDerWaalsContact C-N 3.35Å; E1148-G1150 PolarHBondContact O-N 3.31Å; G1150-S1154 WeakPolarHBondContact O-CB 3.45Å; G1150-S1154 PolarHBondContact O-N 3.34Å |
| 1151 | E | 90.9 | Very high | 90.5 | Very high | 122 Ų | 122 | 57.9 Ų | 57.9 | 57% | 0.57 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62.3 | -46.9 | 170.6 | -77 | -153.3 | -170.4 | 0 | 0 | 111.8 | E1147 E1148 A1153 S1154 L1155 | E1147-E1151 PolarHBondContact O-N 3.27Å; E1148-E1151 PolarHBondContact O-N 2.78Å; E1151-A1153 PolarHBondContact O-N 2.87Å; E1151-S1154 PolarHBondContact O-N 3.4Å; E1151-L1155 WeakPolarHBondContact O-CB 3.37Å; E1151-L1155 VanDerWaalsContact O-CG 3.23Å; E1151-L1155 WeakPolarHBondContact O-CG 3.3Å; E1151-L1155 PolarHBondContact O-N 2.84Å |
| 1152 | C | 91.1 | Very high | 90.6 | Very high | 7 Ų | 7 | 61 Ų | 61 | 5% | 0.047 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.1 | -46.2 | -179.8 | -66.9 | 0 | 0 | 0 | 0 | 111.8 | E1148 A1149 L1155 L1156 F1171 | E1148-C1152 WeakPolarHBondContact O-CB 3.32Å; E1148-C1152 PolarHBondContact O-N 3.34Å; E1148-C1152 PolarHBondContact O-SG 2.97Å; A1149-C1152 PolarHBondContact O-N 2.7Å; C1152-L1155 PolarHBondContact O-N 3.22Å; C1152-L1156 WeakPolarHBondContact O-CB 3.21Å; C1152-L1156 PolarHBondContact O-N 3.09Å; C1152-F1171 HydrophobicContact CB-CE1 4.43Å; C1152-F1171 HydrophobicContact CB-CZ 4.5Å; C1152-F1171 WeakPolarHBondContact O-CE1 3.46Å |
| 1153 | A | 92.2 | Very high | 90.7 | Very high | 10 Ų | 10 | 62.2 Ų | 62.2 | 8% | 0.083 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61 | -47.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1085 I1129 A1149 E1151 L1155 L1156 V1157 | L1085-A1153 HydrophobicContact CD1-CB 3.84Å; L1085-A1153 HydrophobicContact CD2-CB 4.26Å; I1129-A1153 HydrophobicContact CG1-CB 4.44Å; I1129-A1153 HydrophobicContact CG2-CB 4.42Å; A1149-A1153 VanDerWaalsContact O-CB 3.28Å; A1149-A1153 WeakPolarHBondContact O-CB 3.19Å; A1149-A1153 PolarHBondContact O-N 3.29Å; E1151-A1153 PolarHBondContact O-N 2.87Å; A1153-L1155 VanDerWaalsContact C-N 3.33Å; A1153-L1155 PolarHBondContact O-N 3.08Å; A1153-L1156 PolarHBondContact O-N 2.73Å; A1153-V1157 WeakPolarHBondContact O-CB 3.48Å; A1153-V1157 WeakPolarHBondContact O-CG2 3.31Å; A1153-V1157 PolarHBondContact O-N 3.43Å |
| 1154 | S | 92.2 | Very high | 90.5 | Very high | 42 Ų | 42 | 57.5 Ų | 57.5 | 29% | 0.294 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.2 | -38.2 | 178.6 | -175 | 0 | 0 | 0 | 0 | 112.5 | G1150 E1151 S1158 | G1150-S1154 WeakPolarHBondContact O-CB 3.45Å; G1150-S1154 PolarHBondContact O-N 3.34Å; E1151-S1154 PolarHBondContact O-N 3.4Å; S1154-S1158 WeakPolarHBondContact O-CB 3.47Å; S1154-S1158 PolarHBondContact O-N 3.34Å; S1154-S1158 PolarHBondContact O-OG 3.09Å |
| 1155 | L | 93.2 | Very high | 90.2 | Very high | 28 Ų | 28 | 55.3 Ų | 55.3 | 15% | 0.147 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70.8 | -35.4 | 177.2 | -71.6 | 171.5 | 0 | 0 | 0 | 112.9 | E1151 C1152 A1153 G1159 S1160 R1162 F1171 | E1151-L1155 WeakPolarHBondContact O-CB 3.37Å; E1151-L1155 VanDerWaalsContact O-CG 3.23Å; E1151-L1155 WeakPolarHBondContact O-CG 3.3Å; E1151-L1155 PolarHBondContact O-N 2.84Å; C1152-L1155 PolarHBondContact O-N 3.22Å; A1153-L1155 VanDerWaalsContact C-N 3.33Å; A1153-L1155 PolarHBondContact O-N 3.08Å; L1155-G1159 PolarHBondContact O-N 2.86Å; L1155-S1160 VanDerWaalsContact O-CB 3.31Å; L1155-S1160 WeakPolarHBondContact O-CB 3.48Å; L1155-S1160 PolarHBondContact O-N 3.43Å; L1155-R1162 HydrophobicContact CD2-CG 4.42Å; L1155-F1171 HydrophobicContact CB-CD1 3.89Å; L1155-F1171 HydrophobicContact CB-CD2 3.83Å; L1155-F1171 HydrophobicContact CB-CE1 3.95Å; L1155-F1171 HydrophobicContact CB-CE2 3.89Å; L1155-F1171 HydrophobicContact CB-CG 3.83Å; L1155-F1171 HydrophobicContact CB-CZ 3.95Å; L1155-F1171 HydrophobicContact CD1-CD2 4.28Å; L1155-F1171 HydrophobicContact CD1-CE2 3.74Å; L1155-F1171 HydrophobicContact CD1-CZ 4.06Å; L1155-F1171 HydrophobicContact CG-CE2 4.45Å |
| 1156 | L | 93.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.7 | -51.4 | 174.2 | -171.5 | 66.7 | 0 | 0 | 0 | 111.3 | M1088 L1125 I1129 C1152 A1153 S1158 G1159 F1171 A1174 R1175 I1178 | M1088-L1156 HydrophobicContact SD-CD2 3.69Å; M1088-L1156 HydrophobicContact SD-CG 3.77Å; L1125-L1156 HydrophobicContact CD1-CD1 4.43Å; I1129-L1156 HydrophobicContact CD1-CD2 3.48Å; I1129-L1156 VanDerWaalsContact CD1-CD2 3.48Å; C1152-L1156 WeakPolarHBondContact O-CB 3.21Å; C1152-L1156 PolarHBondContact O-N 3.09Å; A1153-L1156 PolarHBondContact O-N 2.73Å; L1156-S1158 PolarHBondContact O-N 3.03Å; L1156-G1159 PolarHBondContact O-N 3.16Å; L1156-F1171 HydrophobicContact CB-CD1 3.93Å; L1156-F1171 HydrophobicContact CB-CE1 4.48Å; L1156-F1171 HydrophobicContact CD1-CD1 4.25Å; L1156-A1174 HydrophobicContact CD1-CB 3.85Å; L1156-R1175 HydrophobicContact CD1-CB 4.32Å; L1156-I1178 HydrophobicContact CD1-CD1 4.17Å; L1156-I1178 HydrophobicContact CD2-CD1 3.81Å; L1156-I1178 HydrophobicContact CG-CD1 4.4Å |
| 1157 | V | 92.6 | Very high | 89.3 | Confident | 16 Ų | 16 | 57 Ų | 57 | 10% | 0.097 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.9 | -24.2 | 178 | 176 | 0 | 0 | 0 | 0 | 111.9 | R1081 D1084 L1085 M1088 A1153 G1159 R1175 | R1081-V1157 HydrophobicContact CB-CG1 4Å; R1081-V1157 HydrophobicContact CG-CG1 4.18Å; D1084-V1157 HydrophobicContact CB-CG1 4.35Å; L1085-V1157 HydrophobicContact CB-CG2 3.89Å; L1085-V1157 HydrophobicContact CD1-CG2 3.93Å; L1085-V1157 HydrophobicContact CG-CG2 4.45Å; M1088-V1157 HydrophobicContact SD-CG2 4.48Å; A1153-V1157 WeakPolarHBondContact O-CB 3.48Å; A1153-V1157 WeakPolarHBondContact O-CG2 3.31Å; A1153-V1157 PolarHBondContact O-N 3.43Å; V1157-G1159 VanDerWaalsContact C-N 3.34Å; V1157-R1175 PolarHBondContact O-NH1 3.03Å |
| 1158 | S | 90.5 | Very high | 89 | Confident | 73 Ų | 73 | 60.3 Ų | 60.3 | 51% | 0.51 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -3.8 | 170.3 | -56.8 | 0 | 0 | 0 | 0 | 114.2 | S1154 L1156 S1160 | S1154-S1158 WeakPolarHBondContact O-CB 3.47Å; S1154-S1158 PolarHBondContact O-N 3.34Å; S1154-S1158 PolarHBondContact O-OG 3.09Å; L1156-S1158 PolarHBondContact O-N 3.03Å; S1158-S1160 VanDerWaalsContact C-N 3.28Å; S1158-S1160 PolarHBondContact O-N 3.45Å |
| 1159 | G | 89.1 | Confident | 89 | Confident | 18 Ų | 18 | 58 Ų | 58 | 19% | 0.186 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 38.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1155 L1156 V1157 K1172 | L1155-G1159 PolarHBondContact O-N 2.86Å; L1156-G1159 PolarHBondContact O-N 3.16Å; V1157-G1159 VanDerWaalsContact C-N 3.34Å; G1159-K1172 VanDerWaalsContact O-CB 3.31Å; G1159-K1172 WeakPolarHBondContact O-CB 3.41Å |
| 1160 | S | 90 | Very high | 89 | Confident | 27 Ų | 27 | 57.9 Ų | 57.9 | 19% | 0.189 | 32% | 0.319 | C | S | . | . | | | trans | -66.8 | 145.9 | -165.5 | -171.6 | 0 | 0 | 0 | 0 | 113.7 | L1155 S1158 R1162 F1171 K1172 | L1155-S1160 VanDerWaalsContact O-CB 3.31Å; L1155-S1160 WeakPolarHBondContact O-CB 3.48Å; L1155-S1160 PolarHBondContact O-N 3.43Å; S1158-S1160 VanDerWaalsContact C-N 3.28Å; S1158-S1160 PolarHBondContact O-N 3.45Å; S1160-R1162 PolarHBondContact O-N 3.14Å; S1160-R1162 PolarHBondContact OG-N 3.1Å; S1160-F1171 CarbonylContact O-C 3.54Å; S1160-F1171 WeakPolarHBondContact O-CB 3.43Å; S1160-F1171 PolarHBondContact O-N 2.91Å; S1160-K1172 PolarHBondContact O-N 3.03Å |
| 1161 | Q | 90.2 | Very high | 89 | Confident | 129 Ų | 129 | 56.1 Ų | 56.1 | 60% | 0.603 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -77.3 | -6.2 | 176 | -163.1 | 51.6 | 79.5 | 0 | 0 | 113.3 | S1170 | Q1161-S1170 VanDerWaalsContact NE2-CB 3.29Å; Q1161-S1170 PolarHBondContact NE2-OG 2.66Å |
| 1162 | R | 89.9 | Confident | 89.1 | Confident | 144 Ų | 144 | 55.1 Ų | 55.1 | 54% | 0.543 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -58.1 | 152.3 | 170.6 | -67.7 | -170.3 | -173.4 | 177.2 | 0.1 | 110.8 | L1155 S1160 S1170 F1171 | L1155-R1162 HydrophobicContact CD2-CG 4.42Å; S1160-R1162 PolarHBondContact O-N 3.14Å; S1160-R1162 PolarHBondContact OG-N 3.1Å; R1162-S1170 CarbonylContact O-C 3.56Å; R1162-S1170 VanDerWaalsContact O-CA 3.27Å; R1162-S1170 WeakPolarHBondContact O-CA 3.38Å; R1162-F1171 HydrophobicContact CB-CD2 4.21Å; R1162-F1171 WeakPolarHBondContact O-CD2 3.26Å; R1162-F1171 PolarHBondContact O-N 3.3Å |
| 1163 | L | 89.6 | Confident | 89.1 | Confident | 108 Ų | 108 | 56.9 Ų | 56.9 | 57% | 0.565 | 31% | 0.306 | S | S | * | . | B | Isolated β-bridge | trans | -78.3 | 141.9 | 173 | -59.9 | -179.4 | 0 | 0 | 0 | 110.7 | V1169 F1171 | L1163-V1169 WeakPolarHBondContact CA-O 3.27Å; L1163-F1171 WeakPolarHBondContact O-CE2 3.48Å |
| 1164 | V | 86.3 | Confident | 89 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.006 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 125.7 | 169.2 | 176.9 | 0 | 0 | 0 | 0 | 107.6 | L1121 Y1124 L1125 T1167 V1169 F1171 | L1121-V1164 HydrophobicContact CD1-CB 4.2Å; L1121-V1164 HydrophobicContact CD1-CG1 4.01Å; L1121-V1164 HydrophobicContact CD1-CG2 4.31Å; Y1124-V1164 HydrophobicContact CD1-CG1 3.75Å; Y1124-V1164 HydrophobicContact CE1-CG1 3.68Å; L1125-V1164 HydrophobicContact CD2-CG1 3.82Å; L1125-V1164 HydrophobicContact CD2-CG2 4.23Å; L1125-V1164 HydrophobicContact CG-CG1 4.32Å; V1164-T1167 PolarHBondContact O-N 3.31Å; V1164-T1167 PolarHBondContact O-OG1 2.82Å; V1164-T1167 VanDerWaalsContact O-OG1 3.07Å; V1164-V1169 PolarHBondContact N-O 3.44Å; V1164-F1171 HydrophobicContact CB-CE2 4.42Å; V1164-F1171 HydrophobicContact CB-CZ 4.43Å; V1164-F1171 HydrophobicContact CG2-CB 4.45Å; V1164-F1171 HydrophobicContact CG2-CD1 3.76Å; V1164-F1171 HydrophobicContact CG2-CD2 3.91Å; V1164-F1171 HydrophobicContact CG2-CE1 3.92Å; V1164-F1171 HydrophobicContact CG2-CE2 4.05Å; V1164-F1171 HydrophobicContact CG2-CG 3.76Å; V1164-F1171 HydrophobicContact CG2-CZ 4.07Å |
| 1165 | P | 82 | Confident | 89 | Confident | 56 Ų | 56 | 56.7 Ų | 56.7 | 36% | 0.364 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 151.1 | -176.4 | -24.8 | 33.4 | 0 | 0 | 0 | 112.7 | Y1124 T1167 | Y1124-P1165 VanDerWaalsContact CE1-O 3.23Å; Y1124-P1165 WeakPolarHBondContact CE1-O 3.36Å; Y1124-P1165 PolarHBondContact OH-O 3.25Å; P1165-T1167 PolarHBondContact O-N 3.05Å |
| 1166 | T | 78.8 | Confident | 89 | Confident | 123 Ų | 123 | 59.6 Ų | 59.6 | 76% | 0.755 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | -20.7 | -171.5 | 76.6 | 0 | 0 | 0 | 0 | 117.2 | Y1124 | Y1124-T1166 HydrophobicContact CE2-CG2 4.1Å; Y1124-T1166 WeakPolarHBondContact CE2-OG1 3.43Å |
| 1167 | T | 81.7 | Confident | 88.9 | Confident | 40 Ų | 40 | 60.2 Ų | 60.2 | 25% | 0.245 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -104.8 | 168.8 | 179.5 | 82.4 | 0 | 0 | 0 | 0 | 112.7 | L1121 V1164 P1165 V1169 | L1121-T1167 HydrophobicContact CD1-CG2 3.88Å; V1164-T1167 PolarHBondContact O-N 3.31Å; V1164-T1167 PolarHBondContact O-OG1 2.82Å; V1164-T1167 VanDerWaalsContact O-OG1 3.07Å; P1165-T1167 PolarHBondContact O-N 3.05Å; T1167-V1169 VanDerWaalsContact C-N 3.35Å; T1167-V1169 PolarHBondContact OG1-N 2.83Å |
| 1168 | K | 84.2 | Confident | 88.9 | Confident | 197 Ų | 197 | 59.4 Ų | 59.4 | 86% | 0.857 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -94.9 | 10.5 | 172.4 | -65.4 | 178.5 | -177.8 | 171.7 | 0 | 112.9 | | |
| 1169 | V | 87.8 | Confident | 88.9 | Confident | 27 Ų | 27 | 58.8 Ų | 58.8 | 16% | 0.164 | 30% | 0.298 | C | S | . | . | | | trans | -103.3 | 143.7 | -170 | -174.1 | 0 | 0 | 0 | 0 | 110.2 | L1121 L1163 V1164 T1167 S1173 | L1121-V1169 HydrophobicContact CD1-CB 4.38Å; L1121-V1169 HydrophobicContact CD2-CB 3.94Å; L1121-V1169 HydrophobicContact CD2-CG1 3.57Å; L1121-V1169 HydrophobicContact CD2-CG2 4.24Å; L1163-V1169 WeakPolarHBondContact CA-O 3.27Å; V1164-V1169 PolarHBondContact N-O 3.44Å; T1167-V1169 VanDerWaalsContact C-N 3.35Å; T1167-V1169 PolarHBondContact OG1-N 2.83Å; V1169-S1173 VanDerWaalsContact CG1-CB 3.42Å |
| 1170 | S | 91.7 | Very high | 89 | Confident | 7 Ų | 7 | 63 Ų | 63 | 5% | 0.049 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -84 | 152.3 | 178.2 | 74.7 | 0 | 0 | 0 | 0 | 112.6 | Q1161 R1162 K1172 S1173 A1174 | Q1161-S1170 VanDerWaalsContact NE2-CB 3.29Å; Q1161-S1170 PolarHBondContact NE2-OG 2.66Å; R1162-S1170 CarbonylContact O-C 3.56Å; R1162-S1170 VanDerWaalsContact O-CA 3.27Å; R1162-S1170 WeakPolarHBondContact O-CA 3.38Å; S1170-K1172 PolarHBondContact O-N 3.29Å; S1170-S1173 WeakPolarHBondContact O-CA 3.31Å; S1170-S1173 VanDerWaalsContact O-CB 3.32Å; S1170-S1173 WeakPolarHBondContact O-CB 3.38Å; S1170-S1173 PolarHBondContact O-N 3.41Å; S1170-S1173 PolarHBondContact OG-N 2.72Å; S1170-S1173 VanDerWaalsContact OG-N 3.09Å; S1170-S1173 PolarHBondContact OG-OG 3.05Å; S1170-A1174 PolarHBondContact O-N 2.84Å |
| 1171 | F | 92.2 | Very high | 89 | Confident | 3 Ų | 3 | 61.8 Ų | 61.8 | 1% | 0.013 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.6 | -34 | 173.5 | -78.5 | -85.7 | 0 | 0 | 0 | 111.5 | L1125 C1152 L1155 L1156 S1160 R1162 L1163 V1164 A1174 R1175 | L1125-F1171 HydrophobicContact CD2-CE1 4.07Å; C1152-F1171 HydrophobicContact CB-CE1 4.43Å; C1152-F1171 HydrophobicContact CB-CZ 4.5Å; C1152-F1171 WeakPolarHBondContact O-CE1 3.46Å; L1155-F1171 HydrophobicContact CB-CD1 3.89Å; L1155-F1171 HydrophobicContact CB-CD2 3.83Å; L1155-F1171 HydrophobicContact CB-CE1 3.95Å; L1155-F1171 HydrophobicContact CB-CE2 3.89Å; L1155-F1171 HydrophobicContact CB-CG 3.83Å; L1155-F1171 HydrophobicContact CB-CZ 3.95Å; L1155-F1171 HydrophobicContact CD1-CD2 4.28Å; L1155-F1171 HydrophobicContact CD1-CE2 3.74Å; L1155-F1171 HydrophobicContact CD1-CZ 4.06Å; L1155-F1171 HydrophobicContact CG-CE2 4.45Å; L1156-F1171 HydrophobicContact CB-CD1 3.93Å; L1156-F1171 HydrophobicContact CB-CE1 4.48Å; L1156-F1171 HydrophobicContact CD1-CD1 4.25Å; S1160-F1171 CarbonylContact O-C 3.54Å; S1160-F1171 WeakPolarHBondContact O-CB 3.43Å; S1160-F1171 PolarHBondContact O-N 2.91Å; R1162-F1171 HydrophobicContact CB-CD2 4.21Å; R1162-F1171 WeakPolarHBondContact O-CD2 3.26Å; R1162-F1171 PolarHBondContact O-N 3.3Å; L1163-F1171 WeakPolarHBondContact O-CE2 3.48Å; V1164-F1171 HydrophobicContact CB-CE2 4.42Å; V1164-F1171 HydrophobicContact CB-CZ 4.43Å; V1164-F1171 HydrophobicContact CG2-CB 4.45Å; V1164-F1171 HydrophobicContact CG2-CD1 3.76Å; V1164-F1171 HydrophobicContact CG2-CD2 3.91Å; V1164-F1171 HydrophobicContact CG2-CE1 3.92Å; V1164-F1171 HydrophobicContact CG2-CE2 4.05Å; V1164-F1171 HydrophobicContact CG2-CG 3.76Å; V1164-F1171 HydrophobicContact CG2-CZ 4.07Å; F1171-A1174 PolarHBondContact O-N 3.36Å; F1171-R1175 WeakPolarHBondContact O-CB 3.48Å; F1171-R1175 PolarHBondContact O-N 3.46Å |
| 1172 | K | 92.8 | Very high | 89 | Confident | 102 Ų | 102 | 57.4 Ų | 57.4 | 44% | 0.443 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 169.9 | -169.1 | 174.6 | 179.2 | 177.3 | 0 | 112.9 | G1159 S1160 S1170 R1175 M1176 | G1159-K1172 VanDerWaalsContact O-CB 3.31Å; G1159-K1172 WeakPolarHBondContact O-CB 3.41Å; S1160-K1172 PolarHBondContact O-N 3.03Å; S1170-K1172 PolarHBondContact O-N 3.29Å; K1172-R1175 PolarHBondContact O-N 3Å; K1172-M1176 WeakPolarHBondContact O-CG 3.36Å; K1172-M1176 PolarHBondContact O-N 3.48Å |
| 1173 | S | 90.4 | Very high | 88.8 | Confident | 44 Ų | 44 | 55.5 Ų | 55.5 | 31% | 0.308 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.9 | -42.9 | 176.6 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | V1169 S1170 M1176 V1177 | V1169-S1173 VanDerWaalsContact CG1-CB 3.42Å; S1170-S1173 WeakPolarHBondContact O-CA 3.31Å; S1170-S1173 VanDerWaalsContact O-CB 3.32Å; S1170-S1173 WeakPolarHBondContact O-CB 3.38Å; S1170-S1173 PolarHBondContact O-N 3.41Å; S1170-S1173 PolarHBondContact OG-N 2.72Å; S1170-S1173 VanDerWaalsContact OG-N 3.09Å; S1170-S1173 PolarHBondContact OG-OG 3.05Å; S1173-M1176 PolarHBondContact O-N 2.65Å; S1173-V1177 PolarHBondContact O-N 2.98Å |
| 1174 | A | 91.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.2 | -46.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1121 L1125 L1156 S1170 F1171 M1176 V1177 I1178 | L1121-A1174 HydrophobicContact CD2-CB 4.1Å; L1125-A1174 HydrophobicContact CD1-CB 3.58Å; L1156-A1174 HydrophobicContact CD1-CB 3.85Å; S1170-A1174 PolarHBondContact O-N 2.84Å; F1171-A1174 PolarHBondContact O-N 3.36Å; A1174-M1176 VanDerWaalsContact C-N 3.34Å; A1174-M1176 PolarHBondContact O-N 2.85Å; A1174-V1177 PolarHBondContact O-N 3.38Å; A1174-V1177 VanDerWaalsContact O-N 3.1Å; A1174-I1178 WeakPolarHBondContact O-CG1 3.31Å; A1174-I1178 PolarHBondContact O-N 2.82Å |
| 1175 | R | 92.4 | Very high | 88.6 | Confident | 47 Ų | 47 | 56.2 Ų | 56.2 | 18% | 0.177 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.1 | -45.1 | 174.6 | -177.6 | 178.3 | 174.5 | 102.9 | 32.3 | 111.7 | D1084 M1088 L1156 V1157 F1171 K1172 V1177 I1178 E1179 | D1084-R1175 IonicContact OD1-NH2 2.73Å; D1084-R1175 IonicContact OD2-CZ 2.7Å; D1084-R1175 VanDerWaalsContact OD2-CZ 3.29Å; D1084-R1175 IonicContact OD2-NH1 3.08Å; D1084-R1175 PolarHBondContact OD2-NH1 2.97Å; D1084-R1175 IonicContact OD2-NH2 3.33Å; D1084-R1175 PolarHBondContact OD2-NH2 2.99Å; M1088-R1175 HydrophobicContact CE-CG 4.23Å; L1156-R1175 HydrophobicContact CD1-CB 4.32Å; V1157-R1175 PolarHBondContact O-NH1 3.03Å; F1171-R1175 WeakPolarHBondContact O-CB 3.48Å; F1171-R1175 PolarHBondContact O-N 3.46Å; K1172-R1175 PolarHBondContact O-N 3Å; R1175-V1177 VanDerWaalsContact C-N 3.31Å; R1175-V1177 PolarHBondContact O-N 2.85Å; R1175-I1178 PolarHBondContact O-N 3.24Å; R1175-I1178 VanDerWaalsContact O-N 3.14Å; R1175-E1179 HydrophobicContact CG-CG 4.27Å; R1175-E1179 IonicContact CZ-OE1 3.27Å; R1175-E1179 IonicContact NE-OE1 2.76Å; R1175-E1179 PolarHBondContact NE-OE1 3.05Å; R1175-E1179 IonicContact NH2-OE1 2.91Å; R1175-E1179 PolarHBondContact NH2-OE1 3.48Å; R1175-E1179 VanDerWaalsContact NH2-OE1 3.08Å; R1175-E1179 WeakPolarHBondContact O-CB 3.47Å; R1175-E1179 WeakPolarHBondContact O-CG 3.39Å; R1175-E1179 PolarHBondContact O-N 3.35Å |
| 1176 | M | 92.3 | Very high | 88.7 | Confident | 89 Ų | 89 | 54.5 Ų | 54.5 | 44% | 0.438 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62 | -33.8 | 176.6 | -72.5 | -173.6 | -59.3 | 0 | 0 | 113.4 | K1172 S1173 A1174 Q1180 | K1172-M1176 WeakPolarHBondContact O-CG 3.36Å; K1172-M1176 PolarHBondContact O-N 3.48Å; S1173-M1176 PolarHBondContact O-N 2.65Å; A1174-M1176 VanDerWaalsContact C-N 3.34Å; A1174-M1176 PolarHBondContact O-N 2.85Å; M1176-Q1180 WeakPolarHBondContact O-CB 3.2Å; M1176-Q1180 WeakPolarHBondContact O-CG 3.46Å; M1176-Q1180 PolarHBondContact O-N 2.96Å |
| 1177 | V | 91.8 | Very high | 89 | Confident | 13 Ų | 13 | 50 Ų | 50 | 8% | 0.079 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.8 | -42.4 | 173.6 | 176.5 | 0 | 0 | 0 | 0 | 110.6 | I1114 N1118 L1122 S1173 A1174 R1175 Q1180 I1181 | I1114-V1177 HydrophobicContact CG2-CG1 4.45Å; N1118-V1177 HydrophobicContact CB-CG1 4.41Å; L1122-V1177 HydrophobicContact CD1-CG1 4.04Å; S1173-V1177 PolarHBondContact O-N 2.98Å; A1174-V1177 PolarHBondContact O-N 3.38Å; A1174-V1177 VanDerWaalsContact O-N 3.1Å; R1175-V1177 VanDerWaalsContact C-N 3.31Å; R1175-V1177 PolarHBondContact O-N 2.85Å; V1177-Q1180 WeakPolarHBondContact O-CB 3.39Å; V1177-Q1180 PolarHBondContact O-N 3.37Å; V1177-I1181 HydrophobicContact CG1-CD1 4.3Å; V1177-I1181 WeakPolarHBondContact O-CG1 3.3Å; V1177-I1181 PolarHBondContact O-N 3.45Å |
| 1178 | I | 92.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.7 | -43.3 | 175.5 | -65.1 | 172.5 | 0 | 0 | 0 | 110.8 | M1088 L1091 L1122 L1156 A1174 R1175 Q1180 I1181 Q1182 | M1088-I1178 HydrophobicContact CG-CG2 3.94Å; M1088-I1178 HydrophobicContact SD-CD1 4.2Å; M1088-I1178 HydrophobicContact SD-CG2 4.35Å; L1091-I1178 HydrophobicContact CD1-CG2 3.93Å; L1091-I1178 HydrophobicContact CD2-CG2 4.23Å; L1122-I1178 HydrophobicContact CD2-CD1 4.04Å; L1122-I1178 HydrophobicContact CD2-CG1 3.59Å; L1156-I1178 HydrophobicContact CD1-CD1 4.17Å; L1156-I1178 HydrophobicContact CD2-CD1 3.81Å; L1156-I1178 HydrophobicContact CG-CD1 4.4Å; A1174-I1178 WeakPolarHBondContact O-CG1 3.31Å; A1174-I1178 PolarHBondContact O-N 2.82Å; R1175-I1178 PolarHBondContact O-N 3.24Å; R1175-I1178 VanDerWaalsContact O-N 3.14Å; I1178-Q1180 VanDerWaalsContact C-N 3.33Å; I1178-Q1180 PolarHBondContact O-N 3.42Å; I1178-I1181 WeakPolarHBondContact O-CB 3.35Å; I1178-I1181 PolarHBondContact O-N 3.35Å; I1178-I1181 VanDerWaalsContact O-N 3.14Å; I1178-Q1182 HydrophobicContact CG2-CG 4.4Å; I1178-Q1182 WeakPolarHBondContact O-CG 3.35Å; I1178-Q1182 PolarHBondContact O-N 2.7Å |
| 1179 | E | 91.4 | Very high | 88.8 | Confident | 60 Ų | 60 | 49.5 Ų | 49.5 | 28% | 0.28 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.8 | -33.6 | 176.1 | -72.8 | 170.8 | 167.2 | 0 | 0 | 112.5 | R1175 N1183 | R1175-E1179 HydrophobicContact CG-CG 4.27Å; R1175-E1179 IonicContact CZ-OE1 3.27Å; R1175-E1179 IonicContact NE-OE1 2.76Å; R1175-E1179 PolarHBondContact NE-OE1 3.05Å; R1175-E1179 IonicContact NH2-OE1 2.91Å; R1175-E1179 PolarHBondContact NH2-OE1 3.48Å; R1175-E1179 VanDerWaalsContact NH2-OE1 3.08Å; R1175-E1179 WeakPolarHBondContact O-CB 3.47Å; R1175-E1179 WeakPolarHBondContact O-CG 3.39Å; R1175-E1179 PolarHBondContact O-N 3.35Å; E1179-N1183 VanDerWaalsContact O-CB 3.3Å; E1179-N1183 WeakPolarHBondContact O-CB 3.5Å; E1179-N1183 PolarHBondContact O-N 2.9Å; E1179-N1183 PolarHBondContact O-ND2 3.42Å |
| 1180 | Q | 90 | Very high | 87.9 | Confident | 105 Ų | 105 | 54.2 Ų | 54.2 | 49% | 0.491 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.6 | -39.7 | 171.1 | -76.4 | 168 | 10.6 | 0 | 0 | 111.9 | M1176 V1177 I1178 N1183 C1184 | M1176-Q1180 WeakPolarHBondContact O-CB 3.2Å; M1176-Q1180 WeakPolarHBondContact O-CG 3.46Å; M1176-Q1180 PolarHBondContact O-N 2.96Å; V1177-Q1180 WeakPolarHBondContact O-CB 3.39Å; V1177-Q1180 PolarHBondContact O-N 3.37Å; I1178-Q1180 VanDerWaalsContact C-N 3.33Å; I1178-Q1180 PolarHBondContact O-N 3.42Å; Q1180-N1183 PolarHBondContact O-N 3.38Å; Q1180-C1184 PolarHBondContact O-N 2.83Å; Q1180-C1184 VanDerWaalsContact O-N 3.14Å |
| 1181 | I | 90.5 | Very high | 86.5 | Confident | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.3 | -50.4 | 174.5 | -64.4 | 163.8 | 0 | 0 | 0 | 110.4 | L1091 L1095 F1104 I1114 L1122 V1177 I1178 N1183 C1184 Y1187 | L1091-I1181 HydrophobicContact CD1-CB 3.93Å; L1091-I1181 HydrophobicContact CD1-CG2 3.55Å; L1091-I1181 HydrophobicContact CD2-CB 4.45Å; L1091-I1181 HydrophobicContact CD2-CD1 4.06Å; L1091-I1181 HydrophobicContact CD2-CG2 4.05Å; L1091-I1181 HydrophobicContact CG-CG2 3.82Å; L1095-I1181 HydrophobicContact CD1-CD1 4.24Å; F1104-I1181 HydrophobicContact CE1-CB 4.47Å; F1104-I1181 HydrophobicContact CE1-CG1 4.22Å; F1104-I1181 HydrophobicContact CE1-CG2 3.86Å; F1104-I1181 HydrophobicContact CE2-CG2 4.37Å; F1104-I1181 HydrophobicContact CZ-CG2 3.61Å; I1114-I1181 HydrophobicContact CD1-CD1 3.6Å; I1114-I1181 HydrophobicContact CD1-CG1 3.64Å; L1122-I1181 HydrophobicContact CD1-CD1 3.8Å; V1177-I1181 HydrophobicContact CG1-CD1 4.3Å; V1177-I1181 WeakPolarHBondContact O-CG1 3.3Å; V1177-I1181 PolarHBondContact O-N 3.45Å; I1178-I1181 WeakPolarHBondContact O-CB 3.35Å; I1178-I1181 PolarHBondContact O-N 3.35Å; I1178-I1181 VanDerWaalsContact O-N 3.14Å; I1181-N1183 PolarHBondContact O-N 3.41Å; I1181-N1183 VanDerWaalsContact O-N 3.16Å; I1181-C1184 PolarHBondContact O-N 3.36Å; I1181-C1184 PolarHBondContact O-SG 3.11Å; I1181-Y1187 HydrophobicContact CG2-CD2 4.21Å; I1181-Y1187 WeakPolarHBondContact O-CB 3.22Å |
| 1182 | Q | 89.2 | Confident | 84.8 | Confident | 38 Ų | 38 | 61.9 Ų | 61.9 | 18% | 0.178 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.4 | -32.8 | 177.4 | -70.8 | 176.2 | -14.1 | 0 | 0 | 112.2 | L1091 I1178 Y1187 | L1091-Q1182 HydrophobicContact CD1-CB 4.44Å; L1091-Q1182 HydrophobicContact CD1-CG 3.39Å; I1178-Q1182 HydrophobicContact CG2-CG 4.4Å; I1178-Q1182 WeakPolarHBondContact O-CG 3.35Å; I1178-Q1182 PolarHBondContact O-N 2.7Å; Q1182-Y1187 HydrophobicContact CB-CD1 4.49Å; Q1182-Y1187 HydrophobicContact CB-CE1 4.49Å; Q1182-Y1187 HydrophobicContact CG-CE1 4.27Å |
| 1183 | N | 87.5 | Confident | 82.7 | Confident | 103 Ų | 103 | 64.4 Ų | 64.4 | 55% | 0.551 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -85 | -13.1 | 178.6 | -82.5 | -70.3 | 0 | 0 | 0 | 115.5 | E1179 Q1180 I1181 K1188 | E1179-N1183 VanDerWaalsContact O-CB 3.3Å; E1179-N1183 WeakPolarHBondContact O-CB 3.5Å; E1179-N1183 PolarHBondContact O-N 2.9Å; E1179-N1183 PolarHBondContact O-ND2 3.42Å; Q1180-N1183 PolarHBondContact O-N 3.38Å; I1181-N1183 PolarHBondContact O-N 3.41Å; I1181-N1183 VanDerWaalsContact O-N 3.16Å; N1183-K1188 WeakPolarHBondContact O-CE 3.48Å; N1183-K1188 PolarHBondContact O-NZ 3.4Å; N1183-K1188 PolarHBondContact OD1-NZ 3Å |
| 1184 | C | 87.6 | Confident | 80.4 | Confident | 9 Ų | 9 | 68.1 Ų | 68.1 | 6% | 0.061 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -70.6 | 153.9 | -179.8 | 84.4 | 0 | 0 | 0 | 0 | 112.3 | V1112 Q1180 I1181 F1186 Y1187 K1188 | V1112-C1184 HydrophobicContact CG2-CB 3.77Å; Q1180-C1184 PolarHBondContact O-N 2.83Å; Q1180-C1184 VanDerWaalsContact O-N 3.14Å; I1181-C1184 PolarHBondContact O-N 3.36Å; I1181-C1184 PolarHBondContact O-SG 3.11Å; C1184-F1186 VanDerWaalsContact C-N 3.32Å; C1184-F1186 PolarHBondContact O-N 2.73Å; C1184-Y1187 PolarHBondContact O-N 3.02Å; C1184-Y1187 PolarHBondContact SG-N 3.14Å; C1184-K1188 WeakPolarHBondContact O-CG 3.47Å; C1184-K1188 PolarHBondContact O-N 3.35Å; C1184-K1188 VanDerWaalsContact O-N 3.12Å |
| 1185 | E | 83.1 | Confident | 77.9 | Confident | 115 Ų | 115 | 73.6 Ų | 73.6 | 54% | 0.537 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.9 | -34.4 | -178.7 | -60.9 | -168.9 | 160.5 | 0 | 0 | 112.7 | G1110 Y1187 K1188 R1189 | G1110-E1185 PolarHBondContact O-N 2.94Å; E1185-Y1187 VanDerWaalsContact C-N 3.31Å; E1185-Y1187 PolarHBondContact O-N 3.1Å; E1185-K1188 PolarHBondContact O-N 3.2Å; E1185-R1189 VanDerWaalsContact CB-NH2 3.27Å; E1185-R1189 VanDerWaalsContact O-CB 3.31Å; E1185-R1189 WeakPolarHBondContact O-CB 3.23Å; E1185-R1189 WeakPolarHBondContact O-CG 3.35Å; E1185-R1189 PolarHBondContact O-N 3.33Å; E1185-R1189 IonicContact OE2-CZ 2.64Å; E1185-R1189 VanDerWaalsContact OE2-CZ 3.22Å; E1185-R1189 IonicContact OE2-NH1 2.73Å; E1185-R1189 PolarHBondContact OE2-NH1 2.82Å; E1185-R1189 IonicContact OE2-NH2 2.67Å; E1185-R1189 PolarHBondContact OE2-NH2 3.47Å |
| 1186 | F | 85 | Confident | 75.2 | Confident | 20 Ų | 20 | 78.6 Ų | 78.6 | 9% | 0.088 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62 | -38.6 | 178.6 | 179.6 | -86.1 | 0 | 0 | 0 | 112.3 | V1100 N1103 F1104 N1109 G1110 A1111 C1184 R1190 | V1100-F1186 HydrophobicContact CG1-CE1 4.03Å; V1100-F1186 HydrophobicContact CG2-CE1 4.36Å; V1100-F1186 HydrophobicContact CG2-CZ 4.34Å; N1103-F1186 HydrophobicContact CB-CD2 4.31Å; N1103-F1186 HydrophobicContact CB-CE2 3.78Å; N1103-F1186 HydrophobicContact CB-CZ 3.9Å; N1103-F1186 VanDerWaalsContact CG-CE2 3.49Å; F1104-F1186 AromaticContact CE2-CD1 3.98Å; F1104-F1186 HydrophobicContact CE2-CD1 3.98Å; F1104-F1186 HydrophobicContact CE2-CE1 4.05Å; F1104-F1186 AromaticContact CZ-CD1 3.84Å; F1104-F1186 HydrophobicContact CZ-CD1 3.84Å; F1104-F1186 HydrophobicContact CZ-CE1 4.38Å; N1109-F1186 HydrophobicContact CB-CD2 3.8Å; N1109-F1186 HydrophobicContact CB-CE2 4.16Å; G1110-F1186 PolarHBondContact O-N 3.08Å; G1110-F1186 VanDerWaalsContact O-N 3.1Å; A1111-F1186 HydrophobicContact CB-CB 3.91Å; A1111-F1186 HydrophobicContact CB-CD2 4.48Å; A1111-F1186 HydrophobicContact CB-CG 4.08Å; C1184-F1186 VanDerWaalsContact C-N 3.32Å; C1184-F1186 PolarHBondContact O-N 2.73Å; F1186-R1190 PolarHBondContact O-N 3.36Å |
| 1187 | Y | 84.4 | Confident | 72.6 | Confident | 29 Ų | 29 | 81.6 Ų | 81.6 | 11% | 0.114 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -70.7 | -49.2 | 174.8 | -168.8 | -98.3 | 0 | 0 | 0 | 110.5 | L1091 I1181 Q1182 C1184 E1185 R1189 R1190 T1191 | L1091-Y1187 HydrophobicContact CB-CE2 3.89Å; L1091-Y1187 HydrophobicContact CD1-CD2 4.32Å; L1091-Y1187 HydrophobicContact CD1-CE2 3.88Å; L1091-Y1187 HydrophobicContact CG-CD2 4.43Å; L1091-Y1187 HydrophobicContact CG-CE2 3.84Å; I1181-Y1187 HydrophobicContact CG2-CD2 4.21Å; I1181-Y1187 WeakPolarHBondContact O-CB 3.22Å; Q1182-Y1187 HydrophobicContact CB-CD1 4.49Å; Q1182-Y1187 HydrophobicContact CB-CE1 4.49Å; Q1182-Y1187 HydrophobicContact CG-CE1 4.27Å; C1184-Y1187 PolarHBondContact O-N 3.02Å; C1184-Y1187 PolarHBondContact SG-N 3.14Å; E1185-Y1187 VanDerWaalsContact C-N 3.31Å; E1185-Y1187 PolarHBondContact O-N 3.1Å; Y1187-R1189 PolarHBondContact O-N 3.19Å; Y1187-R1190 CarbonylContact O-C 3.59Å; Y1187-R1190 WeakPolarHBondContact O-CA 3.42Å; Y1187-R1190 PolarHBondContact O-N 2.78Å; Y1187-T1191 HydrophobicContact CD1-CG2 3.85Å; Y1187-T1191 HydrophobicContact CE1-CG2 3.44Å; Y1187-T1191 VanDerWaalsContact CE1-CG2 3.44Å; Y1187-T1191 HydrophobicContact CE2-CG2 4.37Å; Y1187-T1191 HydrophobicContact CG-CG2 4.49Å; Y1187-T1191 PolarHBondContact O-N 3.12Å; Y1187-T1191 PolarHBondContact O-OG1 3.04Å |
| 1188 | K | 83.1 | Confident | 69.8 | Low | 88 Ų | 88 | 84.3 Ų | 84.3 | 38% | 0.383 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -55.6 | -47.2 | 178.3 | -74.3 | 168.6 | 175.3 | 162.9 | 0 | 112.5 | N1183 C1184 E1185 R1190 T1191 I1192 | N1183-K1188 WeakPolarHBondContact O-CE 3.48Å; N1183-K1188 PolarHBondContact O-NZ 3.4Å; N1183-K1188 PolarHBondContact OD1-NZ 3Å; C1184-K1188 WeakPolarHBondContact O-CG 3.47Å; C1184-K1188 PolarHBondContact O-N 3.35Å; C1184-K1188 VanDerWaalsContact O-N 3.12Å; E1185-K1188 PolarHBondContact O-N 3.2Å; K1188-R1190 PolarHBondContact O-N 2.87Å; K1188-R1190 VanDerWaalsContact O-N 3.17Å; K1188-T1191 WeakPolarHBondContact CA-OG1 3.41Å; K1188-T1191 PolarHBondContact O-N 3.36Å; K1188-T1191 PolarHBondContact O-OG1 3.14Å; K1188-I1192 WeakPolarHBondContact O-CD1 3.32Å; K1188-I1192 VanDerWaalsContact O-CG1 3.25Å; K1188-I1192 WeakPolarHBondContact O-CG1 3.48Å; K1188-I1192 PolarHBondContact O-N 3.27Å |
| 1189 | R | 77.3 | Confident | 67.2 | Low | 138 Ų | 138 | 89.4 Ų | 89.4 | 52% | 0.521 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.2 | -16.2 | 174.8 | -79.1 | -169.1 | -80.6 | -92.7 | 1.3 | 114.5 | N1109 E1185 Y1187 | N1109-R1189 PolarHBondContact O-NH2 3.47Å; E1185-R1189 VanDerWaalsContact CB-NH2 3.27Å; E1185-R1189 VanDerWaalsContact O-CB 3.31Å; E1185-R1189 WeakPolarHBondContact O-CB 3.23Å; E1185-R1189 WeakPolarHBondContact O-CG 3.35Å; E1185-R1189 PolarHBondContact O-N 3.33Å; E1185-R1189 IonicContact OE2-CZ 2.64Å; E1185-R1189 VanDerWaalsContact OE2-CZ 3.22Å; E1185-R1189 IonicContact OE2-NH1 2.73Å; E1185-R1189 PolarHBondContact OE2-NH1 2.82Å; E1185-R1189 IonicContact OE2-NH2 2.67Å; E1185-R1189 PolarHBondContact OE2-NH2 3.47Å; Y1187-R1189 PolarHBondContact O-N 3.19Å |
| 1190 | R | 69 | Low | 64.4 | Low | 127 Ų | 127 | 91.3 Ų | 91.3 | 48% | 0.479 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -100.4 | -26.2 | 176.2 | -169.2 | 178.3 | -66.8 | -114.6 | 0.4 | 112.9 | F1186 Y1187 K1188 | F1186-R1190 PolarHBondContact O-N 3.36Å; Y1187-R1190 CarbonylContact O-C 3.59Å; Y1187-R1190 WeakPolarHBondContact O-CA 3.42Å; Y1187-R1190 PolarHBondContact O-N 2.78Å; K1188-R1190 PolarHBondContact O-N 2.87Å; K1188-R1190 VanDerWaalsContact O-N 3.17Å |
| 1191 | T | 63.1 | Low | 62 | Low | 79 Ų | 79 | 91.3 Ų | 91.3 | 49% | 0.485 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -86.6 | -17.4 | 174.9 | 53.4 | 0 | 0 | 0 | 0 | 113.9 | Y1187 K1188 I1193 | Y1187-T1191 HydrophobicContact CD1-CG2 3.85Å; Y1187-T1191 HydrophobicContact CE1-CG2 3.44Å; Y1187-T1191 VanDerWaalsContact CE1-CG2 3.44Å; Y1187-T1191 HydrophobicContact CE2-CG2 4.37Å; Y1187-T1191 HydrophobicContact CG-CG2 4.49Å; Y1187-T1191 PolarHBondContact O-N 3.12Å; Y1187-T1191 PolarHBondContact O-OG1 3.04Å; K1188-T1191 WeakPolarHBondContact CA-OG1 3.41Å; K1188-T1191 PolarHBondContact O-N 3.36Å; K1188-T1191 PolarHBondContact O-OG1 3.14Å; T1191-I1193 PolarHBondContact O-N 2.99Å; T1191-I1193 VanDerWaalsContact O-N 3.12Å |
| 1192 | I | 56.3 | Low | 59.8 | Low | 91 Ų | 91 | 96.6 Ų | 96.6 | 47% | 0.467 | 53% | 0.534 | S | S | . | . | | | trans | -71.5 | 102.2 | 166.3 | -66.5 | 161.5 | 0 | 0 | 0 | 107.3 | K1188 D1194 | K1188-I1192 WeakPolarHBondContact O-CD1 3.32Å; K1188-I1192 VanDerWaalsContact O-CG1 3.25Å; K1188-I1192 WeakPolarHBondContact O-CG1 3.48Å; K1188-I1192 PolarHBondContact O-N 3.27Å; I1192-D1194 VanDerWaalsContact CG2-CG 3.49Å; I1192-D1194 WeakPolarHBondContact CG2-OD1 3.47Å |
| 1193 | I | 49.5 | Very low | 57.3 | Low | 156 Ų | 156 | 100.6 Ų | 100.6 | 80% | 0.8 | 56% | 0.561 | S | S | * | * | | | trans | -86.7 | 100.6 | 155.6 | -58.6 | 174.1 | 0 | 0 | 0 | 104.7 | T1191 P1195 | T1191-I1193 PolarHBondContact O-N 2.99Å; T1191-I1193 VanDerWaalsContact O-N 3.12Å; I1193-P1195 WeakPolarHBondContact O-CD 3.42Å |
| 1194 | D | 40.5 | Very low | 55 | Low | 122 Ų | 122 | 102.5 Ų | 102.5 | 65% | 0.652 | 57% | 0.571 | S | S | * | * | | | trans | -62.7 | 123 | 174 | -70.2 | -61.7 | 0 | 0 | 0 | 109.4 | I1192 | I1192-D1194 VanDerWaalsContact CG2-CG 3.49Å; I1192-D1194 WeakPolarHBondContact CG2-OD1 3.47Å |
| 1195 | P | 40.7 | Very low | 52.7 | Low | 114 Ų | 114 | 108.6 Ų | 108.6 | 74% | 0.74 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -72.2 | 128.8 | 166.3 | 30.8 | -30.8 | 0 | 0 | 0 | 108.4 | I1193 | I1193-P1195 WeakPolarHBondContact O-CD 3.42Š|
| 1196 | D | 34.5 | Very low | 50.6 | Low | 153 Ų | 153 | 106.4 Ų | 106.4 | 82% | 0.818 | 61% | 0.611 | S | S | * | * | | | trans | 61.5 | 92.3 | -176 | -63.6 | -43.1 | 0 | 0 | 0 | 116.3 | | |
| 1197 | D | 37.8 | Very low | 48.2 | Very low | 151 Ų | 151 | 114.8 Ų | 114.8 | 81% | 0.807 | 65% | 0.648 | S | S | * | * | | | trans | -131.2 | 41.4 | 131.4 | -137 | -14.1 | 0 | 0 | 0 | 110.6 | T1199 | D1197-T1199 PolarHBondContact O-N 3.11Š|
| 1198 | G | 33.6 | Very low | 46 | Very low | 70 Ų | 70 | 119.1 Ų | 119.1 | 72% | 0.722 | 68% | 0.682 | S | S | * | * | | | trans | -76 | 0.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1199 | T | 37.3 | Very low | 43.7 | Very low | 108 Ų | 108 | 120.1 Ų | 120.1 | 66% | 0.663 | 70% | 0.7 | S | S | * | * | | | trans | -141.8 | 73.5 | -177.4 | 51 | 0 | 0 | 0 | 0 | 113.1 | D1197 V1201 | D1197-T1199 PolarHBondContact O-N 3.11Å; T1199-V1201 HydrophobicContact CG2-CG2 3.89Å; T1199-V1201 PolarHBondContact O-N 3.06Å |
| 1200 | A | 33.3 | Very low | 41.9 | Very low | 100 Ų | 100 | 121.5 Ų | 121.5 | 83% | 0.826 | 72% | 0.717 | S | S | * | * | | | trans | -68.8 | 57.4 | 147.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | V1202 | A1200-V1202 PolarHBondContact O-N 3.41Š|
| 1201 | V | 39.7 | Very low | 40.4 | Very low | 104 Ų | 104 | 121.6 Ų | 121.6 | 63% | 0.63 | 73% | 0.727 | S | S | * | * | | | trans | -68.2 | 122.4 | 177.3 | 161.6 | 0 | 0 | 0 | 0 | 108.4 | T1199 T1203 | T1199-V1201 HydrophobicContact CG2-CG2 3.89Å; T1199-V1201 PolarHBondContact O-N 3.06Å; V1201-T1203 PolarHBondContact O-N 3.37Å; V1201-T1203 VanDerWaalsContact O-N 3.12Å |
| 1202 | V | 43 | Very low | 38.9 | Very low | 114 Ų | 114 | 126.7 Ų | 126.7 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | | | trans | -59.7 | 115.6 | 173.4 | 177.9 | 0 | 0 | 0 | 0 | 108.8 | A1200 N1204 | A1200-V1202 PolarHBondContact O-N 3.41Å; V1202-N1204 WeakPolarHBondContact CG1-ND2 3.27Å; V1202-N1204 PolarHBondContact O-N 2.97Å |
| 1203 | T | 37.7 | Very low | 37.7 | Very low | 121 Ų | 121 | 125.9 Ų | 125.9 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | | | trans | -71.4 | 68.9 | 179.7 | 38.4 | 0 | 0 | 0 | 0 | 112.4 | V1201 D1205 | V1201-T1203 PolarHBondContact O-N 3.37Å; V1201-T1203 VanDerWaalsContact O-N 3.12Å; T1203-D1205 VanDerWaalsContact C-N 3.3Å; T1203-D1205 PolarHBondContact O-N 2.64Å |
| 1204 | N | 39.1 | Very low | 37 | Very low | 144 Ų | 144 | 127.2 Ų | 127.2 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | | | trans | -88.2 | 68.9 | 164.3 | -83.1 | -49.3 | 0 | 0 | 0 | 110 | V1202 G1206 | V1202-N1204 WeakPolarHBondContact CG1-ND2 3.27Å; V1202-N1204 PolarHBondContact O-N 2.97Å; N1204-G1206 PolarHBondContact O-N 3.44Å |
| 1205 | D | 39 | Very low | 36.5 | Very low | 136 Ų | 136 | 126.6 Ų | 126.6 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | trans | -71.3 | 62.2 | 174.2 | -97.1 | -61.8 | 0 | 0 | 0 | 112.6 | T1203 K1207 | T1203-D1205 VanDerWaalsContact C-N 3.3Å; T1203-D1205 PolarHBondContact O-N 2.64Å; D1205-K1207 PolarHBondContact O-N 3.07Å |
| 1206 | G | 37.9 | Very low | 36.1 | Very low | 69 Ų | 69 | 128.4 Ų | 128.4 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | | | trans | -72.1 | 79.6 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | N1204 S1208 | N1204-G1206 PolarHBondContact O-N 3.44Å; G1206-S1208 PolarHBondContact O-N 3.17Å |
| 1207 | K | 35.8 | Very low | 36.2 | Very low | 196 Ų | 196 | 126.7 Ų | 126.7 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | | | trans | -39.8 | 117.3 | -175.1 | -66.7 | 174.3 | 179.7 | 174.3 | 0 | 114 | D1205 | D1205-K1207 PolarHBondContact O-N 3.07Š|
| 1208 | S | 38.2 | Very low | 35.9 | Very low | 120 Ų | 120 | 129.1 Ų | 129.1 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | | | trans | -145 | 136.3 | 150.4 | 60.9 | 0 | 0 | 0 | 0 | 109.7 | G1206 | G1206-S1208 PolarHBondContact O-N 3.17Š|
| 1209 | S | 34.8 | Very low | 35.7 | Very low | 109 Ų | 109 | 129.8 Ų | 129.8 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | | | trans | -100.5 | 127.2 | -167.2 | 54 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1210 | I | 39.5 | Very low | 35.5 | Very low | 168 Ų | 168 | 128.3 Ų | 128.3 | 86% | 0.862 | 79% | 0.792 | S | S | * | * | | | trans | -133.1 | 106.7 | 158.5 | -50.2 | 179.2 | 0 | 0 | 0 | 107 | | |
| 1211 | N | 36.3 | Very low | 35.4 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 69% | 0.69 | 79% | 0.794 | S | S | * | * | | | trans | -82.5 | 151.6 | 176.7 | -89.8 | 21.2 | 0 | 0 | 0 | 111.4 | | |
| 1212 | E | 32.5 | Very low | 35.1 | Very low | 186 Ų | 186 | 131.3 Ų | 131.3 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | | | trans | 61 | 121.8 | 155.8 | -68.3 | 164.8 | -125.2 | 0 | 0 | 118 | | |
| 1213 | G | 31.9 | Very low | 34.8 | Very low | 73 Ų | 73 | 131.7 Ų | 131.7 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | | | trans | 173.9 | -26.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 1214 | L | 34.3 | Very low | 34.6 | Very low | 185 Ų | 185 | 130.9 Ų | 130.9 | 97% | 0.969 | 79% | 0.788 | S | S | * | * | | | trans | -134.9 | 66 | -172.4 | -69.1 | 175.9 | 0 | 0 | 0 | 113.6 | | |
| 1215 | S | 28.7 | Very low | 34.5 | Very low | 108 Ų | 108 | 129.1 Ų | 129.1 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | | | trans | -104.5 | 123.7 | 158.4 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 1216 | N | 33.2 | Very low | 34.6 | Very low | 153 Ų | 153 | 128.2 Ų | 128.2 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 122.1 | 62.4 | 177.7 | -67.3 | -41.3 | 0 | 0 | 0 | 115.4 | | |
| 1217 | S | 36.6 | Very low | 34.7 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -163.9 | 154.1 | 152.8 | -88.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1218 | F | 31 | Very low | 34.8 | Very low | 201 Ų | 201 | 126.7 Ų | 126.7 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | | | trans | 57.4 | 91 | 173.3 | -95.2 | -101 | 0 | 0 | 0 | 117.3 | | |
| 1219 | G | 30.9 | Very low | 34.7 | Very low | 85 Ų | 85 | 128.6 Ų | 128.6 | 88% | 0.876 | 78% | 0.781 | S | S | * | * | | | trans | -172.9 | 98.5 | 164 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1220 | G | 31.6 | Very low | 34.9 | Very low | 76 Ų | 76 | 130.6 Ų | 130.6 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | | | trans | 142.9 | 53.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | S1222 | G1220-S1222 PolarHBondContact O-N 2.85Š|
| 1221 | L | 32.5 | Very low | 34.8 | Very low | 166 Ų | 166 | 128 Ų | 128 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | | | trans | -93.5 | 73.9 | 168.3 | -72.8 | 178.1 | 0 | 0 | 0 | 111.5 | | |
| 1222 | S | 33.3 | Very low | 34.6 | Very low | 101 Ų | 101 | 124.1 Ų | 124.1 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | | | trans | -112 | 102.3 | 165.9 | -175.6 | 0 | 0 | 0 | 0 | 109.7 | G1220 T1224 | G1220-S1222 PolarHBondContact O-N 2.85Å; S1222-T1224 VanDerWaalsContact C-N 3.34Å; S1222-T1224 PolarHBondContact O-N 3.4Å |
| 1223 | M | 35.2 | Very low | 34.6 | Very low | 123 Ų | 123 | 123.3 Ų | 123.3 | 61% | 0.606 | 78% | 0.778 | S | S | * | * | | | trans | -71.2 | 79.3 | -173.3 | -88.3 | -102.5 | -70.9 | 0 | 0 | 112.8 | A49 I1225 | A49-M1223 HydrophobicContact CB-CE 3.64Å; M1223-I1225 HydrophobicContact CE-CD1 4.23Å; M1223-I1225 PolarHBondContact O-N 3.05Å |
| 1224 | T | 35.3 | Very low | 34.3 | Very low | 103 Ų | 103 | 125.6 Ų | 125.6 | 63% | 0.632 | 78% | 0.781 | S | S | * | * | | | trans | -91.4 | 86.5 | 171.6 | -47.8 | 0 | 0 | 0 | 0 | 109.9 | S1222 T1226 | S1222-T1224 VanDerWaalsContact C-N 3.34Å; S1222-T1224 PolarHBondContact O-N 3.4Å; T1224-T1226 HydrophobicContact CG2-CG2 4.11Å; T1224-T1226 PolarHBondContact O-N 3.18Å; T1224-T1226 PolarHBondContact O-OG1 3.49Å |
| 1225 | I | 35.5 | Very low | 34.2 | Very low | 107 Ų | 107 | 123.3 Ų | 123.3 | 55% | 0.549 | 78% | 0.779 | S | S | . | * | | | trans | -66.6 | 94.9 | 179 | -56.4 | 179.4 | 0 | 0 | 0 | 109.8 | M1223 | M1223-I1225 HydrophobicContact CE-CD1 4.23Å; M1223-I1225 PolarHBondContact O-N 3.05Å |
| 1226 | T | 41.8 | Very low | 34.4 | Very low | 117 Ų | 117 | 122.8 Ų | 122.8 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | | | trans | -100.9 | 101.5 | 176.9 | 38.8 | 0 | 0 | 0 | 0 | 109.8 | T1224 G1228 | T1224-T1226 HydrophobicContact CG2-CG2 4.11Å; T1224-T1226 PolarHBondContact O-N 3.18Å; T1224-T1226 PolarHBondContact O-OG1 3.49Å; T1226-G1228 PolarHBondContact O-N 3.42Å |
| 1227 | N | 40.4 | Very low | 34.3 | Very low | 159 Ų | 159 | 125.9 Ų | 125.9 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | | | trans | -66.7 | 97 | 174.8 | -82.3 | -31 | 0 | 0 | 0 | 110.4 | N1229 | N1227-N1229 PolarHBondContact O-N 2.97Å; N1227-N1229 VanDerWaalsContact O-N 3.07Å |
| 1228 | G | 36.5 | Very low | 34.2 | Very low | 75 Ų | 75 | 124.9 Ų | 124.9 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | | | trans | -69.2 | 98.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | T1226 | T1226-G1228 PolarHBondContact O-N 3.42Š|
| 1229 | N | 37.2 | Very low | 34.2 | Very low | 160 Ų | 160 | 121.2 Ų | 121.2 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | | | trans | -152.8 | 53.7 | 158.7 | -133 | -34.3 | 0 | 0 | 0 | 112.3 | N1227 | N1227-N1229 PolarHBondContact O-N 2.97Å; N1227-N1229 VanDerWaalsContact O-N 3.07Å |
| 1230 | L | 39.3 | Very low | 34.4 | Very low | 151 Ų | 151 | 123 Ų | 123 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | -124.8 | 95.1 | 169.4 | -81.3 | 171.3 | 0 | 0 | 0 | 109.6 | | |
| 1231 | A | 36.7 | Very low | 34.6 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 94% | 0.942 | 79% | 0.785 | S | S | * | * | | | trans | -87.4 | 99.8 | 160.5 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 1232 | G | 31.6 | Very low | 34.8 | Very low | 46 Ų | 46 | 127.5 Ų | 127.5 | 47% | 0.474 | 78% | 0.779 | S | S | . | * | S | Bend | trans | 156 | 142.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1233 | D | 32.9 | Very low | 34.8 | Very low | 170 Ų | 170 | 130 Ų | 130 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | | | trans | 61.2 | 52.2 | 162.9 | -52.2 | -21 | 0 | 0 | 0 | 118.3 | | |
| 1234 | C | 27 | Very low | 34.6 | Very low | 121 Ų | 121 | 126.8 Ų | 126.8 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -136 | 40.1 | 173.6 | -75.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1235 | C | 30.2 | Very low | 34.7 | Very low | 137 Ų | 137 | 130.8 Ų | 130.8 | 93% | 0.926 | 79% | 0.794 | S | S | * | * | | | trans | -153.3 | 79.2 | 176.8 | -100.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1236 | A | 33.1 | Very low | 34.7 | Very low | 96 Ų | 96 | 133.6 Ų | 133.6 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | | | trans | -164.6 | 65.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1237 | K | 31.3 | Very low | 34.6 | Very low | 218 Ų | 218 | 136 Ų | 136 | 95% | 0.948 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -176.6 | 65.8 | 158.1 | -105.6 | 159.6 | -174.4 | -179.6 | 0 | 114.2 | | |
| 1238 | A | 34.6 | Very low | 34.3 | Very low | 97 Ų | 97 | 136.6 Ų | 136.6 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | | | trans | -150 | 146.9 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1239 | S | 30.5 | Very low | 34.1 | Very low | 124 Ų | 124 | 136.4 Ų | 136.4 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | | | trans | -85.7 | 134.8 | -172.7 | -60.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1240 | P | 35.7 | Very low | 34 | Very low | 123 Ų | 123 | 136.8 Ų | 136.8 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | | | trans | -112.6 | 109.3 | 157.8 | 33.6 | -21.3 | 0 | 0 | 0 | 111.1 | | |
| 1241 | E | 35.7 | Very low | 33.4 | Very low | 184 Ų | 184 | 135.7 Ų | 135.7 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | | | trans | -108.3 | 159.3 | 156.4 | -71.1 | -163.4 | 132.4 | 0 | 0 | 108.9 | | |
| 1242 | M | 36.5 | Very low | 33 | Very low | 152 Ų | 152 | 135.1 Ų | 135.1 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | | | trans | 75.4 | 100.9 | -166.8 | -51.3 | -65.5 | -81.5 | 0 | 0 | 112.8 | | |
| 1243 | L | 33.4 | Very low | 32.9 | Very low | 152 Ų | 152 | 142.3 Ų | 142.3 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | | | | 72.6 | 130.6 | 97 | -96.3 | 70.9 | 0 | 0 | 0 | 113.7 | | |
| 1244 | G | 32.4 | Very low | 32.8 | Very low | 57 Ų | 57 | 140.5 Ų | 140.5 | 59% | 0.588 | 79% | 0.793 | S | S | * | * | | | cis | 143.1 | 142.5 | -5.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1245 | H | 35.8 | Very low | 33 | Very low | 186 Ų | 186 | 142.4 Ų | 142.4 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | | | trans | 77.5 | 146.1 | -176.4 | -45.6 | 93.6 | 0 | 0 | 0 | 114.5 | | |
| 1246 | M | 36.7 | Very low | 33.1 | Very low | 167 Ų | 167 | 143.7 Ų | 143.7 | 82% | 0.823 | 78% | 0.782 | S | S | * | * | | | cis | -133.9 | 157.4 | 0.5 | -85.2 | -154.9 | -78 | 0 | 0 | 114.4 | | |
| 1247 | H | 38.5 | Very low | 33.2 | Very low | 168 Ų | 168 | 146 Ų | 146 | 78% | 0.778 | 78% | 0.781 | S | S | * | * | | | trans | -11.8 | 167.9 | 146.9 | -75.2 | -111.8 | 0 | 0 | 0 | 121.3 | | |
| 1248 | H | 34 | Very low | 33.3 | Very low | 171 Ų | 171 | 142.5 Ų | 142.5 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | | | cis | 172.1 | 150.1 | -31.8 | -130.4 | -79.3 | 0 | 0 | 0 | 108.2 | | |
| 1249 | G | 33.3 | Very low | 33.3 | Very low | 71 Ų | 71 | 143.9 Ų | 143.9 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | | | trans | 129.6 | 152.3 | 160.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 1250 | H | 34.2 | Very low | 33.4 | Very low | 167 Ų | 167 | 144.6 Ų | 144.6 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | | | | -167.5 | 136.4 | -80.8 | 175.2 | -105.3 | 0 | 0 | 0 | 112.7 | | |
| 1251 | L | 28.1 | Very low | 33.4 | Very low | 129 Ų | 129 | 145.3 Ų | 145.3 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | | | trans | 51.6 | 115.3 | 167.8 | -69.9 | -177.1 | 0 | 0 | 0 | 122.6 | | |
| 1252 | S | 28.3 | Very low | 33.3 | Very low | 102 Ų | 102 | 142.8 Ų | 142.8 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | | | | 34.7 | 125.1 | 111.2 | -45.8 | 0 | 0 | 0 | 0 | 122.5 | | |
| 1253 | F | 28.9 | Very low | 33.1 | Very low | 196 Ų | 196 | 138.9 Ų | 138.9 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | | | | -151 | -179.4 | 129.8 | -144 | -109 | 0 | 0 | 0 | 113 | | |
| 1254 | L | 30 | Very low | 33.2 | Very low | 133 Ų | 133 | 138.8 Ų | 138.8 | 70% | 0.696 | 76% | 0.756 | S | S | * | * | | | trans | -79.5 | 153.7 | -172.2 | -54.8 | 169.4 | 0 | 0 | 0 | 114 | | |
| 1255 | Q | 32.2 | Very low | 33.1 | Very low | 161 Ų | 161 | 143.6 Ų | 143.6 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | | | | 175.1 | 174 | 112.4 | -158.9 | 50.4 | 45.6 | 0 | 0 | 110.3 | | |
| 1256 | E | 32.7 | Very low | 33.1 | Very low | 164 Ų | 164 | 139.7 Ų | 139.7 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | | | trans | -108 | 152.4 | -164.3 | -57.7 | 164.1 | 103.3 | 0 | 0 | 115.9 | | |
| 1257 | D | 34 | Very low | 32.8 | Very low | 143 Ų | 143 | 138.4 Ų | 138.4 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | | | trans | 99.1 | 155.6 | 134.2 | -144.2 | 13.2 | 0 | 0 | 0 | 122.9 | | |
| 1258 | Q | 33.9 | Very low | 32.4 | Very low | 146 Ų | 146 | 138.7 Ų | 138.7 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | | | trans | 81.6 | 109.7 | 157.7 | -77.3 | 172.7 | 83.4 | 0 | 0 | 123.7 | | |
| 1259 | T | 35.4 | Very low | 32.4 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | | | trans | 76.1 | 157.1 | 134.5 | 60 | 0 | 0 | 0 | 0 | 121.7 | | |
| 1260 | M | 31.2 | Very low | 32.1 | Very low | 139 Ų | 139 | 140.3 Ų | 140.3 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | | | cis | -175 | 148.1 | -45.4 | -110.2 | -88.2 | -79.7 | 0 | 0 | 111.9 | | |
| 1261 | L | 36.6 | Very low | 32 | Very low | 138 Ų | 138 | 141.3 Ų | 141.3 | 72% | 0.723 | 75% | 0.751 | S | S | * | * | | | trans | 71.2 | 161.3 | 164.5 | -52.8 | 160.6 | 0 | 0 | 0 | 117.9 | | |
| 1262 | T | 33.6 | Very low | 32.1 | Very low | 130 Ų | 130 | 141.1 Ų | 141.1 | 80% | 0.798 | 75% | 0.75 | S | S | * | * | | | cis | -167.1 | 150.5 | -29 | 28.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1263 | G | 32.9 | Very low | 32.2 | Very low | 71 Ų | 71 | 146.4 Ų | 146.4 | 73% | 0.732 | 76% | 0.761 | S | S | * | * | | | trans | 91.9 | 156.5 | 157.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 1264 | T | 34.4 | Very low | 32.3 | Very low | 150 Ų | 150 | 142.6 Ų | 142.6 | 92% | 0.92 | 75% | 0.754 | S | S | * | * | | | cis | -158.7 | 159 | -5 | 1.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1265 | Q | 29.9 | Very low | 32.7 | Very low | 157 Ų | 157 | 141.8 Ų | 141.8 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | | | trans | -77.7 | 172.9 | 173.5 | -89.4 | -93.1 | -18.1 | 0 | 0 | 112.3 | | |
| 1266 | P | 37.2 | Very low | 32.7 | Very low | 105 Ų | 105 | 140.6 Ų | 140.6 | 68% | 0.682 | 76% | 0.76 | S | S | * | * | | | | -163.3 | 156.3 | 50.7 | 43.5 | -19 | 0 | 0 | 0 | 124.6 | | |
| 1267 | H | 30.3 | Very low | 32.7 | Very low | 140 Ų | 140 | 135.8 Ų | 135.8 | 65% | 0.648 | 75% | 0.754 | S | S | * | * | | | trans | 59.5 | 154.5 | 132.6 | -69.5 | -55.1 | 0 | 0 | 0 | 128.2 | | |
| 1268 | F | 30.3 | Very low | 32.6 | Very low | 173 Ų | 173 | 138.1 Ų | 138.1 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | | | trans | 96 | 144 | 151 | -58.6 | -68.1 | 0 | 0 | 0 | 119.8 | | |
| 1269 | N | 32.3 | Very low | 32.7 | Very low | 139 Ų | 139 | 138.1 Ų | 138.1 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | | | cis | -167.5 | 160.5 | -38.7 | -119.9 | 22.5 | 0 | 0 | 0 | 112.7 | | |
| 1270 | N | 28.8 | Very low | 32.5 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | | | trans | -58.4 | 159.3 | -176.6 | -57.8 | -7.9 | 0 | 0 | 0 | 117.9 | | |
| 1271 | M | 31.9 | Very low | 32.5 | Very low | 188 Ų | 188 | 137.9 Ų | 137.9 | 93% | 0.926 | 77% | 0.769 | S | S | * | * | | | trans | -144.2 | 150.5 | 135 | -100 | -58.2 | -164.2 | 0 | 0 | 111.3 | | |
| 1272 | N | 29.4 | Very low | 32.2 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 66% | 0.663 | 77% | 0.77 | S | S | * | * | | | trans | -104.7 | 161 | -173.7 | -55.8 | -26.6 | 0 | 0 | 0 | 112.4 | | |
| 1273 | F | 29.6 | Very low | 32.3 | Very low | 213 Ų | 213 | 140.1 Ų | 140.1 | 93% | 0.934 | 77% | 0.771 | S | S | * | * | | | trans | -158.1 | 153 | 131.9 | -114.8 | -76.8 | 0 | 0 | 0 | 111.3 | | |
| 1274 | V | 32.6 | Very low | 32.2 | Very low | 117 Ų | 117 | 143.3 Ų | 143.3 | 71% | 0.709 | 77% | 0.768 | S | S | * | * | | | trans | -145.8 | 139.3 | -168.8 | 174.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1275 | P | 36.9 | Very low | 32.3 | Very low | 116 Ų | 116 | 140.6 Ų | 140.6 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | | | | -146.7 | 141.4 | 121.2 | 35.2 | -18.3 | 0 | 0 | 0 | 116.7 | | |
| 1276 | V | 33.8 | Very low | 32.4 | Very low | 136 Ų | 136 | 141.6 Ų | 141.6 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | | | | 32.2 | 133.3 | 126.8 | -168.2 | 0 | 0 | 0 | 0 | 119.4 | | |
| 1277 | G | 31.2 | Very low | 32.2 | Very low | 63 Ų | 63 | 139.6 Ų | 139.6 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | | | cis | 127.6 | 126.5 | -4.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1278 | M | 33.2 | Very low | 32.3 | Very low | 191 Ų | 191 | 139.1 Ų | 139.1 | 94% | 0.941 | 77% | 0.774 | S | S | * | * | | | trans | -141.2 | 141.6 | 164.8 | -74.9 | -163.1 | 75.7 | 0 | 0 | 112.3 | | |
| 1279 | N | 34.3 | Very low | 32.4 | Very low | 147 Ų | 147 | 138 Ų | 138 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | | | trans | -83.3 | 171.1 | -175.5 | -53.2 | -38 | 0 | 0 | 0 | 111 | | |
| 1280 | N | 31.6 | Very low | 32.4 | Very low | 117 Ų | 117 | 141.8 Ų | 141.8 | 63% | 0.626 | 78% | 0.78 | S | S | * | * | | | cis | -162.8 | 132.3 | -4.3 | -124.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 1281 | V | 32.7 | Very low | 32.7 | Very low | 142 Ų | 142 | 140.2 Ų | 140.2 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | | | trans | -141.5 | 122.6 | 159 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | | |
| 1282 | Y | 29.4 | Very low | 32.6 | Very low | 190 Ų | 190 | 139.1 Ų | 139.1 | 75% | 0.745 | 77% | 0.772 | S | S | * | * | | | trans | -88.9 | 125.6 | 178.8 | -84.4 | -102 | 0 | 0 | 0 | 111 | M1284 | Y1282-M1284 PolarHBondContact O-N 3.42Š|
| 1283 | P | 35.5 | Very low | 32.9 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | | | trans | -75.6 | 111 | 164.4 | 30.1 | -31 | 0 | 0 | 0 | 109.7 | | |
| 1284 | M | 31.2 | Very low | 33 | Very low | 138 Ų | 138 | 131.4 Ų | 131.4 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | | | trans | -72.9 | 126.4 | 172.4 | -93.3 | -72.7 | -82 | 0 | 0 | 110.7 | S955 Y1282 M1286 | S955-M1284 VanDerWaalsContact OG-CE 3.29Å; S955-M1284 WeakPolarHBondContact OG-CE 2.97Å; S955-M1284 PolarHBondContact OG-SD 3.23Å; Y1282-M1284 PolarHBondContact O-N 3.42Å; M1284-M1286 PolarHBondContact O-N 2.95Å |
| 1285 | A | 35.6 | Very low | 33 | Very low | 94 Ų | 94 | 132.2 Ų | 132.2 | 78% | 0.777 | 76% | 0.763 | S | S | * | * | | | trans | -83.7 | 110.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G1287 | A1285-G1287 VanDerWaalsContact C-N 3.26Å; A1285-G1287 PolarHBondContact O-N 2.93Å |
| 1286 | M | 32.1 | Very low | 32.8 | Very low | 177 Ų | 177 | 132.7 Ų | 132.7 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | | | trans | -75.7 | 74.6 | 171.6 | -78.2 | -68.1 | -79.5 | 0 | 0 | 111.6 | M1284 T1288 | M1284-M1286 PolarHBondContact O-N 2.95Å; M1286-T1288 PolarHBondContact O-N 2.93Å |
| 1287 | G | 32.9 | Very low | 32.7 | Very low | 63 Ų | 63 | 131.4 Ų | 131.4 | 65% | 0.649 | 75% | 0.754 | S | S | * | * | | | trans | -67.9 | 115.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1285 I1289 | A1285-G1287 VanDerWaalsContact C-N 3.26Å; A1285-G1287 PolarHBondContact O-N 2.93Å; G1287-I1289 PolarHBondContact O-N 2.93Å |
| 1288 | T | 33.4 | Very low | 32.9 | Very low | 130 Ų | 130 | 137.9 Ų | 137.9 | 80% | 0.798 | 77% | 0.768 | S | S | * | * | | | trans | -76.8 | 88.7 | -174 | -33.8 | 0 | 0 | 0 | 0 | 112.4 | M1286 Y1290 | M1286-T1288 PolarHBondContact O-N 2.93Å; T1288-Y1290 HydrophobicContact CG2-CD2 4.4Å |
| 1289 | I | 31.7 | Very low | 32.8 | Very low | 149 Ų | 149 | 132.5 Ų | 132.5 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | | | trans | -97.4 | 99 | 172.2 | -56 | 179 | 0 | 0 | 0 | 109.6 | G1287 | G1287-I1289 PolarHBondContact O-N 2.93Š|
| 1290 | Y | 31.8 | Very low | 32.7 | Very low | 220 Ų | 220 | 130.6 Ų | 130.6 | 86% | 0.863 | 75% | 0.751 | S | S | * | * | | | trans | -98.1 | 102.8 | 160.3 | -98.8 | -81.8 | 0 | 0 | 0 | 108.7 | T1288 | T1288-Y1290 HydrophobicContact CG2-CD2 4.4Š|
| 1291 | S | 34.8 | Very low | 32.8 | Very low | 105 Ų | 105 | 133.6 Ų | 133.6 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | | | trans | -154.4 | 125.1 | 173.2 | -68.6 | 0 | 0 | 0 | 0 | 109 | | |
| 1292 | Q | 31.1 | Very low | 32.6 | Very low | 164 Ų | 164 | 130.5 Ų | 130.5 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | | | trans | -91.5 | 128.9 | -178.5 | -63.4 | 173.3 | 0.6 | 0 | 0 | 110.3 | | |
| 1293 | S | 35.5 | Very low | 32.8 | Very low | 106 Ų | 106 | 128.2 Ų | 128.2 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | | | trans | -157.2 | 127.9 | 157.7 | 55.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1294 | A | 31.3 | Very low | 32.4 | Very low | 69 Ų | 69 | 132.5 Ų | 132.5 | 57% | 0.57 | 75% | 0.749 | S | S | * | * | | | trans | -99.9 | 141.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1295 | V | 33.6 | Very low | 32.3 | Very low | 135 Ų | 135 | 130 Ų | 130 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | | | trans | -139.8 | 138.4 | 175.5 | -178.7 | 0 | 0 | 0 | 0 | 107.3 | | |
| 1296 | P | 32.6 | Very low | 32.1 | Very low | 126 Ų | 126 | 131.7 Ų | 131.7 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | trans | -91 | 169.9 | -154.9 | 35.2 | -38.3 | 0 | 0 | 0 | 116.4 | | |
| 1297 | L | 30.7 | Very low | 32.1 | Very low | 108 Ų | 108 | 126.6 Ų | 126.6 | 57% | 0.565 | 75% | 0.749 | S | S | * | * | | | trans | -66.4 | 141.9 | 172 | -66.4 | 143.4 | 0 | 0 | 0 | 112.9 | Q1342 | L1297-Q1342 HydrophobicContact CD1-CG 4.32Å; L1297-Q1342 HydrophobicContact CD2-CG 4.35Å |
| 1298 | Q | 35.1 | Very low | 32.1 | Very low | 200 Ų | 200 | 132.5 Ų | 132.5 | 94% | 0.935 | 77% | 0.765 | S | S | * | * | | | | 177 | 157.1 | 112.6 | -97.2 | -177.9 | 5.5 | 0 | 0 | 112.2 | | |
| 1299 | G | 32.7 | Very low | 32 | Very low | 78 Ų | 78 | 129.2 Ų | 129.2 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | | | trans | 110.6 | 93.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1300 | N | 32.2 | Very low | 32.1 | Very low | 106 Ų | 106 | 130.6 Ų | 130.6 | 57% | 0.567 | 76% | 0.764 | S | S | * | * | | | trans | -72.4 | 142.2 | 169.9 | -76.2 | -34 | 0 | 0 | 0 | 111.6 | | |
| 1301 | H | 32.3 | Very low | 32.1 | Very low | 180 Ų | 180 | 126.3 Ų | 126.3 | 83% | 0.833 | 76% | 0.756 | S | S | * | * | | | | -155.8 | 142.1 | 124.4 | -122.1 | -80.5 | 0 | 0 | 0 | 112.3 | | |
| 1302 | V | 30 | Very low | 32.2 | Very low | 77 Ų | 77 | 129 Ų | 129 | 47% | 0.467 | 76% | 0.759 | S | S | . | * | | | trans | -119.5 | 134.8 | -179.3 | 170.8 | 0 | 0 | 0 | 0 | 109.4 | Y1304 N1337 | V1302-Y1304 HydrophobicContact CG1-CD2 4.35Å; V1302-Y1304 HydrophobicContact CG1-CE2 4.43Å; V1302-N1337 WeakPolarHBondContact CG2-ND2 3.35Å |
| 1303 | V | 32.4 | Very low | 32.5 | Very low | 143 Ų | 143 | 127 Ų | 127 | 87% | 0.867 | 75% | 0.754 | S | S | * | * | | | trans | -146 | 149.2 | 150.7 | -179.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 1304 | Y | 27.4 | Very low | 32.4 | Very low | 214 Ų | 214 | 129.7 Ų | 129.7 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | | | trans | -89.1 | 174.1 | -174.8 | -90.6 | -110.6 | 0 | 0 | 0 | 114.7 | V1302 | V1302-Y1304 HydrophobicContact CG1-CD2 4.35Å; V1302-Y1304 HydrophobicContact CG1-CE2 4.43Å |
| 1305 | A | 29.9 | Very low | 32.5 | Very low | 85 Ų | 85 | 131.3 Ų | 131.3 | 70% | 0.702 | 77% | 0.765 | S | S | * | * | | | trans | 115 | 102.9 | 135.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 1306 | S | 30.9 | Very low | 32.5 | Very low | 131 Ų | 131 | 133.2 Ų | 133.2 | 92% | 0.916 | 77% | 0.769 | S | S | * | * | | | | 51.1 | 124.6 | 119.9 | -50.2 | 0 | 0 | 0 | 0 | 121.8 | | |
| 1307 | G | 31.3 | Very low | 32.5 | Very low | 70 Ų | 70 | 132 Ų | 132 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | | | trans | 175.3 | 107 | 156 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 1308 | L | 33.4 | Very low | 33 | Very low | 186 Ų | 186 | 132.8 Ų | 132.8 | 97% | 0.974 | 77% | 0.773 | S | S | * | * | | | trans | 28.8 | 141.5 | 139.6 | -48 | 175.1 | 0 | 0 | 0 | 120.1 | | |
| 1309 | G | 31.3 | Very low | 33.2 | Very low | 62 Ų | 62 | 128.2 Ų | 128.2 | 64% | 0.639 | 76% | 0.761 | S | S | * | * | | | cis | 156.7 | -154.8 | 6 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1310 | I | 34.8 | Very low | 33.1 | Very low | 178 Ų | 178 | 129.1 Ų | 129.1 | 91% | 0.913 | 76% | 0.761 | S | S | * | * | | | trans | 81 | 139.2 | 172.1 | -50.5 | 166.9 | 0 | 0 | 0 | 115.6 | | |
| 1311 | D | 31 | Very low | 33.2 | Very low | 129 Ų | 129 | 128 Ų | 128 | 69% | 0.69 | 77% | 0.766 | S | S | * | * | | | cis | -173.4 | 157.3 | -35.6 | -163.1 | -11.6 | 0 | 0 | 0 | 106.3 | | |
| 1312 | M | 36.5 | Very low | 33.2 | Very low | 162 Ų | 162 | 124 Ų | 124 | 80% | 0.798 | 76% | 0.758 | S | S | * | * | | | trans | 174.2 | 93.5 | 145.7 | -95.3 | -61.8 | 163.1 | 0 | 0 | 110.8 | | |
| 1313 | N | 37.6 | Very low | 33.2 | Very low | 122 Ų | 122 | 127.6 Ų | 127.6 | 65% | 0.652 | 77% | 0.77 | S | S | * | * | | | trans | 34.3 | 117.6 | 139.6 | -55.9 | -62.2 | 0 | 0 | 0 | 118.1 | | |
| 1314 | N | 33 | Very low | 33.3 | Very low | 162 Ų | 162 | 126.9 Ų | 126.9 | 87% | 0.866 | 76% | 0.762 | S | S | * | * | | | | -165.5 | 136.6 | 71.3 | -161.2 | 23.3 | 0 | 0 | 0 | 111.4 | | |
| 1315 | P | 33.5 | Very low | 33.5 | Very low | 103 Ų | 103 | 120.9 Ų | 120.9 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | | | trans | -104.3 | 144.9 | -170.2 | 37.3 | -32.7 | 0 | 0 | 0 | 115.4 | | |
| 1316 | I | 34.1 | Very low | 33.6 | Very low | 176 Ų | 176 | 125.6 Ų | 125.6 | 90% | 0.903 | 76% | 0.761 | S | S | * | * | | | trans | -132.4 | 97 | 147.3 | -59.3 | -176.4 | 0 | 0 | 0 | 108.6 | | |
| 1317 | C | 33.3 | Very low | 33.6 | Very low | 101 Ų | 101 | 126 Ų | 126 | 68% | 0.682 | 75% | 0.753 | S | S | * | * | | | trans | -89.9 | 160.3 | 160.2 | -112.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 1318 | P | 40 | Very low | 33.7 | Very low | 124 Ų | 124 | 125.9 Ų | 125.9 | 81% | 0.805 | 75% | 0.751 | S | S | * | * | | | | -139.9 | 168.6 | 84.8 | 24.1 | -1.6 | 0 | 0 | 0 | 115.8 | | |
| 1319 | P | 38.7 | Very low | 33.8 | Very low | 104 Ų | 104 | 122.1 Ų | 122.1 | 68% | 0.675 | 74% | 0.741 | S | S | * | * | | | trans | -140.9 | -158 | -145 | 44.6 | -25.1 | 0 | 0 | 0 | 115.3 | | |
| 1320 | A | 32.1 | Very low | 33.7 | Very low | 96 Ų | 96 | 126.5 Ų | 126.5 | 79% | 0.793 | 75% | 0.749 | S | S | * | * | | | trans | 70.9 | 158.8 | 156.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 1321 | A | 34.2 | Very low | 33.7 | Very low | 82 Ų | 82 | 124.3 Ų | 124.3 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | | | cis | -133.6 | 157.2 | 1.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 1322 | S | 31.7 | Very low | 33.7 | Very low | 96 Ų | 96 | 122.9 Ų | 122.9 | 67% | 0.671 | 75% | 0.752 | S | S | * | * | | | cis | 65 | 142.1 | 39.5 | 99.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1323 | E | 30.6 | Very low | 33.5 | Very low | 153 Ų | 153 | 119.7 Ų | 119.7 | 72% | 0.715 | 75% | 0.752 | S | S | * | * | | | cis | -169.9 | 172.7 | 6.5 | -143.7 | 171 | -125.7 | 0 | 0 | 112.8 | | |
| 1324 | N | 33.1 | Very low | 33.2 | Very low | 129 Ų | 129 | 120 Ų | 120 | 69% | 0.69 | 76% | 0.758 | S | S | * | * | | | trans | 72.4 | 132.5 | 159.1 | -55.3 | -42.8 | 0 | 0 | 0 | 119.1 | | |
| 1325 | A | 32.2 | Very low | 33.1 | Very low | 87 Ų | 87 | 117.7 Ų | 117.7 | 72% | 0.719 | 75% | 0.749 | S | S | * | * | | | cis | 84.9 | 117.6 | 14.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 1326 | F | 32.2 | Very low | 33 | Very low | 184 Ų | 184 | 119.9 Ų | 119.9 | 81% | 0.807 | 75% | 0.75 | S | S | * | * | | | trans | -179.6 | 157.7 | 159.8 | -127.5 | -89.8 | 0 | 0 | 0 | 110.4 | Q114 | Q114-F1326 PolarHBondContact NE2-O 3.29Š|
| 1327 | D | 30.9 | Very low | 32.6 | Very low | 140 Ų | 140 | 115 Ų | 115 | 75% | 0.749 | 73% | 0.726 | S | S | * | * | | | | -156.5 | 160.7 | -61.1 | -163.5 | -11.4 | 0 | 0 | 0 | 107.1 | | |
| 1328 | G | 33.4 | Very low | 32.6 | Very low | 67 Ų | 67 | 121.2 Ų | 121.2 | 69% | 0.691 | 74% | 0.736 | S | S | * | * | | | trans | 178.6 | 63.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 1329 | S | 35.2 | Very low | 31.9 | Very low | 107 Ų | 107 | 124.3 Ų | 124.3 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | | | trans | 36.4 | 104.1 | 149 | -171.3 | 0 | 0 | 0 | 0 | 122 | | |
| 1330 | L | 28.9 | Very low | 31.3 | Very low | 154 Ų | 154 | 123.9 Ų | 123.9 | 81% | 0.806 | 73% | 0.732 | S | S | * | * | | | | 23.8 | 138.1 | 118.6 | -65.6 | 176.6 | 0 | 0 | 0 | 120 | | |
| 1331 | P | 35.8 | Very low | 31.2 | Very low | 132 Ų | 132 | 131.3 Ų | 131.3 | 86% | 0.857 | 74% | 0.739 | S | S | * | * | | | | -135.2 | 174 | 76.3 | 40 | -28 | 0 | 0 | 0 | 116.1 | | |
| 1332 | A | 29.6 | Very low | 31.1 | Very low | 100 Ų | 100 | 132.1 Ų | 132.1 | 83% | 0.826 | 73% | 0.729 | S | S | * | * | | | trans | -94.2 | 141.8 | -165.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1333 | A | 33.2 | Very low | 30.9 | Very low | 95 Ų | 95 | 133.2 Ų | 133.2 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | | | trans | -144.2 | 111.4 | 158.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1334 | V | 31.3 | Very low | 30.8 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 78% | 0.782 | 73% | 0.733 | S | S | * | * | | | trans | 41.4 | 114 | 130.4 | -178.1 | 0 | 0 | 0 | 0 | 119 | | |
| 1335 | V | 30.1 | Very low | 30.5 | Very low | 113 Ų | 113 | 132.5 Ų | 132.5 | 69% | 0.685 | 73% | 0.734 | S | S | * | * | | | trans | 41.9 | 122.4 | 130.4 | -171.3 | 0 | 0 | 0 | 0 | 116.7 | | |
| 1336 | E | 32.3 | Very low | 30.5 | Very low | 148 Ų | 148 | 134.4 Ų | 134.4 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | | | | -160.7 | 149.9 | 66.5 | -160.8 | 161.1 | -122.1 | 0 | 0 | 115.4 | | |
| 1337 | N | 26.5 | Very low | 30.5 | Very low | 74 Ų | 74 | 127.5 Ų | 127.5 | 40% | 0.396 | 72% | 0.717 | S | S | . | * | | | trans | -69.2 | 131.6 | 168.8 | -76.1 | -35.4 | 0 | 0 | 0 | 111.3 | V1302 | V1302-N1337 WeakPolarHBondContact CG2-ND2 3.35Š|
| 1338 | R | 32 | Very low | 30.3 | Very low | 232 Ų | 232 | 130 Ų | 130 | 88% | 0.875 | 72% | 0.717 | S | S | * | * | | | trans | -121.4 | 39.9 | 156.2 | -73 | -161.8 | -176.8 | -179 | 4.6 | 114.2 | | |
| 1339 | F | 25.6 | Very low | 30.2 | Very low | 189 Ų | 189 | 134 Ų | 134 | 83% | 0.829 | 72% | 0.72 | S | S | * | * | | | trans | -63 | 163.7 | 130.4 | -109.3 | -96.9 | 0 | 0 | 0 | 109 | | |
| 1340 | V | 27.3 | Very low | 30 | Very low | 94 Ų | 94 | 135 Ų | 135 | 57% | 0.57 | 72% | 0.717 | S | S | * | * | | | trans | 76.2 | 82.7 | -174.2 | -167.8 | 0 | 0 | 0 | 0 | 113.9 | Q1342 | V1340-Q1342 HydrophobicContact CG1-CB 4.31Å; V1340-Q1342 HydrophobicContact CG1-CG 3.34Å |
| 1341 | R | 29.9 | Very low | 30 | Very low | 252 Ų | 252 | 137.4 Ų | 137.4 | 95% | 0.951 | 72% | 0.716 | S | S | * | * | | | | -83 | 126.2 | 122.7 | -91.6 | -171.2 | 173.2 | -108.7 | 0.6 | 106.4 | S1343 | R1341-S1343 PolarHBondContact O-N 2.81Š|
| 1342 | Q | 30.6 | Very low | 29.7 | Very low | 100 Ų | 100 | 139.7 Ų | 139.7 | 47% | 0.467 | 72% | 0.718 | S | S | . | * | | | trans | -70.6 | 122.3 | -174.3 | -67.3 | 171.7 | -3.3 | 0 | 0 | 110.5 | L1297 V1340 Q1344 | L1297-Q1342 HydrophobicContact CD1-CG 4.32Å; L1297-Q1342 HydrophobicContact CD2-CG 4.35Å; V1340-Q1342 HydrophobicContact CG1-CB 4.31Å; V1340-Q1342 HydrophobicContact CG1-CG 3.34Å; Q1342-Q1344 HydrophobicContact CB-CG 3.82Å; Q1342-Q1344 PolarHBondContact O-N 3.09Å |
| 1343 | S | 27.4 | Very low | 29.8 | Very low | 119 Ų | 119 | 143.6 Ų | 143.6 | 83% | 0.832 | 72% | 0.719 | S | S | * | * | | | trans | -65.8 | 81 | 149.8 | 43.2 | 0 | 0 | 0 | 0 | 108.3 | R1341 N1345 | R1341-S1343 PolarHBondContact O-N 2.81Å; S1343-N1345 PolarHBondContact O-N 2.93Å |
| 1344 | Q | 29.8 | Very low | 29.7 | Very low | 135 Ų | 135 | 143.9 Ų | 143.9 | 63% | 0.631 | 72% | 0.721 | S | S | * | * | | | trans | -68.2 | 109.3 | 171.2 | -71.2 | -161.1 | -2.9 | 0 | 0 | 108.4 | Q1342 V1346 | Q1342-Q1344 HydrophobicContact CB-CG 3.82Å; Q1342-Q1344 PolarHBondContact O-N 3.09Å; Q1344-V1346 VanDerWaalsContact C-N 3.3Å; Q1344-V1346 HydrophobicContact CB-CG2 4.42Å; Q1344-V1346 PolarHBondContact O-N 3.29Å |
| 1345 | N | 27.4 | Very low | 29.7 | Very low | 132 Ų | 132 | 146.7 Ų | 146.7 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | | | trans | -76.7 | 80.3 | -178.5 | -169.2 | -5.9 | 0 | 0 | 0 | 109.1 | S1343 G1347 | S1343-N1345 PolarHBondContact O-N 2.93Å; N1345-G1347 VanDerWaalsContact C-N 3.34Å; N1345-G1347 PolarHBondContact O-N 3.04Å |
| 1346 | V | 31 | Very low | 29.8 | Very low | 127 Ų | 127 | 150.8 Ų | 150.8 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | | | trans | -75 | 85.8 | -175.5 | -174.7 | 0 | 0 | 0 | 0 | 110.4 | Q1344 | Q1344-V1346 VanDerWaalsContact C-N 3.3Å; Q1344-V1346 HydrophobicContact CB-CG2 4.42Å; Q1344-V1346 PolarHBondContact O-N 3.29Å |
| 1347 | G | 31.5 | Very low | 29.8 | Very low | 39 Ų | 39 | 151.8 Ų | 151.8 | 40% | 0.402 | 74% | 0.742 | S | S | . | * | | | trans | -66.1 | 156.1 | 156.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | N1345 M1349 | N1345-G1347 VanDerWaalsContact C-N 3.34Å; N1345-G1347 PolarHBondContact O-N 3.04Å; G1347-M1349 PolarHBondContact O-N 3.24Å |
| 1348 | Y | 27.6 | Very low | 30 | Very low | 193 Ų | 193 | 155 Ų | 155 | 76% | 0.757 | 76% | 0.763 | S | S | * | * | | | trans | -53.4 | 130.8 | 176.5 | -96.2 | -115.7 | 0 | 0 | 0 | 113 | | |
| 1349 | M | 30.3 | Very low | 29.9 | Very low | 151 Ų | 151 | 150.3 Ų | 150.3 | 74% | 0.744 | 75% | 0.752 | S | S | * | * | | | | 171.7 | 148.9 | 110.6 | -86.8 | -52.1 | 177.5 | 0 | 0 | 113.1 | G1347 | G1347-M1349 PolarHBondContact O-N 3.24Š|
| 1350 | D | 31.6 | Very low | 30 | Very low | 128 Ų | 128 | 147.9 Ų | 147.9 | 68% | 0.684 | 74% | 0.743 | S | S | * | * | | | trans | 29 | 117.2 | 153 | -72.9 | -23.1 | 0 | 0 | 0 | 119.7 | | |
| 1351 | Y | 30.4 | Very low | 30.1 | Very low | 204 Ų | 204 | 148.8 Ų | 148.8 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | | | | -164.5 | 149.9 | 54.9 | -117.6 | -78.3 | 0 | 0 | 0 | 113.3 | | |
| 1352 | M | 27.9 | Very low | 30 | Very low | 180 Ų | 180 | 144 Ų | 144 | 89% | 0.887 | 75% | 0.749 | S | S | * | * | | | trans | -89.5 | 102.7 | 163.8 | -92.7 | -99.3 | -70 | 0 | 0 | 110.8 | | |
| 1353 | Q | 31.4 | Very low | 30.1 | Very low | 182 Ų | 182 | 143.8 Ų | 143.8 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | | | trans | -158.8 | 102.2 | 161.2 | -163.5 | 164.4 | 17.1 | 0 | 0 | 114.4 | | |
| 1354 | A | 32.7 | Very low | 30.1 | Very low | 100 Ų | 100 | 146.3 Ų | 146.3 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | | | trans | 166.4 | 84.5 | 144.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1355 | Q | 30 | Very low | 30.2 | Very low | 189 Ų | 189 | 146.2 Ų | 146.2 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | | | trans | -83.4 | 144 | 159.7 | -72.4 | -179.1 | -25.4 | 0 | 0 | 109 | | |
| 1356 | Q | 33.6 | Very low | 30.3 | Very low | 199 Ų | 199 | 146.8 Ų | 146.8 | 93% | 0.93 | 77% | 0.772 | S | S | * | * | | | trans | -139.3 | 144.7 | 153.8 | -106.4 | -179.8 | -2 | 0 | 0 | 109.6 | | |
| 1357 | E | 31.5 | Very low | 30.3 | Very low | 169 Ų | 169 | 147.4 Ų | 147.4 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | | | trans | -86.5 | 157.4 | -165.9 | -60.9 | 159 | 72.7 | 0 | 0 | 113.4 | | |
| 1358 | V | 30.8 | Very low | 30.2 | Very low | 140 Ų | 140 | 152.8 Ų | 152.8 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | | | trans | -129 | 139.6 | 145.2 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 1359 | Q | 29 | Very low | 30.6 | Very low | 135 Ų | 135 | 147.7 Ų | 147.7 | 63% | 0.631 | 77% | 0.772 | S | S | * | * | | | trans | -70.1 | 159.6 | -160.5 | -66.8 | 71.4 | 30.2 | 0 | 0 | 115.7 | | |
| 1360 | Q | 28.3 | Very low | 30.5 | Very low | 138 Ų | 138 | 148.6 Ų | 148.6 | 65% | 0.645 | 77% | 0.772 | S | S | * | * | | | | -150.5 | 150 | 119.1 | -113.8 | 148.8 | 87.9 | 0 | 0 | 113.6 | Y935 | Y935-Q1360 VanDerWaalsContact CD1-OE1 3.23Å; Y935-Q1360 HydrophobicContact CE1-CG 4.44Å |
| 1361 | P | 29.7 | Very low | 30.5 | Very low | 112 Ų | 112 | 150.3 Ų | 150.3 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | trans | -112.8 | 158.9 | -166.7 | 40.7 | -32.1 | 0 | 0 | 0 | 115.1 | | |
| 1362 | V | 28.5 | Very low | 30.5 | Very low | 152 Ų | 152 | 148 Ų | 148 | 92% | 0.921 | 77% | 0.77 | S | S | * | * | | | trans | -137.4 | 145 | 155 | -177.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 1363 | A | 30.9 | Very low | 30.7 | Very low | 95 Ų | 95 | 148.2 Ų | 148.2 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 173.7 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 1364 | Q | 28.6 | Very low | 31.1 | Very low | 172 Ų | 172 | 144.6 Ų | 144.6 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 157.1 | -172.3 | -57.6 | 164.5 | -13.7 | 0 | 0 | 114 | | |
| 1365 | P | 32.6 | Very low | 31.1 | Very low | 133 Ų | 133 | 146.9 Ų | 146.9 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 152.1 | 148.7 | 35.6 | -30.7 | 0 | 0 | 0 | 111.3 | | |
| 1366 | Q | 28.7 | Very low | 31.3 | Very low | 144 Ų | 144 | 144.7 Ų | 144.7 | 67% | 0.673 | 76% | 0.759 | S | S | * | * | | | trans | -137.8 | 122.8 | -163.2 | -180 | -177.2 | -15 | 0 | 0 | 113.4 | | |
| 1367 | Q | 30.6 | Very low | 31.2 | Very low | 141 Ų | 141 | 141.5 Ų | 141.5 | 66% | 0.659 | 75% | 0.753 | S | S | * | * | | | trans | 67.8 | 165.7 | 150.6 | -69.3 | 174.8 | -12.2 | 0 | 0 | 117.3 | | |
| 1368 | Q | 30.2 | Very low | 31.3 | Very low | 152 Ų | 152 | 139.4 Ų | 139.4 | 71% | 0.71 | 75% | 0.751 | S | S | * | * | | | cis | -161.4 | -163.6 | -2.9 | -120.4 | 175.8 | 25 | 0 | 0 | 109.5 | | |
| 1369 | P | 35 | Very low | 32.3 | Very low | 86 Ų | 86 | 138.1 Ų | 138.1 | 56% | 0.558 | 75% | 0.746 | S | S | * | * | | | | -137.4 | -143.4 | -85.9 | 41.3 | -16.9 | 0 | 0 | 0 | 114.5 | | |
| 1370 | F | 28.5 | Very low | 32.7 | Very low | 170 Ų | 170 | 137.5 Ų | 137.5 | 75% | 0.746 | 75% | 0.754 | S | S | * | * | | | trans | 87.3 | 137.8 | 167.1 | -64.6 | -54.9 | 0 | 0 | 0 | 117.6 | | |
| 1371 | K | 31.4 | Very low | 33.2 | Very low | 164 Ų | 164 | 137.1 Ų | 137.1 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | | | cis | -152.2 | 173.9 | -3.5 | -152.6 | 150.5 | -171.9 | 176 | 0 | 114.1 | | |
| 1372 | E | 31.6 | Very low | 33.5 | Very low | 156 Ų | 156 | 137.7 Ų | 137.7 | 73% | 0.729 | 77% | 0.77 | S | S | * | * | | | trans | -70.3 | -178.1 | -176.1 | -49.5 | 111.3 | 145.3 | 0 | 0 | 114.8 | | |
| 1373 | E | 32.1 | Very low | 34 | Very low | 184 Ų | 184 | 136.2 Ų | 136.2 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | | | cis | -155.5 | 170 | 18.7 | -124.2 | -152.9 | 134.9 | 0 | 0 | 112.7 | | |
| 1374 | P | 37.9 | Very low | 34 | Very low | 106 Ų | 106 | 138.1 Ų | 138.1 | 69% | 0.688 | 77% | 0.768 | S | S | * | * | | | trans | -117.5 | 167.7 | -174.8 | 42 | -31.8 | 0 | 0 | 0 | 116.7 | | |
| 1375 | V | 34.2 | Very low | 34.3 | Very low | 148 Ų | 148 | 136.9 Ų | 136.9 | 90% | 0.897 | 77% | 0.772 | S | S | * | * | | | trans | -137.5 | 147.1 | 170.8 | -176.6 | 0 | 0 | 0 | 0 | 112 | | |
| 1376 | N | 32.9 | Very low | 34.2 | Very low | 142 Ų | 142 | 139.8 Ų | 139.8 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | | | trans | -100.8 | 167.6 | 179.4 | -93.1 | -90.3 | 0 | 0 | 0 | 112.8 | | |
| 1377 | V | 32.7 | Very low | 34.5 | Very low | 132 Ų | 132 | 137.4 Ų | 137.4 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | | | | 178.7 | 122.3 | 126.5 | 146.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1378 | V | 34.2 | Very low | 34.7 | Very low | 125 Ų | 125 | 142.6 Ų | 142.6 | 76% | 0.758 | 79% | 0.793 | S | S | * | * | | | trans | 33.8 | 133.5 | 142.7 | -166.5 | 0 | 0 | 0 | 0 | 122.7 | | |
| 1379 | P | 50.7 | Low | 34.9 | Very low | 113 Ų | 113 | 142.1 Ų | 142.1 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | | | trans | -102.7 | 166.4 | 170.5 | 40.5 | -35.2 | 0 | 0 | 0 | 115.8 | | |
| 1380 | P | 38.2 | Very low | 34.9 | Very low | 123 Ų | 123 | 144.6 Ų | 144.6 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | | | trans | -104.6 | 171.6 | 172 | 39.2 | -32.7 | 0 | 0 | 0 | 115 | | |
| 1381 | P | 38.7 | Very low | 35.1 | Very low | 129 Ų | 129 | 141.8 Ų | 141.8 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | | | trans | -108.1 | -178.9 | -163.4 | 41.9 | -36.7 | 0 | 0 | 0 | 117.2 | | |
| 1382 | S | 35.9 | Very low | 35.4 | Very low | 124 Ų | 124 | 142.7 Ų | 142.7 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | | | trans | -77.6 | 165.4 | -175.5 | -43.4 | 0 | 0 | 0 | 0 | 116.7 | | |
| 1383 | S | 38 | Very low | 35.5 | Very low | 121 Ų | 121 | 141.7 Ų | 141.7 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | | | trans | -145.2 | 169.3 | 158.4 | 62.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1384 | T | 30.9 | Very low | 35.7 | Very low | 135 Ų | 135 | 143.1 Ų | 143.1 | 83% | 0.828 | 82% | 0.815 | S | S | * | * | | | trans | -116.7 | 169.5 | -162.9 | 49.6 | 0 | 0 | 0 | 0 | 114 | | |
| 1385 | V | 34.9 | Very low | 35.7 | Very low | 146 Ų | 146 | 143.8 Ų | 143.8 | 89% | 0.885 | 82% | 0.817 | S | S | * | * | | | trans | -167.6 | 164.2 | 141.5 | 135.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1386 | E | 31.8 | Very low | 35.7 | Very low | 195 Ų | 195 | 145 Ų | 145 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | | | trans | -102.7 | -172.6 | -154.2 | -54.1 | -173.5 | 119.2 | 0 | 0 | 117.6 | | |
| 1387 | A | 34.4 | Very low | 36.2 | Very low | 94 Ų | 94 | 142.2 Ų | 142.2 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | | | trans | -109.8 | -176.2 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1388 | R | 35.6 | Very low | 36.5 | Very low | 250 Ų | 250 | 142.3 Ų | 142.3 | 94% | 0.943 | 80% | 0.798 | S | S | * | * | | | trans | -157.2 | 152.1 | 165 | -117.6 | 169.8 | 179.4 | 151.6 | 2 | 113.4 | | |
| 1389 | N | 33.7 | Very low | 36.6 | Very low | 142 Ų | 142 | 143.6 Ų | 143.6 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | | | trans | -120.6 | 154.3 | -170.8 | -60.8 | -34.1 | 0 | 0 | 0 | 113.8 | V1391 | N1389-V1391 HydrophobicContact CB-CG2 4.27Š|
| 1390 | V | 34.8 | Very low | 36 | Very low | 137 Ų | 137 | 145.2 Ų | 145.2 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | | | trans | -157 | 130.6 | 154.8 | -177.6 | 0 | 0 | 0 | 0 | 106.5 | | |
| 1391 | V | 33 | Very low | 35.9 | Very low | 111 Ų | 111 | 143.6 Ų | 143.6 | 67% | 0.673 | 78% | 0.783 | S | S | * | * | | | cis | 88.2 | 81.6 | 0.8 | -163 | 0 | 0 | 0 | 0 | 118 | N1389 | N1389-V1391 HydrophobicContact CB-CG2 4.27Š|
| 1392 | E | 37.9 | Very low | 35.6 | Very low | 183 Ų | 183 | 143.2 Ų | 143.2 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | | | trans | -173.5 | 115.3 | 146.2 | -103.1 | 168.5 | -146.3 | 0 | 0 | 106.3 | | |
| 1393 | D | 33.3 | Very low | 35.5 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | | | | 77.4 | 119.1 | 57.4 | -80.8 | -31.5 | 0 | 0 | 0 | 116.1 | | |
| 1394 | F | 36.9 | Very low | 35.2 | Very low | 214 Ų | 214 | 134.8 Ų | 134.8 | 94% | 0.939 | 72% | 0.717 | S | S | * | * | | | trans | -167.1 | 125.8 | 136.6 | -111 | -68.7 | 0 | 0 | 0 | 112.3 | | |
| 1395 | T | 36.6 | Very low | 35.1 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 74% | 0.742 | 71% | 0.705 | S | S | * | * | | | trans | -97.4 | -170.7 | -176.8 | -1.3 | 0 | 0 | 0 | 0 | 111 | | |
| 1396 | E | 35.1 | Very low | 35 | Very low | 172 Ų | 172 | 134.8 Ų | 134.8 | 80% | 0.804 | 70% | 0.696 | S | S | * | * | | | cis | -152.8 | -165.1 | 14 | -130.9 | -154.9 | 177.7 | 0 | 0 | 110.4 | | |
| 1397 | P | 42.4 | Very low | 35 | Very low | 85 Ų | 85 | 132 Ų | 132 | 55% | 0.552 | 69% | 0.687 | S | S | * | * | | | trans | -133.4 | -160 | -142.1 | 41.3 | -16.3 | 0 | 0 | 0 | 115.3 | | |
| 1398 | L | 39 | Very low | 34.8 | Very low | 133 Ų | 133 | 131.1 Ų | 131.1 | 70% | 0.696 | 67% | 0.672 | S | S | * | * | | | | 179.7 | 121.4 | 127.7 | -111.6 | 67.6 | 0 | 0 | 0 | 107.1 | | |
| 1399 | E | 36.7 | Very low | 34.5 | Very low | 152 Ų | 152 | 130.2 Ų | 130.2 | 71% | 0.71 | 67% | 0.669 | S | S | * | * | | | | 74.8 | 138.1 | 85.4 | -67.8 | 176.2 | -176.7 | 0 | 0 | 114.3 | | |
| 1400 | D | 38.4 | Very low | 34.4 | Very low | 147 Ų | 147 | 127 Ų | 127 | 79% | 0.786 | 67% | 0.669 | S | S | * | * | | | cis | -147.2 | 160.2 | 14 | -142.4 | -8.7 | 0 | 0 | 0 | 117.7 | | |
| 1401 | D | 35.6 | Very low | 34.1 | Very low | 89 Ų | 89 | 126.6 Ų | 126.6 | 48% | 0.476 | 67% | 0.672 | S | S | . | * | | | trans | -80.5 | 150.7 | -179.3 | -126.2 | 9.8 | 0 | 0 | 0 | 110.6 | H258 Q261 | H258-D1401 PolarHBondContact CD2-O 3.48Å; H258-D1401 WeakPolarHBondContact NE2-CB 3.48Å; H258-D1401 VanDerWaalsContact NE2-CG 3.33Å; H258-D1401 IonicContact NE2-OD1 3.79Å; H258-D1401 IonicContact NE2-OD2 2.73Å; H258-D1401 PolarHBondContact NE2-OD2 2.99Å; Q261-D1401 PolarHBondContact NE2-OD1 2.89Å; Q261-D1401 PolarHBondContact NE2-OD2 3.05Å |
| 1402 | F | 33.1 | Very low | 34 | Very low | 121 Ų | 121 | 132.7 Ų | 132.7 | 53% | 0.531 | 68% | 0.683 | S | S | . | * | | | cis | 99 | 0 | 33.7 | -137.5 | -107.4 | 0 | 0 | 0 | 125.4 | H258 H259 | H258-F1402 VanDerWaalsContact CB-O 3.3Å; H258-F1402 WeakPolarHBondContact CB-O 3.42Å; H258-F1402 WeakPolarHBondContact CD2-CA 3.39Å; H258-F1402 PolarHBondContact CD2-N 3.1Å; H258-F1402 PolarHBondContact CD2-O 3.24Å; H258-F1402 VanDerWaalsContact CE1-CA 3.41Å; H258-F1402 WeakPolarHBondContact CE1-CA 3.35Å; H258-F1402 AromaticContact CE1-CD1 3.96Å; H258-F1402 PolarHBondContact CE1-O 2.89Å; H258-F1402 VanDerWaalsContact CG-CA 3.49Å; H258-F1402 PolarHBondContact ND1-O 3.11Å; H258-F1402 WeakPolarHBondContact NE2-CA 3.43Å; H258-F1402 WeakPolarHBondContact NE2-CB 3.46Å; H258-F1402 PolarHBondContact NE2-N 2.84Å; H258-F1402 PolarHBondContact NE2-O 3.47Å; H259-F1402 PolarHBondContact CE1-O 3.25Å; H259-F1402 PolarHBondContact ND1-O 3.24Å |
| 1403 | S | 32.6 | Very low | 33.5 | Very low | 21 Ų | 21 | 129.6 Ų | 129.6 | 15% | 0.147 | 68% | 0.682 | C | S | . | * | | | | 0 | -155.1 | 0 | 99.1 | 0 | 0 | 0 | 0 | 115.1 | H257 H258 | H257-S1403 PolarHBondContact ND1-O 2.85Å; H258-S1403 WeakPolarHBondContact CA-O 3.33Å; H258-S1403 PolarHBondContact CE1-N 3.33Å; H258-S1403 PolarHBondContact N-O 2.71Å; H258-S1403 VanDerWaalsContact ND1-C 3.29Å; H258-S1403 WeakPolarHBondContact ND1-CA 3.18Å; H258-S1403 WeakPolarHBondContact ND1-CB 3.3Å; H258-S1403 PolarHBondContact ND1-N 3.31Å; H258-S1403 PolarHBondContact ND1-OG 3.38Å; H258-S1403 PolarHBondContact NE2-N 3.36Å |
| 1404 | G | 31.7 | Very low | 33.5 | Very low | 47 Ų | 47 | 133.2 Ų | 133.2 | 49% | 0.485 | 69% | 0.691 | S | S | . | * | | | cis | -176.2 | -163.8 | 12 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1405 | F | 29.8 | Very low | 33.1 | Very low | 135 Ų | 135 | 130 Ų | 130 | 59% | 0.592 | 68% | 0.681 | S | S | * | * | | | cis | -170.3 | 127 | -26.1 | -160.3 | -125.8 | 0 | 0 | 0 | 108.1 | | |
| 1406 | Q | 32.6 | Very low | 32.6 | Very low | 147 Ų | 147 | 133.6 Ų | 133.6 | 69% | 0.687 | 68% | 0.681 | S | S | * | * | | | trans | 56 | -173 | 159.9 | -56.5 | -178.7 | -13.8 | 0 | 0 | 115.2 | | |
| 1407 | D | 30.9 | Very low | 32.3 | Very low | 136 Ų | 136 | 134.6 Ų | 134.6 | 73% | 0.727 | 68% | 0.677 | S | S | * | * | | | cis | -151 | -170.5 | 1.5 | -154.9 | 14.7 | 0 | 0 | 0 | 106.8 | | |
| 1408 | V | 31.3 | Very low | 32 | Very low | 75 Ų | 75 | 137.5 Ų | 137.5 | 46% | 0.455 | 68% | 0.683 | S | S | . | * | | | cis | -161.3 | 157.3 | 7.3 | 70.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1409 | R | 29 | Very low | 31.6 | Very low | 232 Ų | 232 | 138.6 Ų | 138.6 | 88% | 0.875 | 69% | 0.69 | S | S | * | * | | | trans | 66 | 146.8 | 160.2 | -82.4 | 150.8 | -120.2 | -177.9 | 1.4 | 118.4 | | |
| 1410 | G | 31 | Very low | 31.3 | Very low | 75 Ų | 75 | 140.5 Ų | 140.5 | 77% | 0.773 | 70% | 0.696 | S | S | * | * | | | trans | -177 | -15.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 120 | R1412 | G1410-R1412 PolarHBondContact O-N 2.81Š|
| 1411 | S | 30 | Very low | 30.9 | Very low | 128 Ų | 128 | 137 Ų | 137 | 90% | 0.895 | 69% | 0.687 | S | S | * | * | | | trans | -62.1 | 104.5 | -171.7 | -54.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1412 | R | 30 | Very low | 30.9 | Very low | 238 Ų | 238 | 139.1 Ų | 139.1 | 90% | 0.898 | 70% | 0.699 | S | S | * | * | | | trans | -159 | 116.1 | 160.1 | -129.5 | 171.5 | -177.7 | 176.6 | 1.4 | 114.9 | G1410 | G1410-R1412 PolarHBondContact O-N 2.81Š|
| 1413 | S | 28.4 | Very low | 30.7 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 83% | 0.832 | 71% | 0.707 | S | S | * | * | | | trans | -65 | 135.4 | 165.2 | -39.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1414 | K | 33.4 | Very low | 30.9 | Very low | 210 Ų | 210 | 146.9 Ų | 146.9 | 91% | 0.913 | 74% | 0.743 | S | S | * | * | | | trans | -154.9 | 121.1 | 149.3 | -119.4 | 172.1 | -173.5 | -177.1 | 0 | 113.3 | | |
| 1415 | M | 26.7 | Very low | 30.9 | Very low | 147 Ų | 147 | 150.5 Ų | 150.5 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | | | trans | -69.9 | 161.6 | 165.6 | -174.5 | -162 | -71.5 | 0 | 0 | 110.3 | | |
| 1416 | R | 27.9 | Very low | 30.9 | Very low | 196 Ų | 196 | 146.9 Ų | 146.9 | 74% | 0.74 | 76% | 0.757 | S | S | * | * | | | trans | 89 | 129.6 | 149.2 | -161.1 | -175.5 | -172.2 | 179 | 3.9 | 117.9 | | |
| 1417 | R | 28.3 | Very low | 31.1 | Very low | 193 Ų | 193 | 148.6 Ų | 148.6 | 73% | 0.728 | 76% | 0.764 | S | S | * | * | | | trans | 69.4 | 159.5 | 164.8 | -80 | 159 | 173.9 | -160.1 | 2.9 | 115.4 | | |
| 1418 | E | 35.3 | Very low | 31.2 | Very low | 146 Ų | 146 | 151.2 Ų | 151.2 | 68% | 0.682 | 77% | 0.77 | S | S | * | * | | | cis | -135.5 | 150.2 | 13.3 | -151.8 | 112.5 | -116.6 | 0 | 0 | 113 | | |
| 1419 | N | 30.9 | Very low | 31.4 | Very low | 157 Ų | 157 | 151.3 Ų | 151.3 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | | | trans | -107.7 | 101.9 | 172.4 | 179.3 | 11.9 | 0 | 0 | 0 | 108.6 | | |
| 1420 | K | 30.7 | Very low | 31.7 | Very low | 192 Ų | 192 | 148.2 Ų | 148.2 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | | | trans | 171.8 | 151.4 | 176.5 | -100.3 | 162.9 | -179.4 | -176.4 | 0 | 107.8 | | |
| 1421 | A | 29.4 | Very low | 31.9 | Very low | 72 Ų | 72 | 148 Ų | 148 | 60% | 0.595 | 78% | 0.777 | S | S | * | * | | | cis | -164.5 | -176.6 | -8.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1422 | N | 35.4 | Very low | 32.2 | Very low | 135 Ų | 135 | 145.8 Ų | 145.8 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | | | trans | 74.2 | 112.7 | 155.6 | -61.8 | -26.5 | 0 | 0 | 0 | 116.4 | | |
| 1423 | N | 29.5 | Very low | 32.6 | Very low | 133 Ų | 133 | 138 Ų | 138 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | | 83.1 | 97.3 | 67.2 | -80.6 | -47.7 | 0 | 0 | 0 | 112.4 | | |
| 1424 | L | 36.5 | Very low | 33.4 | Very low | 171 Ų | 171 | 137.4 Ų | 137.4 | 90% | 0.895 | 76% | 0.761 | S | S | * | * | | | trans | -172.9 | 84.4 | 159 | -100.2 | 157.3 | 0 | 0 | 0 | 104.4 | | |
| 1425 | T | 31.8 | Very low | 33.6 | Very low | 124 Ų | 124 | 139.3 Ų | 139.3 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | | | | 72.1 | 114.4 | 57.9 | -49.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1426 | G | 30.4 | Very low | 34.1 | Very low | 58 Ų | 58 | 135.8 Ų | 135.8 | 60% | 0.598 | 76% | 0.764 | S | S | * | * | | | trans | 116.6 | 94.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1427 | H | 35.5 | Very low | 34.6 | Very low | 183 Ų | 183 | 130.6 Ų | 130.6 | 85% | 0.847 | 77% | 0.772 | S | S | * | * | | | trans | 164.3 | 117.9 | 141.8 | -92.5 | -64.6 | 0 | 0 | 0 | 107.1 | | |
| 1428 | F | 33 | Very low | 35 | Very low | 192 Ų | 192 | 125.2 Ų | 125.2 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | | | cis | 54 | 115.2 | 43 | -64.2 | -78.7 | 0 | 0 | 0 | 112.9 | | |
| 1429 | A | 36.3 | Very low | 35.1 | Very low | 77 Ų | 77 | 122.5 Ų | 122.5 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | | | cis | -160 | -178.6 | -3.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1430 | D | 35.4 | Very low | 35.3 | Very low | 166 Ų | 166 | 118.4 Ų | 118.4 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | | | trans | 22 | 148 | 155.9 | -56.7 | -52.2 | 0 | 0 | 0 | 122.5 | | |
| 1431 | G | 36.1 | Very low | 35.6 | Very low | 71 Ų | 71 | 119.8 Ų | 119.8 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | | | cis | 162.1 | 152.3 | 0.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 1432 | G | 36.6 | Very low | 35.8 | Very low | 81 Ų | 81 | 125.6 Ų | 125.6 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | | | trans | 76.4 | 152.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1433 | G | 37.7 | Very low | 35.9 | Very low | 74 Ų | 74 | 122.7 Ų | 122.7 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | | | cis | 85.4 | 152.2 | 3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1434 | P | 44.5 | Very low | 36.2 | Very low | 108 Ų | 108 | 119.8 Ų | 119.8 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | | | cis | -143.7 | -178 | 0.6 | 45.7 | -28.6 | 0 | 0 | 0 | 116.4 | | |
| 1435 | R | 37.1 | Very low | 36.1 | Very low | 250 Ų | 250 | 117.1 Ų | 117.1 | 94% | 0.943 | 79% | 0.794 | S | S | * | * | | | trans | 64.3 | 158.1 | 155.5 | -68.4 | 161.4 | -175.5 | -163.1 | -0.6 | 117.9 | | |
| 1436 | G | 37.8 | Very low | 36.1 | Very low | 73 Ų | 73 | 123.4 Ų | 123.4 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | | | cis | -165.8 | 175.5 | -1.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1437 | G | 37.7 | Very low | 36.3 | Very low | 87 Ų | 87 | 124 Ų | 124 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | | | trans | -82.9 | -162.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1438 | G | 37.4 | Very low | 36.2 | Very low | 80 Ų | 80 | 125.8 Ų | 125.8 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | cis | 168.8 | 173.8 | -0.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1439 | G | 37.3 | Very low | 36.1 | Very low | 88 Ų | 88 | 125.2 Ų | 125.2 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | | | trans | 83.8 | 160.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 1440 | G | 36.2 | Very low | 36 | Very low | 72 Ų | 72 | 126.3 Ų | 126.3 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | | | cis | 168.2 | 133.2 | -13.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 1441 | R | 35.5 | Very low | 36 | Very low | 221 Ų | 221 | 122.2 Ų | 122.2 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | | | trans | 72.9 | 156.5 | 156.4 | -53 | -175.3 | 175.4 | -155.7 | -0.2 | 120.6 | | |
| 1442 | F | 34.9 | Very low | 36 | Very low | 193 Ų | 193 | 130.8 Ų | 130.8 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | | | trans | 64.6 | 144.2 | 165.3 | -53.4 | -70 | 0 | 0 | 0 | 118 | | |
| 1443 | G | 35.8 | Very low | 35.8 | Very low | 74 Ų | 74 | 138.9 Ų | 138.9 | 76% | 0.763 | 83% | 0.828 | S | S | * | * | | | cis | 153.9 | 140.4 | -12.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1444 | G | 36.1 | Very low | 35.6 | Very low | 72 Ų | 72 | 139.4 Ų | 139.4 | 74% | 0.742 | 83% | 0.833 | S | S | * | * | | | trans | 90.6 | 97 | 156.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 1445 | S | 34.3 | Very low | 35.1 | Very low | 116 Ų | 116 | 138 Ų | 138 | 81% | 0.811 | 84% | 0.838 | S | S | * | * | | | | 54 | 134.7 | 116.4 | -49.5 | 0 | 0 | 0 | 0 | 124 | | |
| 1446 | R | 33.1 | Very low | 34.8 | Very low | 255 Ų | 255 | 135.9 Ų | 135.9 | 96% | 0.962 | 84% | 0.836 | S | S | * | * | | | trans | 97 | 144.7 | 150.3 | -62 | 170.7 | 176.1 | -172.1 | -1.1 | 120.2 | | |
| 1447 | G | 34.9 | Very low | 34.9 | Very low | 71 Ų | 71 | 137 Ų | 137 | 73% | 0.732 | 83% | 0.831 | S | S | * | * | | | trans | 101.5 | 102.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1448 | R | 31.9 | Very low | 34.8 | Very low | 220 Ų | 220 | 139.2 Ų | 139.2 | 83% | 0.83 | 82% | 0.821 | S | S | * | * | | | | 83.5 | 138.6 | 51.8 | -73.7 | -156.1 | -171.8 | -161.9 | 7.9 | 114.9 | | |
| 1449 | F | 32 | Very low | 34.5 | Very low | 180 Ų | 180 | 146.7 Ų | 146.7 | 79% | 0.789 | 82% | 0.824 | S | S | * | * | | | trans | 63.1 | 116.8 | 174.4 | -57.7 | -73.6 | 0 | 0 | 0 | 114.8 | | |
| 1450 | A | 33.9 | Very low | 34.4 | Very low | 101 Ų | 101 | 146.1 Ų | 146.1 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | | | cis | 77 | 128 | 37.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1451 | G | 34.6 | Very low | 34.4 | Very low | 80 Ų | 80 | 153 Ų | 153 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | | | trans | 166.5 | 101.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1452 | R | 36.6 | Very low | 34.5 | Very low | 250 Ų | 250 | 153.3 Ų | 153.3 | 94% | 0.943 | 82% | 0.823 | S | S | * | * | | | trans | -24.8 | 161 | 170.1 | -64 | 169.4 | 175.7 | -102.2 | -0.8 | 120.1 | | |
| 1453 | R | 31.7 | Very low | 34.6 | Very low | 252 Ų | 252 | 148 Ų | 148 | 95% | 0.951 | 82% | 0.823 | S | S | * | * | | | trans | -56.1 | 146.6 | 157.6 | -66.9 | -179 | 175.2 | -168.6 | -1.2 | 112.2 | | |
| 1454 | G | 33.6 | Very low | 34.7 | Very low | 84 Ų | 84 | 149.2 Ų | 149.2 | 87% | 0.866 | 83% | 0.826 | S | S | * | * | | | trans | 170.2 | 94.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1455 | G | 35.2 | Very low | 34.6 | Very low | 78 Ų | 78 | 150.3 Ų | 150.3 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | | | trans | 179.2 | 101.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1456 | F | 30.1 | Very low | 34.8 | Very low | 206 Ų | 206 | 151.5 Ų | 151.5 | 90% | 0.904 | 82% | 0.819 | S | S | * | * | | | trans | -82.1 | 175.7 | 163.4 | -86.3 | -99 | 0 | 0 | 0 | 109.5 | | |
| 1457 | P | 40.7 | Very low | 34.8 | Very low | 98 Ų | 98 | 145.4 Ų | 145.4 | 64% | 0.636 | 82% | 0.816 | S | S | * | * | | | | -139.4 | -158.7 | -53.9 | 35.9 | -14.9 | 0 | 0 | 0 | 112.8 | | |
| 1458 | L | 34.2 | Very low | 35 | Very low | 133 Ų | 133 | 144.8 Ų | 144.8 | 70% | 0.696 | 81% | 0.81 | S | S | * | * | | | trans | 85.5 | 127.4 | 150.4 | -66.7 | 159.1 | 0 | 0 | 0 | 123.9 | | |
| 1459 | R | 31 | Very low | 35.2 | Very low | 236 Ų | 236 | 143.5 Ų | 143.5 | 89% | 0.891 | 81% | 0.813 | S | S | * | * | | | trans | 71.6 | 139.3 | 130.8 | -74.1 | 176.1 | 172.8 | -168.3 | -1.7 | 123.3 | | |
| 1460 | G | 35.9 | Very low | 35.2 | Very low | 76 Ų | 76 | 142.7 Ų | 142.7 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | | | trans | 115.5 | 101.6 | 157.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1461 | R | 36.6 | Very low | 35.4 | Very low | 217 Ų | 217 | 149.3 Ų | 149.3 | 82% | 0.819 | 82% | 0.817 | S | S | * | * | | | cis | 109.9 | 136.7 | 14.7 | -164 | -171.8 | -165.5 | -111.8 | 3.6 | 112.1 | | |
| 1462 | R | 37.5 | Very low | 35.3 | Very low | 228 Ų | 228 | 149.7 Ų | 149.7 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | | | trans | 78.9 | 138.4 | -176.1 | -45.8 | 174.3 | -157.5 | -120.4 | 7.5 | 111.5 | | |
| 1463 | G | 37.5 | Very low | 35.4 | Very low | 81 Ų | 81 | 147.2 Ų | 147.2 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | | | cis | 162.1 | 169.2 | 0.2 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 1464 | A | 38.5 | Very low | 35.5 | Very low | 100 Ų | 100 | 139.8 Ų | 139.8 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | | | cis | -168.7 | 172.6 | -6.6 | 0 | 0 | 0 | 0 | 0 | 105.5 | | |
| 1465 | S | 34 | Very low | 35.8 | Very low | 95 Ų | 95 | 140.5 Ų | 140.5 | 66% | 0.664 | 80% | 0.796 | S | S | * | * | | | cis | -177.7 | -168.6 | -10.9 | 46.6 | 0 | 0 | 0 | 0 | 105.8 | | |
| 1466 | N | 37.4 | Very low | 35.9 | Very low | 140 Ų | 140 | 142 Ų | 142 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | | | trans | 76.4 | 114.8 | 172.7 | -48 | 21.2 | 0 | 0 | 0 | 113.9 | | |
| 1467 | S | 33.9 | Very low | 36.3 | Very low | 128 Ų | 128 | 136 Ų | 136 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | | | cis | 87.3 | 134.7 | 12.7 | 91 | 0 | 0 | 0 | 0 | 118.3 | | |
| 1468 | G | 37.8 | Very low | 36.2 | Very low | 58 Ų | 58 | 136.6 Ų | 136.6 | 60% | 0.598 | 81% | 0.81 | S | S | * | * | | | trans | 154.2 | 101.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 1469 | E | 36.6 | Very low | 36.3 | Very low | 193 Ų | 193 | 133.9 Ų | 133.9 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | | | | 72 | 102.3 | 91.1 | -70.7 | 164.3 | -172.3 | 0 | 0 | 111 | | |
| 1470 | E | 31.4 | Very low | 36.4 | Very low | 163 Ų | 163 | 131 Ų | 131 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | | | cis | 77.9 | 114.3 | 47.1 | -165.3 | 178.8 | 171.9 | 0 | 0 | 114 | | |
| 1471 | Y | 38 | Very low | 36.5 | Very low | 239 Ų | 239 | 133.9 Ų | 133.9 | 94% | 0.937 | 81% | 0.813 | S | S | * | * | | | trans | -156.6 | 144.5 | 155.9 | -120.7 | -81.1 | 0 | 0 | 0 | 110.3 | | |
| 1472 | S | 32.9 | Very low | 36.3 | Very low | 89 Ų | 89 | 128.7 Ų | 128.7 | 62% | 0.622 | 81% | 0.806 | S | S | * | * | | | trans | -128.2 | 143.1 | -162 | -66.6 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1473 | Q | 38.4 | Very low | 36 | Very low | 198 Ų | 198 | 127.9 Ų | 127.9 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | | | trans | -169.8 | 157.4 | 163.2 | -109.8 | 163.6 | 16.8 | 0 | 0 | 111.3 | | |
| 1474 | A | 35.3 | Very low | 35.8 | Very low | 96 Ų | 96 | 126.8 Ų | 126.8 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | | | | -179.5 | 104.4 | -64 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1475 | A | 39.3 | Very low | 35.2 | Very low | 98 Ų | 98 | 131.7 Ų | 131.7 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | | | trans | -174.5 | 117.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 1476 | A | 37 | Very low | 35 | Very low | 110 Ų | 110 | 138.4 Ų | 138.4 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | | | cis | 81 | 100.8 | 31 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1477 | G | 38.5 | Very low | 34.6 | Very low | 80 Ų | 80 | 137.2 Ų | 137.2 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | | | trans | -174.7 | 135.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1478 | A | 39.1 | Very low | 34.5 | Very low | 111 Ų | 111 | 137.3 Ų | 137.3 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | | | trans | -69.3 | 165.6 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1479 | G | 35.8 | Very low | 34.2 | Very low | 75 Ų | 75 | 141 Ų | 141 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | | | cis | -161.9 | 175 | 11.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 1480 | E | 34.3 | Very low | 33.9 | Very low | 176 Ų | 176 | 139 Ų | 139 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | | | trans | -99.3 | 132.1 | -169.4 | -179.1 | 177.8 | -173.3 | 0 | 0 | 111.2 | | |
| 1481 | V | 36.4 | Very low | 34 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | | | trans | -128 | 111.1 | 166.2 | -178.9 | 0 | 0 | 0 | 0 | 108.1 | | |
| 1482 | T | 33.2 | Very low | 33.7 | Very low | 109 Ų | 109 | 133.7 Ų | 133.7 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | | | trans | -68.8 | 143.5 | 176.3 | 44.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1483 | F | 31.7 | Very low | 33.9 | Very low | 210 Ų | 210 | 132.3 Ų | 132.3 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | | | trans | -107.7 | 118.6 | 156.7 | -117.6 | -87 | 0 | 0 | 0 | 109 | | |
| 1484 | G | 32.9 | Very low | 33.9 | Very low | 58 Ų | 58 | 129.3 Ų | 129.3 | 60% | 0.598 | 77% | 0.77 | S | S | * | * | | | trans | -79.2 | 141.1 | -167.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | W1486 | G1484-W1486 PolarHBondContact O-N 3.49Š|
| 1485 | R | 26.5 | Very low | 33.9 | Very low | 203 Ų | 203 | 129.5 Ų | 129.5 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | | | trans | -52.2 | 123.3 | 159.6 | 171.1 | -171 | -177 | 176.4 | 3.7 | 110.4 | E1487 | R1485-E1487 IonicContact CZ-OE2 3.08Å; R1485-E1487 IonicContact NE-OE2 2.66Å; R1485-E1487 PolarHBondContact NE-OE2 2.95Å; R1485-E1487 IonicContact NH2-OE1 3.32Å; R1485-E1487 PolarHBondContact NH2-OE1 3Å; R1485-E1487 IonicContact NH2-OE2 2.7Å; R1485-E1487 PolarHBondContact NH2-OE2 3.12Å |
| 1486 | W | 29.6 | Very low | 33.8 | Very low | 237 Ų | 237 | 130.7 Ų | 130.7 | 90% | 0.898 | 76% | 0.762 | S | S | * | * | | | trans | -129.4 | 106.2 | 157.6 | -82 | 78.1 | 0 | 0 | 0 | 108.4 | G1484 | G1484-W1486 PolarHBondContact O-N 3.49Š|
| 1487 | E | 28.7 | Very low | 33.8 | Very low | 115 Ų | 115 | 134.4 Ų | 134.4 | 54% | 0.537 | 75% | 0.753 | S | S | . | * | | | trans | -79.1 | 166.6 | 150.9 | -74.8 | 142.6 | 128.8 | 0 | 0 | 108.4 | R1485 | R1485-E1487 IonicContact CZ-OE2 3.08Å; R1485-E1487 IonicContact NE-OE2 2.66Å; R1485-E1487 PolarHBondContact NE-OE2 2.95Å; R1485-E1487 IonicContact NH2-OE1 3.32Å; R1485-E1487 PolarHBondContact NH2-OE1 3Å; R1485-E1487 IonicContact NH2-OE2 2.7Å; R1485-E1487 PolarHBondContact NH2-OE2 3.12Å |
| 1488 | D | 30.5 | Very low | 33.7 | Very low | 129 Ų | 129 | 132.6 Ų | 132.6 | 69% | 0.69 | 73% | 0.734 | S | S | * | * | | | trans | 68 | 148.1 | 164.6 | -71.9 | -44.8 | 0 | 0 | 0 | 117 | | |
| 1489 | H | 33 | Very low | 33.8 | Very low | 137 Ų | 137 | 132.4 Ų | 132.4 | 63% | 0.634 | 72% | 0.718 | S | S | * | * | | | cis | -146 | 170.7 | 7.4 | -112.7 | -9.1 | 0 | 0 | 0 | 110.8 | | |
| 1490 | Q | 28.8 | Very low | 33.9 | Very low | 150 Ų | 150 | 140 Ų | 140 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | | | trans | 27.7 | 141 | 136.8 | -49.7 | 173 | 47.2 | 0 | 0 | 119 | | |
| 1491 | E | 34.2 | Very low | 34.2 | Very low | 173 Ų | 173 | 134.4 Ų | 134.4 | 81% | 0.808 | 71% | 0.713 | S | S | * | * | | | cis | -150.8 | 148.1 | 44.1 | -72.9 | 178.7 | 156 | 0 | 0 | 108.9 | | |
| 1492 | S | 32.4 | Very low | 34.4 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 83% | 0.825 | 72% | 0.715 | S | S | * | * | | | cis | 119.6 | 146 | 39.9 | 95.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 1493 | G | 36.9 | Very low | 34.7 | Very low | 60 Ų | 60 | 137.2 Ų | 137.2 | 62% | 0.619 | 72% | 0.722 | S | S | * | * | | | trans | 117.1 | 75.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1494 | T | 38.9 | Very low | 35.1 | Very low | 134 Ų | 134 | 131.1 Ų | 131.1 | 82% | 0.822 | 72% | 0.718 | S | S | * | * | | | | 65.8 | 135.1 | 87.3 | 67.2 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1495 | S | 34.2 | Very low | 35.3 | Very low | 101 Ų | 101 | 140.7 Ų | 140.7 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | | | cis | -171.5 | 158.9 | 5.5 | -120.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1496 | V | 38.1 | Very low | 36 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 74% | 0.739 | 74% | 0.739 | S | S | * | * | | | trans | 69.6 | 149.4 | 143.4 | 165 | 0 | 0 | 0 | 0 | 119.1 | | |
| 1497 | R | 36.6 | Very low | 36.3 | Very low | 188 Ų | 188 | 130.5 Ų | 130.5 | 71% | 0.709 | 73% | 0.733 | S | S | * | * | | | cis | 179 | 170.3 | -32.5 | -106.8 | 177.6 | -179.2 | -162.3 | 1.7 | 108.8 | | |
| 1498 | G | 36.9 | Very low | 36.7 | Very low | 42 Ų | 42 | 135.5 Ų | 135.5 | 43% | 0.433 | 75% | 0.753 | S | S | . | * | | | trans | 153.3 | -14.1 | 153.9 | 0 | 0 | 0 | 0 | 0 | 123.7 | S692 R693 | S692-G1498 CarbonylContact O-C 3.46Å; S692-G1498 VanDerWaalsContact O-C 3.3Å; S692-G1498 WeakPolarHBondContact O-CA 3.21Å; R693-G1498 VanDerWaalsContact CZ-N 3.31Å; R693-G1498 VanDerWaalsContact NH1-N 3.1Å |
| 1499 | N | 40.7 | Very low | 37.2 | Very low | 108 Ų | 108 | 132.5 Ų | 132.5 | 58% | 0.578 | 75% | 0.753 | S | S | * | * | | | trans | -10.6 | 127.8 | 171.3 | -176.1 | 39.6 | 0 | 0 | 0 | 119.8 | R693 | R693-N1499 VanDerWaalsContact CD-N 3.32Š|
| 1500 | R | 36.8 | Very low | 37.5 | Very low | 235 Ų | 235 | 138.5 Ų | 138.5 | 89% | 0.887 | 77% | 0.77 | S | S | * | * | | | trans | -179.2 | 159.9 | 142.5 | -95 | 144.6 | -174.4 | -167.8 | 2.6 | 110 | | |
| 1501 | G | 41.6 | Very low | 38.1 | Very low | 58 Ų | 58 | 135.4 Ų | 135.4 | 60% | 0.598 | 78% | 0.779 | S | S | * | * | | | cis | 137.5 | 133.6 | -10.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1502 | Q | 40.9 | Very low | 38.2 | Very low | 186 Ų | 186 | 130.7 Ų | 130.7 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | | | trans | 99 | 130.7 | -178.5 | -61 | 167.1 | 82.2 | 0 | 0 | 114.6 | | |
| 1503 | S | 39.4 | Very low | 39 | Very low | 118 Ų | 118 | 131 Ų | 131 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | | | cis | 98.2 | 113.2 | 8.2 | 88.4 | 0 | 0 | 0 | 0 | 118 | | |
| 1504 | G | 39.9 | Very low | 39 | Very low | 81 Ų | 81 | 140 Ų | 140 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | | | trans | -157.9 | 138.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1505 | R | 37.2 | Very low | 39.1 | Very low | 260 Ų | 260 | 137.5 Ų | 137.5 | 98% | 0.981 | 79% | 0.791 | S | S | * | * | | | trans | -121.8 | 147.5 | 179.7 | -78.3 | -176.3 | 171.9 | -171.5 | -1.5 | 110.8 | | |
| 1506 | G | 40 | Very low | 39.1 | Very low | 79 Ų | 79 | 137.5 Ų | 137.5 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | | | trans | -153.1 | 136.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 1507 | N | 36.8 | Very low | 39.1 | Very low | 147 Ų | 147 | 138.3 Ų | 138.3 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | | | trans | -156.3 | 98.6 | -169.2 | 177.8 | 91.7 | 0 | 0 | 0 | 113.5 | | |
| 1508 | F | 37.3 | Very low | 39.2 | Very low | 219 Ų | 219 | 136.9 Ų | 136.9 | 96% | 0.961 | 79% | 0.793 | S | S | * | * | | | trans | -159.1 | 152 | 164.5 | -69.4 | -77.9 | 0 | 0 | 0 | 107.7 | | |
| 1509 | G | 40.1 | Very low | 39.2 | Very low | 66 Ų | 66 | 144.7 Ų | 144.7 | 68% | 0.68 | 82% | 0.815 | S | S | * | * | | | cis | 159.6 | 125 | -12 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1510 | R | 40 | Very low | 39.1 | Very low | 264 Ų | 264 | 143.1 Ų | 143.1 | 100% | 0.996 | 82% | 0.824 | S | S | * | * | | | trans | 74 | 146.2 | 173.4 | -51.1 | 175.8 | 179.2 | -103.5 | 2.6 | 117.9 | | |
| 1511 | G | 40.3 | Very low | 39.2 | Very low | 85 Ų | 85 | 135.8 Ų | 135.8 | 88% | 0.876 | 82% | 0.822 | S | S | * | * | | | trans | 142.9 | 117.1 | 156.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 1512 | G | 37.9 | Very low | 39 | Very low | 74 Ų | 74 | 145.2 Ų | 145.2 | 76% | 0.763 | 84% | 0.84 | S | S | * | * | | | trans | -149.3 | -173.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 1513 | P | 49 | Very low | 39 | Very low | 123 Ų | 123 | 140.3 Ų | 140.3 | 80% | 0.799 | 84% | 0.839 | S | S | * | * | | | cis | -138.1 | -170.1 | 12 | 43.8 | -25.4 | 0 | 0 | 0 | 115.4 | | |
| 1514 | R | 35.6 | Very low | 38.9 | Very low | 249 Ų | 249 | 138 Ų | 138 | 94% | 0.94 | 83% | 0.834 | S | S | * | * | | | trans | 10.8 | 134.8 | 155.7 | -60.2 | -179.6 | -176.5 | -149.3 | 0 | 121.1 | | |
| 1515 | G | 40.9 | Very low | 38.7 | Very low | 82 Ų | 82 | 143.3 Ų | 143.3 | 85% | 0.845 | 84% | 0.835 | S | S | * | * | | | trans | -152.7 | 161.5 | 154.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1516 | S | 35 | Very low | 38.8 | Very low | 101 Ų | 101 | 137.7 Ų | 137.7 | 71% | 0.706 | 82% | 0.819 | S | S | * | * | | | trans | -137.4 | -168.9 | -178.3 | 58.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1517 | D | 38.4 | Very low | 38.6 | Very low | 139 Ų | 139 | 144.9 Ų | 144.9 | 74% | 0.743 | 82% | 0.822 | S | S | * | * | | | trans | 78.3 | 158.5 | 166.3 | -46.4 | -9.4 | 0 | 0 | 0 | 115.1 | | |
| 1518 | H | 39 | Very low | 38.6 | Very low | 158 Ų | 158 | 141.1 Ų | 141.1 | 73% | 0.731 | 82% | 0.818 | S | S | * | * | | | cis | -170.5 | 165.2 | -47.6 | -120.8 | 51.5 | 0 | 0 | 0 | 107.5 | | |
| 1519 | F | 36.9 | Very low | 38.7 | Very low | 206 Ų | 206 | 136.9 Ų | 136.9 | 90% | 0.904 | 82% | 0.815 | S | S | * | * | | | trans | 65.6 | 154.3 | 176.5 | -58.6 | -85.1 | 0 | 0 | 0 | 117.9 | | |
| 1520 | G | 37.3 | Very low | 38.6 | Very low | 75 Ų | 75 | 136.6 Ų | 136.6 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | | | cis | 162.5 | 128.7 | -16.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 1521 | G | 39.5 | Very low | 38.5 | Very low | 81 Ų | 81 | 134.5 Ų | 134.5 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | | | trans | 89.2 | 169.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 1522 | R | 38.2 | Very low | 38.4 | Very low | 256 Ų | 256 | 133.6 Ų | 133.6 | 97% | 0.966 | 80% | 0.802 | S | S | * | * | | | cis | -168.1 | 129.8 | -23.8 | -160.9 | 179.3 | -163.7 | -122.5 | 5.3 | 112 | | |
| 1523 | G | 39.3 | Very low | 38.2 | Very low | 84 Ų | 84 | 139.5 Ų | 139.5 | 87% | 0.866 | 81% | 0.81 | S | S | * | * | | | trans | 83.6 | 157.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1524 | G | 37.4 | Very low | 37.5 | Very low | 70 Ų | 70 | 138.2 Ų | 138.2 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | | | cis | 177.9 | 166.5 | -7.2 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 1525 | F | 36.1 | Very low | 37.2 | Very low | 192 Ų | 192 | 139.5 Ų | 139.5 | 84% | 0.842 | 83% | 0.826 | S | S | * | * | | | trans | 73.3 | 103 | 169.2 | -77.5 | -91.9 | 0 | 0 | 0 | 122.5 | | |
| 1526 | Q | 39.9 | Very low | 37 | Very low | 141 Ų | 141 | 142.4 Ų | 142.4 | 66% | 0.659 | 83% | 0.825 | S | S | * | * | | | | 58.8 | 125.3 | 129.5 | -67.2 | -159.7 | 40.4 | 0 | 0 | 125 | | |
| 1527 | R | 36.5 | Very low | 37.1 | Very low | 231 Ų | 231 | 144.5 Ų | 144.5 | 87% | 0.872 | 83% | 0.831 | S | S | * | * | | | trans | 65.9 | 131.8 | 139.4 | -67.5 | -179.1 | -175.6 | -111.3 | 2.3 | 120.9 | | |
| 1528 | G | 37.1 | Very low | 37.1 | Very low | 68 Ų | 68 | 144.8 Ų | 144.8 | 70% | 0.701 | 84% | 0.836 | S | S | * | * | | | trans | 136.4 | 77.3 | 131.5 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 1529 | S | 38 | Very low | 36.9 | Very low | 129 Ų | 129 | 144.1 Ų | 144.1 | 90% | 0.902 | 84% | 0.842 | S | S | * | * | | | trans | 16.5 | 124.7 | 149.3 | 55.5 | 0 | 0 | 0 | 0 | 120.1 | | |
| 1530 | G | 38.3 | Very low | 36.9 | Very low | 61 Ų | 61 | 140.2 Ų | 140.2 | 63% | 0.629 | 84% | 0.838 | S | S | * | * | | | trans | -154.9 | 138.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 1531 | F | 38.6 | Very low | 36.9 | Very low | 219 Ų | 219 | 144.5 Ų | 144.5 | 96% | 0.961 | 84% | 0.843 | S | S | * | * | | | trans | 62.1 | 149.4 | 163.6 | -56.2 | -85 | 0 | 0 | 0 | 118.4 | | |
| 1532 | G | 38.2 | Very low | 36.7 | Very low | 66 Ų | 66 | 149.1 Ų | 149.1 | 68% | 0.68 | 84% | 0.843 | S | S | * | * | | | cis | 126.6 | 131.4 | 0.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1533 | Q | 34 | Very low | 36.6 | Very low | 199 Ų | 199 | 140.8 Ų | 140.8 | 93% | 0.93 | 83% | 0.834 | S | S | * | * | | | trans | -57.8 | 147.2 | -175.3 | -63.7 | 165.7 | -28.6 | 0 | 0 | 113.8 | | |
| 1534 | A | 33.5 | Very low | 36.4 | Very low | 95 Ų | 95 | 145.6 Ų | 145.6 | 79% | 0.785 | 83% | 0.831 | S | S | * | * | | | | 167.1 | 117 | 103 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1535 | E | 29.2 | Very low | 36.3 | Very low | 276 Ų | 276 | 152.5 Ų | 152.5 | 100% | 1.29 | 84% | 0.841 | S | S | * | * | | | | -137.2 | 0 | 85.3 | -102.5 | -178.6 | 162.5 | 0 | 0 | 108.7 | | |