| 1 | M | 41.8 | Very low | 57 | Low | 243 Ų | 243 | 151.5 Ų | 151.5 | 100% | 1.197 | 84% | 0.843 | S | S | * | * | | | | 0 | 84 | 0 | -66.2 | -75.6 | -153.3 | 0 | 0 | 108 | | |
| 2 | T | 51.3 | Low | 57.1 | Low | 142 Ų | 142 | 146.6 Ų | 146.6 | 87% | 0.871 | 84% | 0.837 | S | S | * | * | | | trans | -127.3 | 101.7 | 170.7 | 43.3 | 0 | 0 | 0 | 0 | 106.7 | A4 | T2-A4 PolarHBondContact O-N 3.48Š|
| 3 | S | 58.4 | Low | 57.1 | Low | 111 Ų | 111 | 143.2 Ų | 143.2 | 78% | 0.776 | 83% | 0.828 | S | S | * | * | | | trans | -57.5 | 116 | 179.9 | -171 | 0 | 0 | 0 | 0 | 108.5 | E5 | S3-E5 VanDerWaalsContact C-N 3.28Å; S3-E5 PolarHBondContact O-N 3.35Å |
| 4 | A | 62.7 | Low | 56.8 | Low | 95 Ų | 95 | 143 Ų | 143 | 79% | 0.785 | 83% | 0.83 | S | S | * | * | | | trans | -67.5 | 96.5 | 168 | 0 | 0 | 0 | 0 | 0 | 106.3 | T2 Q6 | T2-A4 PolarHBondContact O-N 3.48Å; A4-Q6 PolarHBondContact O-N 2.86Å |
| 5 | E | 60.1 | Low | 56.4 | Low | 176 Ų | 176 | 137 Ų | 137 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | | | trans | -47.5 | 112.6 | 172.9 | -67.1 | 176 | 161.4 | 0 | 0 | 107.8 | S3 R7 | S3-E5 VanDerWaalsContact C-N 3.28Å; S3-E5 PolarHBondContact O-N 3.35Å; E5-R7 PolarHBondContact O-N 3.44Å |
| 6 | Q | 58.3 | Low | 55.9 | Low | 193 Ų | 193 | 137.3 Ų | 137.3 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | | | trans | -61.9 | 89.6 | -178.7 | -170.9 | 175.3 | -1.3 | 0 | 0 | 107.3 | A4 A8 | A4-Q6 PolarHBondContact O-N 2.86Å; Q6-A8 PolarHBondContact O-N 3.01Å |
| 7 | R | 59.3 | Low | 55.5 | Low | 233 Ų | 233 | 134.9 Ų | 134.9 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | | | trans | -56.2 | 114.5 | 175 | -79.4 | -176.5 | 169.5 | -156.9 | -3.1 | 106.5 | E5 M9 | E5-R7 PolarHBondContact O-N 3.44Å; R7-M9 PolarHBondContact O-N 2.98Å |
| 8 | A | 61.3 | Low | 55.6 | Low | 95 Ų | 95 | 136.5 Ų | 136.5 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | -53.9 | 102.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | Q6 P10 | Q6-A8 PolarHBondContact O-N 3.01Å; A8-P10 VanDerWaalsContact O-CD 3.3Å; A8-P10 WeakPolarHBondContact O-CD 3.3Å |
| 9 | M | 55.1 | Low | 55.6 | Low | 160 Ų | 160 | 137.8 Ų | 137.8 | 79% | 0.788 | 79% | 0.793 | S | S | * | * | | | trans | -65 | 117.9 | 170.9 | -80.7 | -61.2 | -44.2 | 0 | 0 | 106 | R7 S11 | R7-M9 PolarHBondContact O-N 2.98Å; M9-S11 PolarHBondContact O-N 3.38Å |
| 10 | P | 59 | Low | 55.7 | Low | 107 Ų | 107 | 135.8 Ų | 135.8 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | | | trans | -58 | 115.4 | 174.6 | 22.6 | -30.8 | 0 | 0 | 0 | 107 | A8 A12 | A8-P10 VanDerWaalsContact O-CD 3.3Å; A8-P10 WeakPolarHBondContact O-CD 3.3Å; P10-A12 PolarHBondContact O-N 2.76Å |
| 11 | S | 59.8 | Low | 55.8 | Low | 111 Ų | 111 | 138.2 Ų | 138.2 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | trans | -55 | 110.1 | 169.8 | 175.8 | 0 | 0 | 0 | 0 | 105.9 | M9 S13 | M9-S11 PolarHBondContact O-N 3.38Å; S11-S13 PolarHBondContact O-N 3.07Å |
| 12 | A | 58.7 | Low | 56.6 | Low | 93 Ų | 93 | 132.7 Ų | 132.7 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | trans | -66 | 82 | 173.8 | 0 | 0 | 0 | 0 | 0 | 107 | P10 T14 | P10-A12 PolarHBondContact O-N 2.76Å; A12-T14 PolarHBondContact O-N 2.71Å |
| 13 | S | 56.1 | Low | 57.1 | Low | 102 Ų | 102 | 132 Ų | 132 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | | | trans | -59.7 | 112.2 | 168.8 | 175.3 | 0 | 0 | 0 | 0 | 105.9 | S11 G15 | S11-S13 PolarHBondContact O-N 3.07Å; S13-G15 PolarHBondContact O-N 2.81Å |
| 14 | T | 53.5 | Low | 57.4 | Low | 141 Ų | 141 | 134.5 Ų | 134.5 | 87% | 0.865 | 76% | 0.759 | S | S | * | * | | | trans | -67.8 | 54.1 | 168.4 | 25.9 | 0 | 0 | 0 | 0 | 109.8 | A12 V16 | A12-T14 PolarHBondContact O-N 2.71Å; T14-V16 VanDerWaalsContact C-N 3.28Å; T14-V16 PolarHBondContact O-N 2.77Å |
| 15 | G | 50.6 | Low | 57.7 | Low | 53 Ų | 53 | 138.8 Ų | 138.8 | 55% | 0.546 | 76% | 0.763 | S | S | . | * | | | trans | -93.4 | 57.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | S13 S17 | S13-G15 PolarHBondContact O-N 2.81Å; G15-S17 PolarHBondContact O-N 2.94Å |
| 16 | V | 48.6 | Very low | 58.2 | Low | 142 Ų | 142 | 135.3 Ų | 135.3 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | | | trans | -68.9 | 81.2 | 163.6 | -176.6 | 0 | 0 | 0 | 0 | 106.3 | T14 | T14-V16 VanDerWaalsContact C-N 3.28Å; T14-V16 PolarHBondContact O-N 2.77Å |
| 17 | S | 49 | Very low | 58.9 | Low | 97 Ų | 97 | 129.1 Ų | 129.1 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | | | trans | -159.4 | 132.8 | 175.6 | -171.3 | 0 | 0 | 0 | 0 | 112.1 | G15 F19 | G15-S17 PolarHBondContact O-N 2.94Å; S17-F19 PolarHBondContact O-N 2.93Å |
| 18 | Y | 56.8 | Low | 59.8 | Low | 163 Ų | 163 | 124.2 Ų | 124.2 | 64% | 0.639 | 75% | 0.748 | S | S | * | * | S | Bend | trans | 85.6 | -47.5 | 167.1 | -141.7 | -99.5 | 0 | 0 | 0 | 119.3 | A20 | Y18-A20 PolarHBondContact O-N 2.72Š|
| 19 | F | 55.5 | Low | 60.5 | Low | 162 Ų | 162 | 126.7 Ų | 126.7 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -83.6 | -11.1 | -171.8 | -67 | -71.9 | 0 | 0 | 0 | 116 | S17 R21 H22 | S17-F19 PolarHBondContact O-N 2.93Å; F19-R21 PolarHBondContact O-N 2.98Å; F19-H22 PolarHBondContact O-N 2.83Å |
| 20 | A | 57.9 | Low | 61.5 | Low | 96 Ų | 96 | 127.1 Ų | 127.1 | 79% | 0.793 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -62.7 | -12.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115 | Y18 H22 | Y18-A20 PolarHBondContact O-N 2.72Å; A20-H22 VanDerWaalsContact C-N 3.35Å |
| 21 | R | 58.4 | Low | 62.5 | Low | 188 Ų | 188 | 127.2 Ų | 127.2 | 71% | 0.709 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -81 | -15 | 175 | -69 | -171.2 | -65.1 | -175.1 | -1.2 | 113.9 | F19 T23 | F19-R21 PolarHBondContact O-N 2.98Å; R21-T23 PolarHBondContact O-N 2.98Å |
| 22 | H | 59 | Low | 63.2 | Low | 127 Ų | 127 | 127.7 Ų | 127.7 | 59% | 0.588 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -96.2 | 89.2 | 169 | -57.4 | -64.9 | 0 | 0 | 0 | 105.9 | F19 A20 L24 | F19-H22 PolarHBondContact O-N 2.83Å; A20-H22 VanDerWaalsContact C-N 3.35Å; H22-L24 PolarHBondContact O-N 2.74Å |
| 23 | T | 60.2 | Low | 64.1 | Low | 128 Ų | 128 | 129.1 Ų | 129.1 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | | | trans | -50.6 | 103.3 | 156.8 | 40.8 | 0 | 0 | 0 | 0 | 105.8 | R21 Q25 | R21-T23 PolarHBondContact O-N 2.98Å; T23-Q25 PolarHBondContact O-N 2.95Å |
| 24 | L | 65.1 | Low | 65.1 | Low | 163 Ų | 163 | 132.1 Ų | 132.1 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | | | trans | -62.3 | 94.7 | 172.8 | -66.2 | 174.5 | 0 | 0 | 0 | 104.6 | H22 A26 | H22-L24 PolarHBondContact O-N 2.74Å; L24-A26 PolarHBondContact O-N 3.09Å |
| 25 | Q | 68.5 | Low | 66.3 | Low | 185 Ų | 185 | 130.6 Ų | 130.6 | 86% | 0.864 | 73% | 0.731 | S | S | * | * | | | trans | -58.5 | 114.8 | 176.9 | -156.1 | 172 | 3.2 | 0 | 0 | 104.5 | T23 G27 | T23-Q25 PolarHBondContact O-N 2.95Å; Q25-G27 PolarHBondContact O-N 2.93Å |
| 26 | A | 71.3 | Confident | 67.6 | Low | 102 Ų | 102 | 135 Ų | 135 | 84% | 0.843 | 74% | 0.742 | S | S | * | * | | | trans | -66.4 | 83.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | L24 | L24-A26 PolarHBondContact O-N 3.09Š|
| 27 | G | 72.7 | Confident | 69.3 | Low | 64 Ų | 64 | 137 Ų | 137 | 66% | 0.66 | 73% | 0.734 | S | S | * | * | | | trans | -66.4 | 140.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | Q25 L29 | Q25-G27 PolarHBondContact O-N 2.93Å; G27-L29 PolarHBondContact O-N 3.23Å; G27-L29 VanDerWaalsContact O-N 3.09Å |
| 28 | T | 77.8 | Confident | 70.8 | Confident | 129 Ų | 129 | 139.6 Ų | 139.6 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | | | trans | -62.8 | 112.1 | 169.3 | -55.1 | 0 | 0 | 0 | 0 | 107.9 | E30 | T28-E30 HydrophobicContact CG2-CG 4.34Å; T28-E30 PolarHBondContact O-N 3.3Å; T28-E30 VanDerWaalsContact O-N 3.16Å |
| 29 | L | 76.7 | Confident | 71.9 | Confident | 148 Ų | 148 | 137.9 Ų | 137.9 | 78% | 0.775 | 74% | 0.74 | S | S | * | * | | | trans | -76.7 | 99.8 | 172.5 | -179.7 | 67.8 | 0 | 0 | 0 | 108 | G27 T31 | G27-L29 PolarHBondContact O-N 3.23Å; G27-L29 VanDerWaalsContact O-N 3.09Å; L29-T31 HydrophobicContact CD2-CG2 3.88Å; L29-T31 HydrophobicContact CG-CG2 3.84Å; L29-T31 PolarHBondContact O-N 3.16Å |
| 30 | E | 76.3 | Confident | 73.2 | Confident | 169 Ų | 169 | 136.2 Ų | 136.2 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | | | trans | -78.6 | 105.6 | 170.4 | -65 | -177.1 | 177.4 | 0 | 0 | 108.6 | T28 | T28-E30 HydrophobicContact CG2-CG 4.34Å; T28-E30 PolarHBondContact O-N 3.3Å; T28-E30 VanDerWaalsContact O-N 3.16Å |
| 31 | T | 79.2 | Confident | 74.2 | Confident | 108 Ų | 108 | 139.2 Ų | 139.2 | 66% | 0.663 | 74% | 0.735 | S | S | * | * | | | trans | -93.5 | 121.9 | 172.9 | 54.5 | 0 | 0 | 0 | 0 | 109.4 | L29 | L29-T31 HydrophobicContact CD2-CG2 3.88Å; L29-T31 HydrophobicContact CG-CG2 3.84Å; L29-T31 PolarHBondContact O-N 3.16Å |
| 32 | T | 74.9 | Confident | 75.1 | Confident | 122 Ų | 122 | 135.3 Ų | 135.3 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | | | trans | -101.4 | 111.7 | 169.1 | 65.4 | 0 | 0 | 0 | 0 | 108.6 | K34 | T32-K34 PolarHBondContact O-N 3.06Š|
| 33 | T | 77.1 | Confident | 75.9 | Confident | 122 Ų | 122 | 138.4 Ų | 138.4 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | | | trans | -82.6 | 112.7 | 169.7 | -51.3 | 0 | 0 | 0 | 0 | 107.9 | | |
| 34 | K | 77.8 | Confident | 76.5 | Confident | 165 Ų | 165 | 140 Ų | 140 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | | | trans | -78.9 | 119.7 | 166.2 | -67.5 | -176.9 | -178.1 | 177.3 | 0 | 107.5 | T32 D36 | T32-K34 PolarHBondContact O-N 3.06Å; K34-D36 PolarHBondContact O-N 3.47Å |
| 35 | D | 78.9 | Confident | 76.9 | Confident | 109 Ų | 109 | 140.3 Ų | 140.3 | 58% | 0.583 | 74% | 0.743 | S | S | * | * | | | trans | -76.1 | 87.2 | 173.8 | -91.9 | -22.3 | 0 | 0 | 0 | 109.4 | R37 | D35-R37 PolarHBondContact O-N 2.99Å; D35-R37 PolarHBondContact OD2-NH2 2.77Å; D35-R37 IonicContact OD2-NH2 3.41Å; D35-R37 IonicContact OD2-NE 3.58Å; D35-R37 IonicContact OD2-CZ 3.75Å; D35-R37 IonicContact OD1-NH2 2.78Å; D35-R37 IonicContact OD1-NE 3.69Å |
| 36 | D | 78.9 | Confident | 77 | Confident | 147 Ų | 147 | 137.7 Ų | 137.7 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | | | trans | -78.7 | 31.1 | 178.6 | -66.5 | -23.6 | 0 | 0 | 0 | 112.8 | K34 L38 | K34-D36 PolarHBondContact O-N 3.47Å; D36-L38 PolarHBondContact O-N 3.19Å |
| 37 | R | 82.6 | Confident | 77 | Confident | 182 Ų | 182 | 140 Ų | 140 | 69% | 0.687 | 73% | 0.734 | S | S | * | * | | | trans | -71 | 122.1 | -177.4 | -72.1 | -176.3 | -89.9 | 177.6 | -4.3 | 110.1 | D35 I39 | D35-R37 PolarHBondContact O-N 2.99Å; D35-R37 PolarHBondContact OD2-NH2 2.77Å; D35-R37 IonicContact OD2-NH2 3.41Å; D35-R37 IonicContact OD2-NE 3.58Å; D35-R37 IonicContact OD2-CZ 3.75Å; D35-R37 IonicContact OD1-NH2 2.78Å; D35-R37 IonicContact OD1-NE 3.69Å; R37-I39 PolarHBondContact O-N 3.31Å |
| 38 | L | 80.9 | Confident | 76.9 | Confident | 152 Ų | 152 | 145.5 Ų | 145.5 | 80% | 0.796 | 74% | 0.739 | S | S | * | * | | | trans | -62.3 | 114.5 | 172.8 | -179.7 | 67.3 | 0 | 0 | 0 | 110 | D36 I40 | D36-L38 PolarHBondContact O-N 3.19Å; L38-I40 HydrophobicContact CD2-CD1 4.21Å; L38-I40 HydrophobicContact CD2-CG1 4.09Å; L38-I40 HydrophobicContact CG-CG1 4.06Å |
| 39 | I | 80.4 | Confident | 76.8 | Confident | 128 Ų | 128 | 144.8 Ų | 144.8 | 66% | 0.656 | 73% | 0.731 | S | S | * | * | | | trans | -90.7 | 111.6 | 174.3 | -56.9 | 179.1 | 0 | 0 | 0 | 108.3 | R37 | R37-I39 PolarHBondContact O-N 3.31Š|
| 40 | I | 83.1 | Confident | 76.7 | Confident | 126 Ų | 126 | 144.1 Ų | 144.1 | 65% | 0.646 | 73% | 0.728 | S | S | * | * | | | trans | -94.9 | 111.8 | 176.5 | -57.1 | 175.5 | 0 | 0 | 0 | 108.4 | L38 S42 | L38-I40 HydrophobicContact CD2-CD1 4.21Å; L38-I40 HydrophobicContact CD2-CG1 4.09Å; L38-I40 HydrophobicContact CG-CG1 4.06Å; I40-S42 PolarHBondContact O-N 3.11Å |
| 41 | H | 78.1 | Confident | 76.4 | Confident | 159 Ų | 159 | 144.1 Ų | 144.1 | 74% | 0.736 | 73% | 0.728 | S | S | * | * | | | trans | -87.6 | 88.7 | 171.1 | -62.7 | -73.4 | 0 | 0 | 0 | 109.6 | K43 | H41-K43 PolarHBondContact O-N 3.33Å; H41-K43 VanDerWaalsContact O-N 3.11Å |
| 42 | S | 77 | Confident | 75.5 | Confident | 107 Ų | 107 | 153.7 Ų | 153.7 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | | | trans | -70.2 | 104.9 | 168.9 | -59.3 | 0 | 0 | 0 | 0 | 108.7 | I40 H44 | I40-S42 PolarHBondContact O-N 3.11Å; S42-H44 PolarHBondContact O-N 3.23Å |
| 43 | K | 75.7 | Confident | 75.5 | Confident | 191 Ų | 191 | 155.3 Ų | 155.3 | 83% | 0.83 | 75% | 0.752 | S | S | * | * | | | trans | -75.7 | 107.9 | 163.6 | -66.8 | -174.5 | -179.9 | -177.3 | 0 | 106.8 | H41 E45 | H41-K43 PolarHBondContact O-N 3.33Å; H41-K43 VanDerWaalsContact O-N 3.11Å; K43-E45 PolarHBondContact O-N 3.31Å |
| 44 | H | 72.8 | Confident | 75.4 | Confident | 161 Ų | 161 | 157.1 Ų | 157.1 | 75% | 0.745 | 75% | 0.752 | S | S | * | * | | | trans | -74.6 | 103.2 | 167.1 | -165.3 | 69.9 | 0 | 0 | 0 | 106.3 | S42 D46 | S42-H44 PolarHBondContact O-N 3.23Å; H44-D46 IonicContact CD2-OD1 3.2Å; H44-D46 PolarHBondContact CD2-OD1 3.41Å; H44-D46 PolarHBondContact O-N 2.81Å |
| 45 | E | 73.5 | Confident | 75.3 | Confident | 170 Ų | 170 | 156.6 Ų | 156.6 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | | | trans | -72.2 | 113.9 | 164.5 | -71.3 | -103.9 | 144.2 | 0 | 0 | 105.9 | K43 N47 | K43-E45 PolarHBondContact O-N 3.31Å; E45-N47 PolarHBondContact O-N 3.34Å |
| 46 | D | 70.8 | Confident | 75.1 | Confident | 131 Ų | 131 | 159.4 Ų | 159.4 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | | | trans | -63.1 | 91.1 | 170.8 | -68.9 | -39.2 | 0 | 0 | 0 | 107.5 | H44 K48 | H44-D46 IonicContact CD2-OD1 3.2Å; H44-D46 PolarHBondContact CD2-OD1 3.41Å; H44-D46 PolarHBondContact O-N 2.81Å; D46-K48 VanDerWaalsContact C-N 3.33Å; D46-K48 PolarHBondContact O-N 2.87Å |
| 47 | N | 71.7 | Confident | 74.9 | Confident | 150 Ų | 150 | 160.2 Ų | 160.2 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | | | trans | -65.2 | 99.2 | 173.9 | -169.4 | 44.4 | 0 | 0 | 0 | 107 | E45 D49 | E45-N47 PolarHBondContact O-N 3.34Å; N47-D49 VanDerWaalsContact C-N 3.31Å; N47-D49 PolarHBondContact O-N 3.04Å |
| 48 | K | 71.8 | Confident | 74.4 | Confident | 179 Ų | 179 | 158.7 Ų | 158.7 | 78% | 0.778 | 77% | 0.768 | S | S | * | * | | | trans | -70.2 | 97.9 | 170.5 | -66.7 | -167.8 | -177.9 | -177.1 | 0 | 106.5 | D46 D50 | D46-K48 VanDerWaalsContact C-N 3.33Å; D46-K48 PolarHBondContact O-N 2.87Å; K48-D50 PolarHBondContact O-N 2.95Å |
| 49 | D | 75.5 | Confident | 73.9 | Confident | 115 Ų | 115 | 159.2 Ų | 159.2 | 62% | 0.615 | 77% | 0.766 | S | S | * | * | | | trans | -56.8 | 106.7 | 167.3 | -175.3 | -0.4 | 0 | 0 | 0 | 108.3 | N47 H51 | N47-D49 VanDerWaalsContact C-N 3.31Å; N47-D49 PolarHBondContact O-N 3.04Å; D49-H51 IonicContact OD1-CD2 2.77Å; D49-H51 PolarHBondContact OD1-CD2 2.68Å; D49-H51 IonicContact OD1-CG 3.6Å; D49-H51 PolarHBondContact OD1-N 3.33Å; D49-H51 IonicContact OD1-NE2 3.72Å; D49-H51 IonicContact OD2-CD2 3.85Å |
| 50 | D | 73.4 | Confident | 73.4 | Confident | 134 Ų | 134 | 161.6 Ų | 161.6 | 72% | 0.717 | 77% | 0.774 | S | S | * | * | | | trans | -105.4 | 28.4 | -175.4 | 72 | -24.7 | 0 | 0 | 0 | 112.3 | K48 R52 | K48-D50 PolarHBondContact O-N 2.95Å; D50-R52 PolarHBondContact O-N 2.78Å |
| 51 | H | 70 | Confident | 72.6 | Confident | 169 Ų | 169 | 164.6 Ų | 164.6 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | | | trans | -58.6 | 85.8 | 170.9 | -71.5 | -41.2 | 0 | 0 | 0 | 111.7 | D49 | D49-H51 IonicContact OD1-CD2 2.77Å; D49-H51 PolarHBondContact OD1-CD2 2.68Å; D49-H51 IonicContact OD1-CG 3.6Å; D49-H51 PolarHBondContact OD1-N 3.33Å; D49-H51 IonicContact OD1-NE2 3.72Å; D49-H51 IonicContact OD2-CD2 3.85Å |
| 52 | R | 60.7 | Low | 72.1 | Confident | 309 Ų | 309 | 165.1 Ų | 165.1 | 100% | 1.166 | 79% | 0.789 | S | S | * | * | | | trans | -66.5 | 0 | 156.6 | -73 | 179.8 | 171.1 | -130.1 | -0.2 | 110.9 | D50 | D50-R52 PolarHBondContact O-N 2.78Š|