| 1 | G | 60.5 | Low | 64.1 | Low | 127 Ų | 127 | 128.3 Ų | 128.3 | 100% | 1.309 | 78% | 0.783 | S | S | * | * | | | | 0 | 112.1 | 0 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 2 | T | 60.6 | Low | 64.4 | Low | 99 Ų | 99 | 131.3 Ų | 131.3 | 61% | 0.607 | 78% | 0.778 | S | S | * | * | | | trans | -135 | 102.3 | 164.4 | 47.5 | 0 | 0 | 0 | 0 | 104.6 | Y4 | T2-Y4 VanDerWaalsContact O-CD2 3.26Å; T2-Y4 VanDerWaalsContact C-N 3.34Å; T2-Y4 PolarHBondContact O-N 2.96Å; T2-Y4 WeakPolarHBondContact O-CD2 3.26Å |
| 3 | P | 57.6 | Low | 64.7 | Low | 122 Ų | 122 | 130 Ų | 130 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | | | trans | -68.7 | 103.6 | 171.5 | 27.8 | -28.5 | 0 | 0 | 0 | 105.9 | L5 | P3-L5 PolarHBondContact O-N 3.12Å; P3-L5 VanDerWaalsContact O-N 3.16Å |
| 4 | Y | 67.3 | Low | 65.1 | Low | 200 Ų | 200 | 131.5 Ų | 131.5 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | | | trans | -55 | 121.7 | 174 | -70.9 | -96.5 | 0 | 0 | 0 | 106.7 | T2 E6 | T2-Y4 VanDerWaalsContact O-CD2 3.26Å; T2-Y4 VanDerWaalsContact C-N 3.34Å; T2-Y4 PolarHBondContact O-N 2.96Å; T2-Y4 WeakPolarHBondContact O-CD2 3.26Å; Y4-E6 PolarHBondContact O-N 3.16Å |
| 5 | L | 65.9 | Low | 65.5 | Low | 172 Ų | 172 | 131.4 Ų | 131.4 | 90% | 0.901 | 78% | 0.776 | S | S | * | * | | | trans | -70.6 | 64.1 | 171.5 | -66 | 170.1 | 0 | 0 | 0 | 108.3 | P3 S7 | P3-L5 PolarHBondContact O-N 3.12Å; P3-L5 VanDerWaalsContact O-N 3.16Å; L5-S7 PolarHBondContact O-N 2.76Å; L5-S7 VanDerWaalsContact O-N 3.12Å |
| 6 | E | 62.3 | Low | 65.7 | Low | 183 Ų | 183 | 129 Ų | 129 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | | | trans | -86.3 | 59.8 | 164.1 | -159.1 | 166 | 85.9 | 0 | 0 | 107.2 | Y4 G8 | Y4-E6 PolarHBondContact O-N 3.16Å; E6-G8 PolarHBondContact O-N 3Å |
| 7 | S | 62 | Low | 65.9 | Low | 91 Ų | 91 | 133.1 Ų | 133.1 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | | | trans | -77 | 75.7 | 160.8 | -167.9 | 0 | 0 | 0 | 0 | 106.3 | L5 I9 | L5-S7 PolarHBondContact O-N 2.76Å; L5-S7 VanDerWaalsContact O-N 3.12Å; S7-I9 PolarHBondContact O-N 2.9Å |
| 8 | G | 69.4 | Low | 65.8 | Low | 72 Ų | 72 | 131.6 Ų | 131.6 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | | | trans | -70.9 | 75.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | E6 S10 | E6-G8 PolarHBondContact O-N 3Å; G8-S10 PolarHBondContact O-N 3.25Å |
| 9 | I | 62.7 | Low | 66.2 | Low | 114 Ų | 114 | 131.5 Ų | 131.5 | 59% | 0.585 | 77% | 0.769 | S | S | * | * | | | trans | -84.3 | 104.2 | 164.8 | 54.5 | 119.3 | 0 | 0 | 0 | 107.6 | S7 L11 | S7-I9 PolarHBondContact O-N 2.9Å; I9-L11 PolarHBondContact O-N 2.99Å; I9-L11 HydrophobicContact CD1-CG 4.23Å; I9-L11 HydrophobicContact CD1-CD1 3.2Å; I9-L11 HydrophobicContact CD1-CB 4.05Å; I9-L11 VanDerWaalsContact C-N 3.31Å |
| 10 | S | 69.3 | Low | 66.2 | Low | 108 Ų | 108 | 131.4 Ų | 131.4 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | | | trans | -70.6 | 95.4 | 163.5 | -163.1 | 0 | 0 | 0 | 0 | 106.8 | G8 F12 | G8-S10 PolarHBondContact O-N 3.25Å; S10-F12 PolarHBondContact O-N 3.24Å; S10-F12 PolarHBondContact OG-O 3.48Å |
| 11 | L | 67.7 | Low | 66.1 | Low | 123 Ų | 123 | 129.4 Ų | 129.4 | 64% | 0.644 | 77% | 0.765 | S | S | * | * | | | trans | -75 | -3 | -175.2 | -149.1 | 96.1 | 0 | 0 | 0 | 113.5 | I9 | I9-L11 PolarHBondContact O-N 2.99Å; I9-L11 HydrophobicContact CD1-CG 4.23Å; I9-L11 HydrophobicContact CD1-CD1 3.2Å; I9-L11 HydrophobicContact CD1-CB 4.05Å; I9-L11 VanDerWaalsContact C-N 3.31Å |
| 12 | F | 67.4 | Low | 66.2 | Low | 164 Ų | 164 | 132.6 Ų | 132.6 | 72% | 0.719 | 75% | 0.746 | S | S | * | * | | | trans | -136.4 | 110.2 | 175.9 | -55.6 | -81.1 | 0 | 0 | 0 | 105.9 | S10 D14 | S10-F12 PolarHBondContact O-N 3.24Å; S10-F12 PolarHBondContact OG-O 3.48Å; F12-D14 PolarHBondContact O-N 2.98Å |
| 13 | S | 68.4 | Low | 66.5 | Low | 115 Ų | 115 | 134.5 Ų | 134.5 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | | | trans | -65.4 | 118.8 | 146.2 | -61.1 | 0 | 0 | 0 | 0 | 103.6 | D15 | S13-D15 PolarHBondContact O-N 2.76Š|
| 14 | D | 70.8 | Confident | 66.9 | Low | 151 Ų | 151 | 140 Ų | 140 | 81% | 0.807 | 76% | 0.757 | S | S | * | * | | | trans | -53 | 96.9 | 164.3 | -174.7 | -111.2 | 0 | 0 | 0 | 105.7 | F12 | F12-D14 PolarHBondContact O-N 2.98Š|
| 15 | D | 70.4 | Confident | 66.9 | Low | 130 Ų | 130 | 134.4 Ų | 134.4 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | | | trans | -65.8 | 121.5 | 169.4 | -173.6 | -109 | 0 | 0 | 0 | 103.8 | S13 E17 | S13-D15 PolarHBondContact O-N 2.76Å; D15-E17 PolarHBondContact O-N 3.38Å |
| 16 | P | 69.4 | Low | 66.6 | Low | 93 Ų | 93 | 132.3 Ų | 132.3 | 60% | 0.604 | 75% | 0.75 | S | S | * | * | | | trans | -60.1 | 118.3 | -179.8 | 24.8 | -31.8 | 0 | 0 | 0 | 106.9 | S18 | P16-S18 VanDerWaalsContact C-N 3.3Å; P16-S18 PolarHBondContact O-N 3.15Å |
| 17 | E | 68.3 | Low | 66.2 | Low | 198 Ų | 198 | 132.6 Ų | 132.6 | 93% | 0.925 | 75% | 0.751 | S | S | * | * | | | trans | -49.9 | 101 | 170.2 | -73.9 | -170.8 | 91.6 | 0 | 0 | 107.6 | D15 D19 | D15-E17 PolarHBondContact O-N 3.38Å; E17-D19 PolarHBondContact O-N 2.73Å; E17-D19 VanDerWaalsContact O-N 3.15Å |
| 18 | S | 64.3 | Low | 66 | Low | 107 Ų | 107 | 133.3 Ų | 133.3 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | | | trans | -81 | 100.9 | -179.5 | -167.1 | 0 | 0 | 0 | 0 | 106.3 | P16 P20 | P16-S18 VanDerWaalsContact C-N 3.3Å; P16-S18 PolarHBondContact O-N 3.15Å; S18-P20 WeakPolarHBondContact O-CD 3.17Å |
| 19 | D | 73.2 | Confident | 65.5 | Low | 130 Ų | 130 | 134.1 Ų | 134.1 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | | | trans | -58.4 | 113.5 | 169 | -173.8 | -86.2 | 0 | 0 | 0 | 108.4 | E17 S21 | E17-D19 PolarHBondContact O-N 2.73Å; E17-D19 VanDerWaalsContact O-N 3.15Å; D19-S21 VanDerWaalsContact OD1-N 3.16Å; D19-S21 PolarHBondContact OD1-N 3.13Å; D19-S21 VanDerWaalsContact O-N 3.13Å; D19-S21 PolarHBondContact O-N 3.16Å; D19-S21 VanDerWaalsContact C-N 3.25Å; D19-S21 WeakPolarHBondContact OD1-CB 3.09Å |
| 20 | P | 66.3 | Low | 65.1 | Low | 128 Ų | 128 | 138.9 Ų | 138.9 | 83% | 0.831 | 77% | 0.766 | S | S | * | * | | | trans | -89.7 | 71.9 | 175.7 | 35.8 | -26.9 | 0 | 0 | 0 | 107.5 | S18 | S18-P20 WeakPolarHBondContact O-CD 3.17Š|
| 21 | S | 64.1 | Low | 64.5 | Low | 90 Ų | 90 | 141.1 Ų | 141.1 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | | | trans | -129.4 | 62.4 | 168.9 | -147.2 | 0 | 0 | 0 | 0 | 111.3 | D19 D23 | D19-S21 VanDerWaalsContact OD1-N 3.16Å; D19-S21 PolarHBondContact OD1-N 3.13Å; D19-S21 VanDerWaalsContact O-N 3.13Å; D19-S21 PolarHBondContact O-N 3.16Å; D19-S21 VanDerWaalsContact C-N 3.25Å; D19-S21 WeakPolarHBondContact OD1-CB 3.09Å; S21-D23 VanDerWaalsContact C-N 3.25Å; S21-D23 PolarHBondContact O-N 3.07Å |
| 22 | E | 63.8 | Low | 64.1 | Low | 195 Ų | 195 | 137.6 Ų | 137.6 | 91% | 0.911 | 77% | 0.769 | S | S | * | * | | | trans | -72.1 | 85.5 | 153.7 | -166.1 | 178.7 | 104.7 | 0 | 0 | 108.6 | | |
| 23 | D | 66.1 | Low | 63.6 | Low | 139 Ų | 139 | 137.2 Ų | 137.2 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | | | trans | -133.6 | 62.8 | 155.6 | -169.4 | -112.7 | 0 | 0 | 0 | 109.8 | S21 | S21-D23 VanDerWaalsContact C-N 3.25Å; S21-D23 PolarHBondContact O-N 3.07Å |
| 24 | R | 65.8 | Low | 62.7 | Low | 236 Ų | 236 | 139.3 Ų | 139.3 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | | | trans | -133 | 93.3 | 143.6 | -83 | -165.6 | 179.2 | 169.6 | 0.9 | 107.3 | P26 | R24-P26 WeakPolarHBondContact O-CD 3.49Š|
| 25 | A | 66.8 | Low | 61.4 | Low | 84 Ų | 84 | 137.5 Ų | 137.5 | 69% | 0.694 | 77% | 0.773 | S | S | * | * | | | trans | -46.9 | 124.7 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | E27 | A25-E27 PolarHBondContact O-N 2.98Š|
| 26 | P | 60.7 | Low | 60.8 | Low | 127 Ų | 127 | 138.2 Ų | 138.2 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | | | trans | -61.9 | 113.1 | 165 | 23.7 | -28.4 | 0 | 0 | 0 | 106.1 | R24 S28 | R24-P26 WeakPolarHBondContact O-CD 3.49Å; P26-S28 PolarHBondContact O-N 3.33Å |
| 27 | E | 54.4 | Low | 59.8 | Low | 189 Ų | 189 | 142.4 Ų | 142.4 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | | | trans | -54 | 134.8 | 175.9 | -110.4 | -174.8 | 92.8 | 0 | 0 | 109.6 | A25 | A25-E27 PolarHBondContact O-N 2.98Š|
| 28 | S | 56.4 | Low | 59.2 | Low | 106 Ų | 106 | 138.7 Ų | 138.7 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | S | Bend | trans | 83.3 | 110.2 | 151.7 | -147.5 | 0 | 0 | 0 | 0 | 117.5 | P26 | P26-S28 PolarHBondContact O-N 3.33Š|
| 29 | A | 60.1 | Low | 58.5 | Low | 89 Ų | 89 | 139 Ų | 139 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | | | trans | 64.2 | 82.2 | 135.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 30 | R | 52.7 | Low | 57.6 | Low | 215 Ų | 215 | 138.3 Ų | 138.3 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | | | trans | -118.3 | 86 | 144.2 | -67 | -171.4 | -174.5 | 170.7 | 3.1 | 109.4 | G32 E49 | R30-G32 PolarHBondContact O-N 3.38Å; R30-E49 IonicContact NH1-OE1 3.78Å |
| 31 | V | 57.9 | Low | 57.2 | Low | 154 Ų | 154 | 140 Ų | 140 | 93% | 0.933 | 79% | 0.787 | S | S | * | * | | | trans | -41 | 129.3 | 157.7 | 78.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 32 | G | 58.5 | Low | 56.8 | Low | 50 Ų | 50 | 144.6 Ų | 144.6 | 52% | 0.515 | 80% | 0.799 | S | S | . | * | | | trans | -143.3 | -119 | -149.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | R30 | R30-G32 PolarHBondContact O-N 3.38Š|
| 33 | N | 57.1 | Low | 56.3 | Low | 156 Ų | 156 | 139.4 Ų | 139.4 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | | | trans | -151.2 | 69 | -160.4 | -60.4 | 81 | 0 | 0 | 0 | 109.8 | C35 | N33-C35 PolarHBondContact O-N 3.26Š|
| 34 | I | 49.2 | Very low | 55.3 | Low | 158 Ų | 158 | 138 Ų | 138 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | | | trans | -83.9 | 98.6 | 162.6 | -53.4 | 169.3 | 0 | 0 | 0 | 105.1 | I36 | I34-I36 VanDerWaalsContact C-N 3.35Å; I34-I36 PolarHBondContact O-N 2.79Å |
| 35 | C | 44.6 | Very low | 54.8 | Low | 114 Ų | 114 | 137.4 Ų | 137.4 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | | | trans | -60.4 | 104.6 | 162.1 | -67.5 | 0 | 0 | 0 | 0 | 106.8 | N33 | N33-C35 PolarHBondContact O-N 3.26Š|
| 36 | I | 57.6 | Low | 54.3 | Low | 145 Ų | 145 | 140.4 Ų | 140.4 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | | | trans | -67.3 | 152.3 | 164 | -56.1 | 171.1 | 0 | 0 | 0 | 106.1 | I34 | I34-I36 VanDerWaalsContact C-N 3.35Å; I34-I36 PolarHBondContact O-N 2.79Å |
| 37 | E | 47.2 | Very low | 53.9 | Low | 181 Ų | 181 | 139.7 Ų | 139.7 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | | | trans | 113.7 | 94.3 | 164.7 | -51.4 | -160.9 | 119.3 | 0 | 0 | 115.5 | | |
| 38 | S | 57.2 | Low | 53.6 | Low | 119 Ų | 119 | 135.5 Ų | 135.5 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | | | trans | -6 | 117 | 149.5 | -64.6 | 0 | 0 | 0 | 0 | 116.5 | | |
| 39 | S | 48.1 | Very low | 53.7 | Low | 114 Ų | 114 | 138.3 Ų | 138.3 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | | | trans | 176.8 | 153.3 | 136.5 | -80.2 | 0 | 0 | 0 | 0 | 111.3 | I41 | S39-I41 PolarHBondContact O-N 3Š|
| 40 | P | 55.9 | Low | 53.5 | Low | 116 Ų | 116 | 139.7 Ų | 139.7 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -82.4 | 120.9 | -165.1 | 32.4 | -30.6 | 0 | 0 | 0 | 110.8 | | |
| 41 | I | 56.6 | Low | 54.1 | Low | 162 Ų | 162 | 134.8 Ų | 134.8 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 62.8 | 93.7 | 160 | -54.7 | 161 | 0 | 0 | 0 | 113.6 | S39 | S39-I41 PolarHBondContact O-N 3Š|
| 42 | E | 57.2 | Low | 54.1 | Low | 187 Ų | 187 | 132.7 Ų | 132.7 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | S | Bend | | 171.7 | 132.5 | 117.9 | -171 | 165.9 | 91.8 | 0 | 0 | 109.2 | | |
| 43 | S | 52.3 | Low | 53.5 | Low | 86 Ų | 86 | 135 Ų | 135 | 60% | 0.601 | 77% | 0.773 | S | S | * | * | | | trans | 73.9 | 58 | 164.4 | -162.7 | 0 | 0 | 0 | 0 | 118.4 | R45 | S43-R45 PolarHBondContact O-N 3.42Å; S43-R45 VanDerWaalsContact O-N 3.15Å |
| 44 | C | 44.4 | Very low | 53.3 | Low | 110 Ų | 110 | 132.9 Ų | 132.9 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | | | trans | -78.2 | 79.7 | 143.6 | -154.6 | 0 | 0 | 0 | 0 | 107.5 | I46 | C44-I46 VanDerWaalsContact C-N 3.34Å; C44-I46 PolarHBondContact O-N 3.21Å |
| 45 | R | 55.2 | Low | 53.2 | Low | 224 Ų | 224 | 135.8 Ų | 135.8 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | | | trans | -72.8 | 93.4 | 173.4 | -100.6 | -179.3 | 161.5 | 154.8 | -3.6 | 108 | S43 C47 | S43-R45 PolarHBondContact O-N 3.42Å; S43-R45 VanDerWaalsContact O-N 3.15Å; R45-C47 PolarHBondContact O-N 3.42Å |
| 46 | I | 58.1 | Low | 53.5 | Low | 146 Ų | 146 | 144.5 Ų | 144.5 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | | | trans | -67.2 | 111.9 | 169.4 | -59.7 | 166.8 | 0 | 0 | 0 | 106.2 | C44 P48 | C44-I46 VanDerWaalsContact C-N 3.34Å; C44-I46 PolarHBondContact O-N 3.21Å; I46-P48 VanDerWaalsContact O-CD 3.3Å; I46-P48 WeakPolarHBondContact O-CD 3.3Å |
| 47 | C | 51.5 | Low | 53.3 | Low | 113 Ų | 113 | 144.5 Ų | 144.5 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | | | trans | -74 | 116 | 167 | -69.6 | 0 | 0 | 0 | 0 | 107.6 | R45 E49 | R45-C47 PolarHBondContact O-N 3.42Å; C47-E49 PolarHBondContact O-N 3.15Å |
| 48 | P | 48.8 | Very low | 53.6 | Low | 101 Ų | 101 | 142.6 Ų | 142.6 | 66% | 0.656 | 79% | 0.791 | S | S | * | * | | | trans | -69.9 | 130.6 | 171.6 | 27.9 | -31.1 | 0 | 0 | 0 | 108.8 | I46 S50 | I46-P48 VanDerWaalsContact O-CD 3.3Å; I46-P48 WeakPolarHBondContact O-CD 3.3Å; P48-S50 PolarHBondContact O-N 3.3Å |
| 49 | E | 57.8 | Low | 53.4 | Low | 165 Ų | 165 | 143.9 Ų | 143.9 | 77% | 0.771 | 79% | 0.789 | S | S | * | * | G | 310 helix | trans | -52.6 | -1.6 | 178.8 | -80.7 | 174.2 | 68.1 | 0 | 0 | 115.2 | R30 C47 S51 | R30-E49 IonicContact NH1-OE1 3.78Å; C47-E49 PolarHBondContact O-N 3.15Å; E49-S51 VanDerWaalsContact C-N 3.3Å; E49-S51 PolarHBondContact O-N 3.44Å |
| 50 | S | 56.6 | Low | 53.7 | Low | 118 Ų | 118 | 145.6 Ų | 145.6 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | G | 310 helix | trans | -78.8 | 3.5 | -175.6 | -65.6 | 0 | 0 | 0 | 0 | 116.1 | P48 | P48-S50 PolarHBondContact O-N 3.3Š|
| 51 | S | 65.3 | Low | 53.6 | Low | 111 Ų | 111 | 147.5 Ų | 147.5 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | G | 310 helix | trans | -108 | 21.7 | -179 | -166.6 | 0 | 0 | 0 | 0 | 115.2 | E49 | E49-S51 VanDerWaalsContact C-N 3.3Å; E49-S51 PolarHBondContact O-N 3.44Å |
| 52 | C | 56.8 | Low | 53.3 | Low | 111 Ų | 111 | 146.5 Ų | 146.5 | 75% | 0.75 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -150.1 | 100.9 | 162.8 | -81.4 | 0 | 0 | 0 | 0 | 104.8 | | |
| 53 | C | 46.1 | Very low | 53.1 | Low | 97 Ų | 97 | 143.6 Ų | 143.6 | 66% | 0.655 | 78% | 0.782 | S | S | * | * | | | | -167.4 | 124.4 | 59.7 | -69.5 | 0 | 0 | 0 | 0 | 107.6 | Y55 | C53-Y55 HydrophobicContact CB-CD2 4.21Å; C53-Y55 HydrophobicContact CB-CE2 4.07Å; C53-Y55 PolarHBondContact O-N 2.97Å |
| 54 | S | 53 | Low | 53.1 | Low | 113 Ų | 113 | 148.1 Ų | 148.1 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | trans | -68.3 | 117.6 | 155 | -61.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 55 | Y | 46.8 | Very low | 53.9 | Low | 218 Ų | 218 | 151.3 Ų | 151.3 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | | | trans | -84.5 | 114.8 | 163.7 | -84.6 | -94.5 | 0 | 0 | 0 | 107.6 | C53 | C53-Y55 HydrophobicContact CB-CD2 4.21Å; C53-Y55 HydrophobicContact CB-CE2 4.07Å; C53-Y55 PolarHBondContact O-N 2.97Å |
| 56 | Y | 50.5 | Low | 53.7 | Low | 298 Ų | 298 | 144.6 Ų | 144.6 | 100% | 1.169 | 80% | 0.796 | S | S | * | * | | | trans | -72.3 | 0 | 164.8 | -93 | -93.7 | 0 | 0 | 0 | 110.5 | | |