| 1 | M | 42.8 | Very low | 51.6 | Low | 247 Ų | 247 | 142.4 Ų | 142.4 | 100% | 1.217 | 80% | 0.804 | S | S | * | * | | | | 0 | 101.3 | 0 | -70.4 | 173.5 | 171.4 | 0 | 0 | 106.8 | | |
| 2 | S | 50.6 | Low | 51.7 | Low | 129 Ų | 129 | 146.5 Ų | 146.5 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | | | trans | -83.6 | 127.2 | -170 | -55.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 3 | A | 50.4 | Low | 51.8 | Low | 101 Ų | 101 | 146.3 Ų | 146.3 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | | | trans | -65.1 | 129.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | N5 | A3-N5 PolarHBondContact O-N 2.73Š|
| 4 | W | 55.8 | Low | 51.7 | Low | 237 Ų | 237 | 148.3 Ų | 148.3 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | | | trans | -81.7 | 110.1 | 172.9 | -178.6 | -88 | 0 | 0 | 0 | 109.3 | A6 | W4-A6 PolarHBondContact O-N 3.42Š|
| 5 | N | 47.6 | Very low | 51.6 | Low | 137 Ų | 137 | 142.9 Ų | 142.9 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | | | trans | -77.1 | 101.9 | 179.9 | -161.7 | -0.9 | 0 | 0 | 0 | 109.7 | A3 S7 | A3-N5 PolarHBondContact O-N 2.73Å; N5-S7 PolarHBondContact OD1-OG 3.24Å; N5-S7 PolarHBondContact O-N 3.11Å |
| 6 | A | 52.8 | Low | 51.3 | Low | 79 Ų | 79 | 142 Ų | 142 | 65% | 0.653 | 76% | 0.763 | S | S | * | * | | | trans | -83.7 | 22.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | W4 Q8 | W4-A6 PolarHBondContact O-N 3.42Å; A6-Q8 PolarHBondContact O-N 3.48Å |
| 7 | S | 51.5 | Low | 51.1 | Low | 94 Ų | 94 | 142.2 Ų | 142.2 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | 10.7 | -160.7 | -59.9 | 0 | 0 | 0 | 0 | 117.4 | N5 | N5-S7 PolarHBondContact OD1-OG 3.24Å; N5-S7 PolarHBondContact O-N 3.11Å |
| 8 | Q | 51.1 | Low | 51 | Low | 180 Ų | 180 | 137.4 Ų | 137.4 | 84% | 0.841 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.3 | 25.5 | -171.9 | -69.4 | -166.7 | -32.6 | 0 | 0 | 117.2 | A6 V10 | A6-Q8 PolarHBondContact O-N 3.48Å; Q8-V10 PolarHBondContact O-N 3.36Å |
| 9 | I | 53.5 | Low | 51 | Low | 140 Ų | 140 | 136.1 Ų | 136.1 | 72% | 0.718 | 74% | 0.735 | S | S | * | * | | | trans | -87.7 | 85.9 | 167.7 | -53.3 | 176.2 | 0 | 0 | 0 | 108.3 | | |
| 10 | V | 56 | Low | 51 | Low | 124 Ų | 124 | 136.4 Ų | 136.4 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | | | trans | -85.3 | 121.3 | 166.5 | -169.6 | 0 | 0 | 0 | 0 | 107.3 | Q8 F12 | Q8-V10 PolarHBondContact O-N 3.36Å; V10-F12 PolarHBondContact O-N 3.23Å |
| 11 | P | 55.4 | Low | 51 | Low | 98 Ų | 98 | 136.9 Ų | 136.9 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | | | trans | -71.2 | 118.1 | 174.7 | 27.6 | -30.2 | 0 | 0 | 0 | 109.1 | Q13 | P11-Q13 PolarHBondContact O-N 2.78Š|
| 12 | F | 52.6 | Low | 51.7 | Low | 192 Ų | 192 | 133.5 Ų | 133.5 | 84% | 0.842 | 72% | 0.716 | S | S | * | * | | | trans | -73.4 | 70.7 | 172.1 | -150.1 | -91.6 | 0 | 0 | 0 | 108.4 | V10 | V10-F12 PolarHBondContact O-N 3.23Š|
| 13 | Q | 53.3 | Low | 52 | Low | 144 Ų | 144 | 130.8 Ų | 130.8 | 67% | 0.673 | 71% | 0.708 | S | S | * | * | | | trans | -98.1 | -8 | -174.4 | -169.2 | 61.3 | 71.6 | 0 | 0 | 112.7 | P11 | P11-Q13 PolarHBondContact O-N 2.78Š|
| 14 | E | 49.6 | Very low | 52.2 | Low | 174 Ų | 174 | 129.8 Ų | 129.8 | 81% | 0.813 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -99.2 | 127.6 | -178.9 | -59.6 | -175.8 | 120.4 | 0 | 0 | 109.2 | | |
| 15 | S | 51.6 | Low | 52.4 | Low | 67 Ų | 67 | 123 Ų | 123 | 47% | 0.469 | 69% | 0.694 | S | S | . | * | | | trans | 97.7 | 35.2 | 178.1 | -151.4 | 0 | 0 | 0 | 0 | 117.5 | S18 | S15-S18 WeakPolarHBondContact OG-CB 3.47Å; S15-S18 PolarHBondContact OG-OG 3.05Å |
| 16 | F | 46.4 | Very low | 53 | Low | 129 Ų | 129 | 122.5 Ų | 122.5 | 57% | 0.566 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -81.5 | -28.5 | 158.1 | -87 | -85.2 | 0 | 0 | 0 | 112.9 | S18 L19 | F16-S18 PolarHBondContact O-N 2.77Å; F16-L19 HydrophobicContact CD1-CD1 4.36Å; F16-L19 PolarHBondContact O-N 3.11Å |
| 17 | D | 48 | Very low | 53.5 | Low | 145 Ų | 145 | 124.9 Ų | 124.9 | 78% | 0.775 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -26.5 | 179.4 | -67.8 | -44.5 | 0 | 0 | 0 | 112.9 | | |
| 18 | S | 48.1 | Very low | 53.8 | Low | 57 Ų | 57 | 127.9 Ų | 127.9 | 40% | 0.399 | 70% | 0.7 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79 | -30.9 | 177.1 | -42.9 | 0 | 0 | 0 | 0 | 112.1 | S15 F16 L20 L21 F22 | S15-S18 WeakPolarHBondContact OG-CB 3.47Å; S15-S18 PolarHBondContact OG-OG 3.05Å; F16-S18 PolarHBondContact O-N 2.77Å; S18-L20 PolarHBondContact O-N 3.45Å; S18-L21 PolarHBondContact O-N 2.94Å; S18-F22 WeakPolarHBondContact O-CD2 3.24Å; S18-F22 VanDerWaalsContact O-CD2 3.24Å |
| 19 | L | 51.2 | Low | 54.3 | Low | 111 Ų | 111 | 123.1 Ų | 123.1 | 58% | 0.581 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -72.1 | -31 | -175.8 | -76.9 | 167.4 | 0 | 0 | 0 | 113.2 | F16 L21 F22 | F16-L19 HydrophobicContact CD1-CD1 4.36Å; F16-L19 PolarHBondContact O-N 3.11Å; L19-L21 PolarHBondContact O-N 3.11Å; L19-F22 PolarHBondContact O-N 3.07Å |
| 20 | L | 51.1 | Low | 54.9 | Low | 143 Ų | 143 | 122.6 Ų | 122.6 | 75% | 0.749 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -67.4 | -21 | 177.9 | -68.6 | 171.5 | 0 | 0 | 0 | 112.7 | S18 | S18-L20 PolarHBondContact O-N 3.45Å |
| 21 | L | 52.4 | Low | 55.6 | Low | 147 Ų | 147 | 126 Ų | 126 | 77% | 0.77 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -91.3 | -27.3 | -178.6 | -160 | 69.4 | 0 | 0 | 0 | 113.6 | S18 L19 | S18-L21 PolarHBondContact O-N 2.94Å; L19-L21 PolarHBondContact O-N 3.11Å |
| 22 | F | 56.5 | Low | 56.2 | Low | 175 Ų | 175 | 129 Ų | 129 | 77% | 0.768 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -91.2 | -10 | -176.9 | -76.6 | -78.3 | 0 | 0 | 0 | 114.8 | S18 L19 | S18-F22 WeakPolarHBondContact O-CD2 3.24Å; S18-F22 VanDerWaalsContact O-CD2 3.24Å; L19-F22 PolarHBondContact O-N 3.07Å |
| 23 | G | 57.4 | Low | 57.1 | Low | 72 Ų | 72 | 126 Ų | 126 | 74% | 0.742 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -92.3 | -11.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 24 | A | 55.2 | Low | 58 | Low | 81 Ų | 81 | 125.1 Ų | 125.1 | 67% | 0.669 | 70% | 0.704 | S | S | * | * | | | trans | -101.9 | 30.4 | -169 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q26 | A24-Q26 PolarHBondContact O-N 3.2Š|
| 25 | A | 60.2 | Low | 59.2 | Low | 94 Ų | 94 | 126 Ų | 126 | 78% | 0.777 | 71% | 0.706 | S | S | * | * | | | trans | -75.7 | 13.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 26 | Q | 58.3 | Low | 59.9 | Low | 126 Ų | 126 | 127.3 Ų | 127.3 | 59% | 0.589 | 71% | 0.711 | S | S | * | * | | | trans | -137.1 | 127.5 | 171.2 | -74.9 | -171.2 | 8.9 | 0 | 0 | 111.8 | A24 H28 | A24-Q26 PolarHBondContact O-N 3.2Å; Q26-H28 PolarHBondContact O-N 3.45Å; Q26-H28 VanDerWaalsContact O-N 3.11Å |
| 27 | P | 64.7 | Low | 60.9 | Low | 130 Ų | 130 | 125.8 Ų | 125.8 | 84% | 0.844 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -72.4 | 0 | -177.4 | 30 | -35.8 | 0 | 0 | 0 | 113.7 | | |
| 28 | H | 56.3 | Low | 61.4 | Low | 156 Ų | 156 | 129 Ų | 129 | 72% | 0.722 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -125.7 | 132.4 | 177.9 | -73.1 | 29.9 | 0 | 0 | 0 | 107.6 | Q26 H30 | Q26-H28 PolarHBondContact O-N 3.45Å; Q26-H28 VanDerWaalsContact O-N 3.11Å; H28-H30 PolarHBondContact O-N 3.02Å |
| 29 | G | 62.4 | Low | 62.1 | Low | 81 Ų | 81 | 130 Ų | 130 | 84% | 0.835 | 74% | 0.742 | S | S | * | * | | | trans | -57.6 | 93.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 30 | H | 65.7 | Low | 62.6 | Low | 129 Ų | 129 | 135.2 Ų | 135.2 | 60% | 0.597 | 75% | 0.754 | S | S | * | * | | | trans | -98.5 | 115.8 | 176 | -176.3 | -86.2 | 0 | 0 | 0 | 108.6 | H28 Q32 | H28-H30 PolarHBondContact O-N 3.02Å; H30-Q32 PolarHBondContact O-N 3.23Å |
| 31 | F | 70.9 | Confident | 63.2 | Low | 196 Ų | 196 | 136.9 Ų | 136.9 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | | | trans | -77.6 | 112.4 | 170.1 | -64.8 | -86 | 0 | 0 | 0 | 108.6 | C33 | F31-C33 PolarHBondContact O-N 3.22Š|
| 32 | Q | 68.2 | Low | 63.7 | Low | 161 Ų | 161 | 134.5 Ų | 134.5 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | | | trans | -88.3 | 106.1 | 171.6 | -168.3 | 170.8 | 60.4 | 0 | 0 | 109.2 | H30 | H30-Q32 PolarHBondContact O-N 3.23Š|
| 33 | C | 72.3 | Confident | 64.3 | Low | 127 Ų | 127 | 134.4 Ų | 134.4 | 86% | 0.858 | 76% | 0.758 | S | S | * | * | | | trans | -82.4 | 114 | 167.7 | -175.7 | 0 | 0 | 0 | 0 | 108.6 | F31 | F31-C33 PolarHBondContact O-N 3.22Š|
| 34 | L | 71.2 | Confident | 64.3 | Low | 126 Ų | 126 | 136.8 Ų | 136.8 | 66% | 0.66 | 75% | 0.754 | S | S | * | * | | | trans | -98 | 125.5 | 171.2 | -157.3 | 97.2 | 0 | 0 | 0 | 109 | V36 | L34-V36 PolarHBondContact O-N 3.19Å; L34-V36 VanDerWaalsContact O-N 3.11Å |
| 35 | K | 74.1 | Confident | 64.2 | Low | 193 Ų | 193 | 137.1 Ų | 137.1 | 84% | 0.839 | 76% | 0.756 | S | S | * | * | | | trans | -70.3 | 105.8 | 168.5 | -172.8 | 174.2 | -177.1 | 176.1 | 0 | 108.3 | S37 | K35-S37 PolarHBondContact O-N 2.94Š|
| 36 | V | 67.9 | Low | 64.2 | Low | 94 Ų | 94 | 140.6 Ų | 140.6 | 57% | 0.57 | 75% | 0.754 | S | S | * | * | | | trans | -75.7 | 109.3 | 175.4 | -173.3 | 0 | 0 | 0 | 0 | 108.3 | L34 F38 | L34-V36 PolarHBondContact O-N 3.19Å; L34-V36 VanDerWaalsContact O-N 3.11Å; V36-F38 PolarHBondContact O-N 2.77Å |
| 37 | S | 66.3 | Low | 64 | Low | 98 Ų | 98 | 145.1 Ų | 145.1 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | | | trans | -65.3 | 125.6 | 169.1 | -46.4 | 0 | 0 | 0 | 0 | 108.6 | K35 G39 | K35-S37 PolarHBondContact O-N 2.94Å; S37-G39 PolarHBondContact O-N 2.94Å |
| 38 | F | 59.9 | Low | 63.8 | Low | 212 Ų | 212 | 146.1 Ų | 146.1 | 93% | 0.93 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | 7.2 | -175.8 | -72.7 | -85.2 | 0 | 0 | 0 | 116.5 | V36 | V36-F38 PolarHBondContact O-N 2.77Š|
| 39 | G | 62.3 | Low | 63.9 | Low | 77 Ų | 77 | 144.2 Ų | 144.2 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -12.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S37 | S37-G39 PolarHBondContact O-N 2.94Š|
| 40 | R | 60.6 | Low | 63.7 | Low | 221 Ų | 221 | 148.7 Ų | 148.7 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -130 | 101.3 | 173.8 | -67 | -173.3 | 178.5 | 169.8 | -0 | 108.6 | | |
| 41 | Q | 63.7 | Low | 63.4 | Low | 178 Ų | 178 | 148.2 Ų | 148.2 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | | | trans | -61.8 | 128.7 | 166.4 | -79.4 | -177.7 | 14.4 | 0 | 0 | 107.8 | L43 | Q41-L43 PolarHBondContact O-N 3.17Š|
| 42 | P | 64.5 | Low | 62.8 | Low | 97 Ų | 97 | 144 Ų | 144 | 63% | 0.63 | 75% | 0.749 | S | S | * | * | | | trans | -59.7 | 127.7 | 168.1 | 25.7 | -31.2 | 0 | 0 | 0 | 107.6 | L44 | P42-L44 HydrophobicContact CB-CD1 4.1Å; P42-L44 HydrophobicContact CG-CD1 4.01Å; P42-L44 PolarHBondContact O-N 3.49Å |
| 43 | L | 67.2 | Low | 62.5 | Low | 173 Ų | 173 | 146.7 Ų | 146.7 | 91% | 0.906 | 75% | 0.753 | S | S | * | * | | | trans | -66.1 | 82.7 | 171.3 | -80.7 | 159 | 0 | 0 | 0 | 108.1 | Q41 A45 | Q41-L43 PolarHBondContact O-N 3.17Å; L43-A45 PolarHBondContact O-N 3.35Å |
| 44 | L | 58.5 | Low | 61.9 | Low | 123 Ų | 123 | 151.3 Ų | 151.3 | 64% | 0.644 | 77% | 0.767 | S | S | * | * | | | trans | -72.9 | 78.4 | 165.6 | -104 | 83.4 | 0 | 0 | 0 | 107.8 | P42 F46 | P42-L44 HydrophobicContact CB-CD1 4.1Å; P42-L44 HydrophobicContact CG-CD1 4.01Å; P42-L44 PolarHBondContact O-N 3.49Å; L44-F46 HydrophobicContact CB-CD2 4.09Å; L44-F46 HydrophobicContact CB-CE2 4.3Å; L44-F46 HydrophobicContact CD2-CD2 3.69Å; L44-F46 HydrophobicContact CD2-CE2 3.42Å; L44-F46 VanDerWaalsContact CD2-CE2 3.42Å; L44-F46 HydrophobicContact CG-CD2 3.84Å; L44-F46 HydrophobicContact CG-CE2 3.55Å; L44-F46 PolarHBondContact O-N 3.5Å |
| 45 | A | 53.1 | Low | 61.4 | Low | 88 Ų | 88 | 152.6 Ų | 152.6 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | trans | -82.3 | 61.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | L43 R47 | L43-A45 PolarHBondContact O-N 3.35Å; A45-R47 PolarHBondContact O-N 3.19Å |
| 46 | F | 59.7 | Low | 60.8 | Low | 167 Ų | 167 | 150.5 Ų | 150.5 | 73% | 0.732 | 77% | 0.768 | S | S | * | * | | | trans | -79.6 | 94.4 | 163.4 | -65.8 | -72.2 | 0 | 0 | 0 | 107.7 | L44 L48 | L44-F46 HydrophobicContact CB-CD2 4.09Å; L44-F46 HydrophobicContact CB-CE2 4.3Å; L44-F46 HydrophobicContact CD2-CD2 3.69Å; L44-F46 HydrophobicContact CD2-CE2 3.42Å; L44-F46 VanDerWaalsContact CD2-CE2 3.42Å; L44-F46 HydrophobicContact CG-CD2 3.84Å; L44-F46 HydrophobicContact CG-CE2 3.55Å; L44-F46 PolarHBondContact O-N 3.5Å; F46-L48 PolarHBondContact O-N 3.29Å; F46-L48 VanDerWaalsContact O-N 3.11Å |
| 47 | R | 54.9 | Low | 60.4 | Low | 221 Ų | 221 | 153.6 Ų | 153.6 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | | | trans | -70.1 | 103.9 | 162.3 | -71.4 | -165.6 | -176.7 | -156.9 | 3 | 107 | A45 | A45-R47 PolarHBondContact O-N 3.19Š|
| 48 | L | 60.8 | Low | 60 | Low | 151 Ų | 151 | 156.9 Ų | 156.9 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | | | trans | -57.1 | 134.4 | 165 | -69.7 | 166.7 | 0 | 0 | 0 | 107.7 | F46 K50 | F46-L48 PolarHBondContact O-N 3.29Å; F46-L48 VanDerWaalsContact O-N 3.11Å; L48-K50 PolarHBondContact O-N 3.28Å |
| 49 | P | 57.9 | Low | 60 | Low | 116 Ų | 116 | 153.4 Ų | 153.4 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | | | trans | -58.3 | 112.3 | 169.6 | 23.5 | -29.4 | 0 | 0 | 0 | 106.7 | D51 | P49-D51 PolarHBondContact O-N 2.84Š|
| 50 | K | 58 | Low | 59.9 | Low | 175 Ų | 175 | 158.5 Ų | 158.5 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | | | trans | -69.3 | 96.2 | 167.7 | -162.5 | -177.6 | 178.6 | -126.5 | 0 | 104.7 | L48 D52 | L48-K50 PolarHBondContact O-N 3.28Å; K50-D52 WeakPolarHBondContact CE-OD2 3.48Å; K50-D52 IonicContact NZ-OD2 2.77Å; K50-D52 PolarHBondContact NZ-OD2 2.85Å; K50-D52 PolarHBondContact O-N 3.27Å |
| 51 | D | 60.2 | Low | 59.8 | Low | 119 Ų | 119 | 154.1 Ų | 154.1 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | | | trans | -65.7 | 86.9 | 171.4 | -151 | -70.4 | 0 | 0 | 0 | 106.4 | P49 R53 | P49-D51 PolarHBondContact O-N 2.84Å; D51-R53 PolarHBondContact O-N 3.48Å; D51-R53 VanDerWaalsContact OD1-CD 3.27Å; D51-R53 WeakPolarHBondContact OD1-CD 3.19Å; D51-R53 WeakPolarHBondContact OD1-CG 3.27Å; D51-R53 IonicContact OD1-NE 3.48Å; D51-R53 PolarHBondContact OD1-NE 3.21Å |
| 52 | D | 58.6 | Low | 59.5 | Low | 106 Ų | 106 | 152.2 Ų | 152.2 | 57% | 0.567 | 77% | 0.766 | S | S | * | * | | | trans | -87 | 67.1 | 175.5 | -131.3 | -82.2 | 0 | 0 | 0 | 106.7 | K50 | K50-D52 WeakPolarHBondContact CE-OD2 3.48Å; K50-D52 IonicContact NZ-OD2 2.77Å; K50-D52 PolarHBondContact NZ-OD2 2.85Å; K50-D52 PolarHBondContact O-N 3.27Å |
| 53 | R | 60.3 | Low | 59.1 | Low | 219 Ų | 219 | 156.8 Ų | 156.8 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | | | trans | -89.1 | 100.6 | 165.9 | -80.9 | -179.2 | -170.8 | -145.5 | 0.9 | 108.5 | D51 | D51-R53 PolarHBondContact O-N 3.48Å; D51-R53 VanDerWaalsContact OD1-CD 3.27Å; D51-R53 WeakPolarHBondContact OD1-CD 3.19Å; D51-R53 WeakPolarHBondContact OD1-CG 3.27Å; D51-R53 IonicContact OD1-NE 3.48Å; D51-R53 PolarHBondContact OD1-NE 3.21Å |
| 54 | I | 60.2 | Low | 58.4 | Low | 224 Ų | 224 | 155.4 Ų | 155.4 | 100% | 1.149 | 77% | 0.766 | S | S | * | * | | | trans | -70.2 | 0 | 157.4 | -61.8 | 172.7 | 0 | 0 | 0 | 108.6 | | |