| 1 | M | 28.7 | Very low | 50.7 | Low | 245 Ų | 245 | 155.2 Ų | 155.2 | 100% | 1.207 | 79% | 0.794 | S | S | * | * | | | | 0 | 144.5 | 0 | -85.8 | 178.1 | 161.5 | 0 | 0 | 109 | | |
| 2 | P | 52.5 | Low | 51.4 | Low | 110 Ų | 110 | 157.8 Ų | 157.8 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | | | trans | -84.8 | 171.1 | -155.1 | 37.3 | -34.7 | 0 | 0 | 0 | 112.2 | | |
| 3 | L | 55.2 | Low | 51.9 | Low | 163 Ų | 163 | 153.4 Ų | 153.4 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | | | | -160.1 | 126.3 | 100.1 | -86.3 | 162.3 | 0 | 0 | 0 | 110.5 | | |
| 4 | R | 54.5 | Low | 52.7 | Low | 221 Ų | 221 | 154.9 Ų | 154.9 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | | | trans | -60.4 | -179.9 | 162.4 | -80 | 175.3 | 163 | 177.7 | -5.4 | 111.2 | | |
| 5 | H | 52.7 | Low | 53.2 | Low | 149 Ų | 149 | 154.5 Ų | 154.5 | 69% | 0.69 | 78% | 0.781 | S | S | * | * | | | trans | 101.4 | 98.2 | 170.5 | -55.3 | -71.1 | 0 | 0 | 0 | 110.8 | | |
| 6 | S | 46.4 | Very low | 53.6 | Low | 109 Ų | 109 | 148.3 Ų | 148.3 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | | | | 34 | 99.7 | 52.6 | -171.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 7 | K | 58 | Low | 53.7 | Low | 165 Ų | 165 | 153.8 Ų | 153.8 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | | | trans | -174.4 | 123.8 | 137.7 | -97.7 | 155.5 | -171.4 | -171.2 | 0 | 111 | | |
| 8 | N | 55.3 | Low | 54 | Low | 140 Ų | 140 | 152.9 Ų | 152.9 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | | | trans | 66 | 81.7 | 134.3 | -61.7 | -6.3 | 0 | 0 | 0 | 117.4 | A10 | N8-A10 PolarHBondContact O-N 3.06Š|
| 9 | Q | 46.5 | Very low | 54.2 | Low | 165 Ų | 165 | 153.3 Ų | 153.3 | 77% | 0.771 | 77% | 0.769 | S | S | * | * | | | | -1 | 90.7 | 112.6 | -161.9 | 178.7 | 42.2 | 0 | 0 | 113.8 | H11 | Q9-H11 PolarHBondContact NE2-NE2 2.96Š|
| 10 | A | 56.6 | Low | 54.3 | Low | 88 Ų | 88 | 150 Ų | 150 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | trans | -91.9 | 96.8 | 160.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | N8 K12 | N8-A10 PolarHBondContact O-N 3.06Å; A10-K12 PolarHBondContact O-N 3.01Å; A10-K12 VanDerWaalsContact C-N 3.35Å |
| 11 | H | 51.2 | Low | 54.3 | Low | 152 Ų | 152 | 150.9 Ų | 150.9 | 70% | 0.704 | 77% | 0.773 | S | S | * | * | | | trans | -60.9 | 100.6 | 163.7 | -84.7 | -85.3 | 0 | 0 | 0 | 107.6 | Q9 S13 | Q9-H11 PolarHBondContact NE2-NE2 2.96Å; H11-S13 VanDerWaalsContact C-N 3.3Å; H11-S13 PolarHBondContact O-N 3.19Å |
| 12 | K | 59.6 | Low | 55.6 | Low | 186 Ų | 186 | 146 Ų | 146 | 81% | 0.809 | 75% | 0.747 | S | S | * | * | | | trans | -70.5 | 96 | 162.7 | -75.5 | -177.5 | 178.9 | -179.3 | 0 | 106.2 | A10 E14 | A10-K12 PolarHBondContact O-N 3.01Å; A10-K12 VanDerWaalsContact C-N 3.35Å; K12-E14 PolarHBondContact O-N 3.21Å |
| 13 | S | 57.4 | Low | 55.7 | Low | 101 Ų | 101 | 152.4 Ų | 152.4 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | | | trans | -65.6 | 101.2 | 169 | -172.4 | 0 | 0 | 0 | 0 | 108.1 | H11 F15 | H11-S13 VanDerWaalsContact C-N 3.3Å; H11-S13 PolarHBondContact O-N 3.19Å; S13-F15 PolarHBondContact O-N 3.05Å |
| 14 | E | 63.5 | Low | 55.5 | Low | 174 Ų | 174 | 153.2 Ų | 153.2 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -76.2 | 12.4 | 177.1 | -68.4 | -177.9 | 133.1 | 0 | 0 | 112.9 | K12 | K12-E14 PolarHBondContact O-N 3.21Š|
| 15 | F | 59.4 | Low | 55.6 | Low | 149 Ų | 149 | 148.4 Ų | 148.4 | 65% | 0.654 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -89.6 | 1.5 | -178.2 | -108.7 | -92.2 | 0 | 0 | 0 | 114.9 | S13 | S13-F15 PolarHBondContact O-N 3.05Š|
| 16 | G | 59.8 | Low | 55.7 | Low | 55 Ų | 55 | 148.7 Ų | 148.7 | 57% | 0.567 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -83.2 | -5.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 17 | W | 56.3 | Low | 56.1 | Low | 243 Ų | 243 | 148 Ų | 148 | 92% | 0.92 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -101.1 | -9 | -174.1 | -67.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 18 | L | 58.8 | Low | 56 | Low | 138 Ų | 138 | 148.6 Ų | 148.6 | 72% | 0.723 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -89.8 | -7.8 | -177.4 | -77.3 | 166.8 | 0 | 0 | 0 | 114.8 | | |
| 19 | F | 57 | Low | 55.7 | Low | 159 Ų | 159 | 145.4 Ų | 145.4 | 70% | 0.697 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -111 | 5 | -176.2 | -70.3 | -82.2 | 0 | 0 | 0 | 114.8 | | |
| 20 | A | 57.4 | Low | 56.3 | Low | 88 Ų | 88 | 145.3 Ų | 145.3 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -91.8 | 10.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 21 | L | 53.9 | Low | 56 | Low | 168 Ų | 168 | 150.4 Ų | 150.4 | 88% | 0.88 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -135.4 | 36.5 | -172.2 | -116.1 | 152 | 0 | 0 | 0 | 113.8 | | |
| 22 | Q | 55.3 | Low | 56 | Low | 144 Ų | 144 | 146.7 Ų | 146.7 | 67% | 0.673 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -130.9 | 16.9 | -172.3 | -143.5 | -177.3 | 8.9 | 0 | 0 | 116.4 | | |
| 23 | R | 54.5 | Low | 55.7 | Low | 244 Ų | 244 | 147.5 Ų | 147.5 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -134.3 | 23.9 | -177.3 | -76.9 | -163.6 | 168.8 | -175.1 | -2.4 | 117.9 | | |
| 24 | E | 52.3 | Low | 55.5 | Low | 179 Ų | 179 | 147.8 Ų | 147.8 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -124.6 | -10.8 | 168.9 | -75.2 | -170.2 | 141.6 | 0 | 0 | 115.5 | | |
| 25 | T | 55.2 | Low | 55.2 | Low | 120 Ų | 120 | 147.9 Ų | 147.9 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | 0.5 | -175.8 | 24.8 | 0 | 0 | 0 | 0 | 116.2 | | |
| 26 | I | 55.1 | Low | 55.3 | Low | 155 Ų | 155 | 147.5 Ų | 147.5 | 80% | 0.795 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -15.1 | -179.3 | -63.8 | 172.6 | 0 | 0 | 0 | 112.4 | | |
| 27 | A | 55.9 | Low | 55.2 | Low | 95 Ų | 95 | 151.1 Ų | 151.1 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -98.2 | 1.1 | -171 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 28 | Q | 54.1 | Low | 55.4 | Low | 178 Ų | 178 | 147.8 Ų | 147.8 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -115.8 | 7.3 | -172.8 | -73 | -172.2 | -24.7 | 0 | 0 | 115.7 | | |
| 29 | G | 49.2 | Very low | 54.9 | Low | 73 Ų | 73 | 145.7 Ų | 145.7 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -95 | 3.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 30 | I | 58.8 | Low | 54.8 | Low | 163 Ų | 163 | 143.1 Ų | 143.1 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -126 | 51.5 | -175 | -42 | 176.1 | 0 | 0 | 0 | 111 | | |
| 31 | Q | 51.7 | Low | 54.8 | Low | 195 Ų | 195 | 146.7 Ų | 146.7 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | | | trans | -150.1 | 88.8 | 161.9 | -76.7 | -158.8 | 5 | 0 | 0 | 110.2 | | |
| 32 | G | 50.2 | Low | 55.1 | Low | 73 Ų | 73 | 142.2 Ų | 142.2 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | | | trans | -168.9 | 55.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 33 | K | 54.4 | Low | 55.4 | Low | 204 Ų | 204 | 145 Ų | 145 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | | | trans | 23.3 | 109.8 | 146.2 | -60.7 | 177.4 | 177.7 | 178.4 | 0 | 117.6 | | |
| 34 | S | 52.6 | Low | 55.7 | Low | 107 Ų | 107 | 140.5 Ų | 140.5 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | | | | 172 | 110.7 | 108.9 | 44.6 | 0 | 0 | 0 | 0 | 109.3 | D36 | S34-D36 PolarHBondContact O-N 3.13Å; S34-D36 VanDerWaalsContact O-N 3.14Å |
| 35 | L | 57.2 | Low | 55.7 | Low | 175 Ų | 175 | 137 Ų | 137 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | | | trans | -82.7 | 53.9 | 173.2 | -168.7 | 91.2 | 0 | 0 | 0 | 108.6 | | |
| 36 | D | 60.8 | Low | 55.6 | Low | 141 Ų | 141 | 139.5 Ų | 139.5 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | | | trans | -153.8 | 55.9 | -175.3 | -80.6 | -59.9 | 0 | 0 | 0 | 112.1 | S34 | S34-D36 PolarHBondContact O-N 3.13Å; S34-D36 VanDerWaalsContact O-N 3.14Å |
| 37 | T | 58.4 | Low | 55.6 | Low | 131 Ų | 131 | 138.2 Ų | 138.2 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -154.5 | 73.2 | 144.4 | -31 | 0 | 0 | 0 | 0 | 108.7 | S39 | T37-S39 PolarHBondContact O-N 2.86Š|
| 38 | L | 59.6 | Low | 55.6 | Low | 173 Ų | 173 | 138.7 Ų | 138.7 | 91% | 0.906 | 77% | 0.77 | S | S | * | * | | | trans | -60.8 | 86.5 | 153.6 | -82.2 | 157.4 | 0 | 0 | 0 | 107.1 | P40 | L38-P40 VanDerWaalsContact O-CD 3.31Å; L38-P40 WeakPolarHBondContact O-CD 3.31Å |
| 39 | S | 48.4 | Very low | 55.7 | Low | 94 Ų | 94 | 134.4 Ų | 134.4 | 66% | 0.657 | 76% | 0.764 | S | S | * | * | | | trans | -77.6 | 110.8 | 151.2 | -172.3 | 0 | 0 | 0 | 0 | 104.9 | T37 L41 | T37-S39 PolarHBondContact O-N 2.86Å; S39-L41 PolarHBondContact O-N 3.14Å |
| 40 | P | 55.4 | Low | 56.1 | Low | 106 Ų | 106 | 135.9 Ų | 135.9 | 69% | 0.688 | 76% | 0.763 | S | S | * | * | | | trans | -67.1 | 94.4 | 168.4 | 29.9 | -28.6 | 0 | 0 | 0 | 104.4 | L38 A42 | L38-P40 VanDerWaalsContact O-CD 3.31Å; L38-P40 WeakPolarHBondContact O-CD 3.31Å; P40-A42 PolarHBondContact O-N 2.8Å |
| 41 | L | 58.1 | Low | 55.8 | Low | 163 Ų | 163 | 130 Ų | 130 | 85% | 0.853 | 74% | 0.739 | S | S | * | * | | | trans | -53.2 | 103 | 154.1 | -109.2 | 153.4 | 0 | 0 | 0 | 103.5 | S39 F43 | S39-L41 PolarHBondContact O-N 3.14Å; L41-F43 PolarHBondContact O-N 3.1Å; L41-F43 VanDerWaalsContact O-N 3.07Å |
| 42 | A | 60.2 | Low | 55.9 | Low | 74 Ų | 74 | 125.6 Ų | 125.6 | 61% | 0.612 | 73% | 0.727 | S | S | * | * | | | trans | -46.4 | 121.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | P40 L44 | P40-A42 PolarHBondContact O-N 2.8Å; A42-L44 PolarHBondContact O-N 3.07Å |
| 43 | F | 60.8 | Low | 56.2 | Low | 203 Ų | 203 | 129.3 Ų | 129.3 | 89% | 0.89 | 73% | 0.725 | S | S | * | * | | | trans | -56.2 | 92.9 | 156.6 | -76.6 | -94.7 | 0 | 0 | 0 | 104.7 | L41 P45 | L41-F43 PolarHBondContact O-N 3.1Å; L41-F43 VanDerWaalsContact O-N 3.07Å; F43-P45 VanDerWaalsContact O-CD 3.22Å; F43-P45 WeakPolarHBondContact O-CD 3.47Å; F43-P45 VanDerWaalsContact O-N 3.15Å |
| 44 | L | 61.4 | Low | 56.5 | Low | 148 Ų | 148 | 127.5 Ų | 127.5 | 78% | 0.775 | 72% | 0.717 | S | S | * | * | | | trans | -57.3 | 118.5 | 159.8 | -74.5 | 165.7 | 0 | 0 | 0 | 103.4 | A42 W46 | A42-L44 PolarHBondContact O-N 3.07Å; L44-W46 PolarHBondContact O-N 2.77Å |
| 45 | P | 52.8 | Low | 56.8 | Low | 105 Ų | 105 | 132.8 Ų | 132.8 | 68% | 0.682 | 72% | 0.722 | S | S | * | * | | | trans | -58.5 | 104.5 | 160.8 | 26.2 | -29.1 | 0 | 0 | 0 | 103.7 | F43 D47 | F43-P45 VanDerWaalsContact O-CD 3.22Å; F43-P45 WeakPolarHBondContact O-CD 3.47Å; F43-P45 VanDerWaalsContact O-N 3.15Å; P45-D47 PolarHBondContact O-N 2.73Å |
| 46 | W | 52.9 | Low | 57 | Low | 173 Ų | 173 | 127.5 Ų | 127.5 | 66% | 0.655 | 70% | 0.7 | S | S | * | * | | | trans | -65.6 | 97.1 | 161.5 | 108 | -68.3 | 0 | 0 | 0 | 102.7 | L44 N48 A51 | L44-W46 PolarHBondContact O-N 2.77Å; W46-N48 HydrophobicContact CD2-CB 4.31Å; W46-N48 VanDerWaalsContact CE2-CG 3.47Å; W46-N48 WeakPolarHBondContact CH2-OD1 3.22Å; W46-N48 HydrophobicContact CZ2-CB 3.85Å; W46-N48 WeakPolarHBondContact CZ2-OD1 3.25Å; W46-N48 PolarHBondContact O-N 2.7Å; W46-A51 HydrophobicContact CH2-CB 4.15Å; W46-A51 HydrophobicContact CZ3-CB 3.99Å |
| 47 | D | 54.6 | Low | 56.9 | Low | 129 Ų | 129 | 125.4 Ų | 125.4 | 69% | 0.69 | 69% | 0.689 | S | S | * | * | | | trans | -59.4 | 103.5 | 163.3 | -91.7 | -55 | 0 | 0 | 0 | 104.7 | P45 A49 | P45-D47 PolarHBondContact O-N 2.73Å; D47-A49 PolarHBondContact O-N 3.38Å |
| 48 | N | 55.7 | Low | 56.8 | Low | 105 Ų | 105 | 124.6 Ų | 124.6 | 56% | 0.561 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 43.8 | 179.9 | -163.9 | 3.3 | 0 | 0 | 0 | 110.6 | W46 | W46-N48 HydrophobicContact CD2-CB 4.31Å; W46-N48 VanDerWaalsContact CE2-CG 3.47Å; W46-N48 WeakPolarHBondContact CH2-OD1 3.22Å; W46-N48 HydrophobicContact CZ2-CB 3.85Å; W46-N48 WeakPolarHBondContact CZ2-OD1 3.25Å; W46-N48 PolarHBondContact O-N 2.7Å |
| 49 | A | 56.1 | Low | 56.6 | Low | 87 Ų | 87 | 124.1 Ų | 124.1 | 72% | 0.719 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.5 | 5.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D47 | D47-A49 PolarHBondContact O-N 3.38Š|
| 50 | S | 58 | Low | 56.8 | Low | 105 Ų | 105 | 124.5 Ų | 124.5 | 73% | 0.734 | 67% | 0.671 | S | S | * | * | | | trans | -140.8 | 24.3 | -178.7 | -47.6 | 0 | 0 | 0 | 0 | 113.8 | P52 | S50-P52 VanDerWaalsContact O-CD 3.25Å; S50-P52 WeakPolarHBondContact O-CD 2.81Å |
| 51 | A | 51.7 | Low | 56.6 | Low | 40 Ų | 40 | 125.6 Ų | 125.6 | 33% | 0.331 | 67% | 0.666 | S | S | . | * | | | trans | -80.7 | 112.5 | 155.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | W46 H53 | W46-A51 HydrophobicContact CH2-CB 4.15Å; W46-A51 HydrophobicContact CZ3-CB 3.99Å; A51-H53 VanDerWaalsContact C-N 3.33Å; A51-H53 PolarHBondContact O-CD2 3.04Å; A51-H53 PolarHBondContact O-N 3.12Å |
| 52 | P | 54.7 | Low | 56.4 | Low | 101 Ų | 101 | 121.3 Ų | 121.3 | 66% | 0.656 | 65% | 0.654 | S | S | * | * | | | trans | -65.7 | 103.1 | 166.3 | 28.5 | -31.3 | 0 | 0 | 0 | 106.3 | S50 F54 | S50-P52 VanDerWaalsContact O-CD 3.25Å; S50-P52 WeakPolarHBondContact O-CD 2.81Å; P52-F54 HydrophobicContact CB-CD2 3.92Å; P52-F54 HydrophobicContact CB-CE2 4.12Å; P52-F54 HydrophobicContact CG-CD2 4.45Å; P52-F54 PolarHBondContact O-N 3.04Å |
| 53 | H | 57.1 | Low | 56.2 | Low | 151 Ų | 151 | 128.6 Ų | 128.6 | 70% | 0.699 | 67% | 0.666 | S | S | * | * | | | trans | -63.2 | 81.7 | 170.2 | -75.8 | -96.1 | 0 | 0 | 0 | 108.3 | A51 Y55 | A51-H53 VanDerWaalsContact C-N 3.33Å; A51-H53 PolarHBondContact O-CD2 3.04Å; A51-H53 PolarHBondContact O-N 3.12Å; H53-Y55 PolarHBondContact O-N 3.25Å |
| 54 | F | 59.6 | Low | 56 | Low | 166 Ų | 166 | 127.3 Ų | 127.3 | 73% | 0.728 | 66% | 0.655 | S | S | * | * | | | trans | -79.2 | 64.5 | 165.4 | -91.8 | -87.4 | 0 | 0 | 0 | 108.9 | P52 | P52-F54 HydrophobicContact CB-CD2 3.92Å; P52-F54 HydrophobicContact CB-CE2 4.12Å; P52-F54 HydrophobicContact CG-CD2 4.45Å; P52-F54 PolarHBondContact O-N 3.04Å |
| 55 | Y | 60.4 | Low | 55.8 | Low | 218 Ų | 218 | 125.9 Ų | 125.9 | 86% | 0.855 | 65% | 0.647 | S | S | * | * | | | trans | -102.2 | 69.8 | 152.1 | -75.4 | -84.2 | 0 | 0 | 0 | 106.4 | H53 D57 | H53-Y55 PolarHBondContact O-N 3.25Å; Y55-D57 PolarHBondContact O-N 3.28Å |
| 56 | S | 59.5 | Low | 55.8 | Low | 65 Ų | 65 | 126.2 Ų | 126.2 | 46% | 0.455 | 65% | 0.649 | S | S | . | * | | | trans | -72.9 | 112.5 | 166.9 | 50.4 | 0 | 0 | 0 | 0 | 107.7 | | |
| 57 | D | 58.7 | Low | 56 | Low | 97 Ų | 97 | 126 Ų | 126 | 52% | 0.519 | 66% | 0.655 | S | S | . | * | | | trans | -42.1 | 131.2 | 169.7 | -160.8 | -36.6 | 0 | 0 | 0 | 110.3 | Y55 Q59 E60 | Y55-D57 PolarHBondContact O-N 3.28Å; D57-Q59 PolarHBondContact O-N 2.85Å; D57-Q59 PolarHBondContact OD1-N 2.8Å; D57-E60 PolarHBondContact O-N 2.77Å |
| 58 | P | 56.6 | Low | 56.1 | Low | 114 Ų | 114 | 126 Ų | 126 | 74% | 0.74 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -54.9 | -19.5 | 178.5 | 17.7 | -30 | 0 | 0 | 0 | 113.7 | | |
| 59 | Q | 55.1 | Low | 56.4 | Low | 162 Ų | 162 | 126.2 Ų | 126.2 | 76% | 0.757 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -74.4 | -27 | 171.4 | -81.4 | -154 | -21 | 0 | 0 | 115.1 | D57 | D57-Q59 PolarHBondContact O-N 2.85Å; D57-Q59 PolarHBondContact OD1-N 2.8Å |
| 60 | E | 54.3 | Low | 56.3 | Low | 103 Ų | 103 | 125.3 Ų | 125.3 | 48% | 0.481 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -75.9 | -27.1 | 178.6 | -92.7 | -132 | 130.6 | 0 | 0 | 112.6 | D57 A62 R63 R64 | D57-E60 PolarHBondContact O-N 2.77Å; E60-A62 VanDerWaalsContact C-N 3.33Å; E60-A62 PolarHBondContact O-N 2.75Å; E60-R63 PolarHBondContact O-N 3.43Å; E60-R64 IonicContact OE2-NH2 3.96Å |
| 61 | H | 50.4 | Low | 56.1 | Low | 129 Ų | 129 | 126.8 Ų | 126.8 | 60% | 0.597 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -67.4 | -34.2 | 178.4 | -165.9 | 74.8 | 0 | 0 | 0 | 112.2 | R63 R64 | H61-R63 PolarHBondContact O-N 2.87Å; H61-R64 PolarHBondContact O-N 2.9Å; H61-R64 VanDerWaalsContact O-N 3.12Å |
| 62 | A | 54.7 | Low | 56.3 | Low | 72 Ų | 72 | 131 Ų | 131 | 60% | 0.595 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -65.9 | -22.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E60 | E60-A62 VanDerWaalsContact C-N 3.33Å; E60-A62 PolarHBondContact O-N 2.75Å |
| 63 | R | 55.7 | Low | 56.4 | Low | 228 Ų | 228 | 133.6 Ų | 133.6 | 86% | 0.86 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -84.2 | -10.1 | 175.8 | -90.5 | -178.2 | 166.5 | 162.2 | -2.1 | 114.2 | E60 H61 | E60-R63 PolarHBondContact O-N 3.43Å; H61-R63 PolarHBondContact O-N 2.87Å |
| 64 | R | 56.4 | Low | 56.2 | Low | 176 Ų | 176 | 133.2 Ų | 133.2 | 66% | 0.664 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -105.4 | 11.5 | 178.8 | -64.1 | -172.3 | -172.7 | 178.3 | 6.3 | 113.3 | E60 H61 P66 | E60-R64 IonicContact OE2-NH2 3.96Å; H61-R64 PolarHBondContact O-N 2.9Å; H61-R64 VanDerWaalsContact O-N 3.12Å; R64-P66 WeakPolarHBondContact O-CD 3.1Å |
| 65 | L | 56 | Low | 55.9 | Low | 117 Ų | 117 | 133.3 Ų | 133.3 | 61% | 0.613 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -75.2 | 120.9 | 162.3 | -75.4 | 165.6 | 0 | 0 | 0 | 107.1 | H67 | L65-H67 PolarHBondContact O-N 3.29Š|
| 66 | P | 54.6 | Low | 55.3 | Low | 112 Ų | 112 | 128.3 Ų | 128.3 | 73% | 0.727 | 70% | 0.7 | S | S | * | * | | | trans | -57 | 121.9 | 170.8 | 24.6 | -30.7 | 0 | 0 | 0 | 106.5 | R64 C68 | R64-P66 WeakPolarHBondContact O-CD 3.1Å; P66-C68 PolarHBondContact O-N 2.98Å |
| 67 | H | 55.8 | Low | 54.8 | Low | 168 Ų | 168 | 134.8 Ų | 134.8 | 78% | 0.778 | 74% | 0.74 | S | S | * | * | | | trans | -41.3 | 120.9 | 164.7 | -75.8 | -96.2 | 0 | 0 | 0 | 107.1 | L65 S69 | L65-H67 PolarHBondContact O-N 3.29Å; H67-S69 PolarHBondContact O-N 3.34Å; H67-S69 PolarHBondContact O-OG 3.47Å |
| 68 | C | 57.9 | Low | 54.6 | Low | 131 Ų | 131 | 136.7 Ų | 136.7 | 89% | 0.885 | 75% | 0.751 | S | S | * | * | | | trans | -66 | 61.3 | 160.5 | -72.7 | 0 | 0 | 0 | 0 | 108.2 | P66 G70 | P66-C68 PolarHBondContact O-N 2.98Å; C68-G70 PolarHBondContact O-N 2.87Å |
| 69 | S | 60.2 | Low | 54.5 | Low | 109 Ų | 109 | 137.9 Ų | 137.9 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | | | trans | -82.9 | 93.1 | 171.5 | 53.9 | 0 | 0 | 0 | 0 | 106.4 | H67 | H67-S69 PolarHBondContact O-N 3.34Å; H67-S69 PolarHBondContact O-OG 3.47Å |
| 70 | G | 55.9 | Low | 54.4 | Low | 67 Ų | 67 | 136.6 Ų | 136.6 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 152.3 | 3.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 120 | C68 | C68-G70 PolarHBondContact O-N 2.87Š|
| 71 | L | 53.9 | Low | 54.4 | Low | 136 Ų | 136 | 138.5 Ų | 138.5 | 71% | 0.712 | 77% | 0.768 | S | S | * | * | | | trans | -141.1 | 115.3 | 176.6 | -72.8 | 171.6 | 0 | 0 | 0 | 111.6 | H73 L74 | L71-H73 PolarHBondContact O-N 2.96Å; L71-H73 VanDerWaalsContact O-N 3.1Å; L71-L74 HydrophobicContact CD1-CD1 4.4Å |
| 72 | P | 54.6 | Low | 54.7 | Low | 129 Ų | 129 | 139.1 Ų | 139.1 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 12.6 | -172.2 | 30.8 | -34.5 | 0 | 0 | 0 | 115 | | |
| 73 | H | 56.7 | Low | 54.7 | Low | 156 Ų | 156 | 143.6 Ų | 143.6 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -156.4 | 36.3 | -171.6 | -129 | -74.7 | 0 | 0 | 0 | 117.1 | L71 | L71-H73 PolarHBondContact O-N 2.96Å; L71-H73 VanDerWaalsContact O-N 3.1Å |
| 74 | L | 53.6 | Low | 54.6 | Low | 142 Ų | 142 | 137.6 Ų | 137.6 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | | | trans | -104.4 | 94.8 | 159.6 | -98.2 | 107.9 | 0 | 0 | 0 | 109.3 | L71 C76 | L71-L74 HydrophobicContact CD1-CD1 4.4Å; L74-C76 PolarHBondContact O-N 3.37Å; L74-C76 VanDerWaalsContact O-N 3.13Å |
| 75 | Q | 52 | Low | 54.5 | Low | 168 Ų | 168 | 134.6 Ų | 134.6 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | | | trans | -59.9 | 107.2 | 161.6 | -71.6 | 168.3 | -24.9 | 0 | 0 | 107.4 | | |
| 76 | C | 48.5 | Very low | 54.4 | Low | 114 Ų | 114 | 136.1 Ų | 136.1 | 77% | 0.77 | 81% | 0.81 | S | S | * | * | | | trans | -63.7 | 136.6 | 161.9 | -61 | 0 | 0 | 0 | 0 | 107.8 | L74 | L74-C76 PolarHBondContact O-N 3.37Å; L74-C76 VanDerWaalsContact O-N 3.13Å |
| 77 | P | 48.7 | Very low | 54.3 | Low | 201 Ų | 201 | 138.3 Ų | 138.3 | 100% | 1.305 | 82% | 0.817 | S | S | * | * | | | trans | -62.2 | 0 | 174.1 | 28.2 | -34.6 | 0 | 0 | 0 | 112.3 | | |