| 1 | M | 51.2 | Low | 68.8 | Low | 244 Ų | 244 | 154 Ų | 154 | 100% | 1.202 | 78% | 0.781 | S | S | * | * | | | | 0 | 95.9 | 0 | -64.5 | 171.6 | 82.8 | 0 | 0 | 108.4 | | |
| 2 | H | 62.6 | Low | 68.9 | Low | 179 Ų | 179 | 151.8 Ų | 151.8 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | | | trans | -96.1 | 117.6 | 178.1 | -172.5 | -88.4 | 0 | 0 | 0 | 107.7 | P4 | H2-P4 WeakPolarHBondContact O-CD 3.4Š|
| 3 | R | 69.6 | Low | 67.9 | Low | 199 Ų | 199 | 155.5 Ų | 155.5 | 75% | 0.751 | 79% | 0.785 | S | S | * | * | | | trans | -83.4 | 110.3 | -178.6 | -75.9 | -177.2 | 168 | -177.7 | -3.1 | 109.1 | N5 F6 | R3-N5 PolarHBondContact O-N 2.99Å; R3-F6 PolarHBondContact O-N 3.35Å |
| 4 | P | 65.3 | Low | 66.9 | Low | 104 Ų | 104 | 153.4 Ų | 153.4 | 68% | 0.675 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | 133.1 | 169.1 | 27.7 | -30.5 | 0 | 0 | 0 | 107.3 | H2 | H2-P4 WeakPolarHBondContact O-CD 3.4Š|
| 5 | N | 72.4 | Confident | 65.7 | Low | 156 Ų | 156 | 146.8 Ų | 146.8 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 89 | 13.1 | -178.1 | -44.5 | -58.1 | 0 | 0 | 0 | 117.9 | R3 R7 | R3-N5 PolarHBondContact O-N 2.99Å; N5-R7 PolarHBondContact O-N 3.08Å; N5-R7 VanDerWaalsContact O-N 3.1Å |
| 6 | F | 75 | Confident | 65 | Low | 162 Ų | 162 | 146.6 Ų | 146.6 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | | | trans | -70.2 | 109.1 | 167.4 | -163.2 | -98.5 | 0 | 0 | 0 | 110.1 | R3 | R3-F6 PolarHBondContact O-N 3.35Š|
| 7 | R | 74.9 | Confident | 64.4 | Low | 218 Ų | 218 | 142.1 Ų | 142.1 | 82% | 0.823 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 129.2 | 171.8 | -64.6 | -172.7 | -177 | -139.6 | 0.6 | 108.5 | N5 | N5-R7 PolarHBondContact O-N 3.08Å; N5-R7 VanDerWaalsContact O-N 3.1Å |
| 8 | P | 74.1 | Confident | 63.2 | Low | 106 Ų | 106 | 143.7 Ų | 143.7 | 69% | 0.688 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 148.4 | 173.4 | 27.1 | -33 | 0 | 0 | 0 | 109.8 | T10 | P8-T10 PolarHBondContact O-N 2.99Š|
| 9 | P | 73.8 | Confident | 62.3 | Low | 115 Ų | 115 | 139.7 Ų | 139.7 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -60 | 138.1 | 176.4 | 25.8 | -33.1 | 0 | 0 | 0 | 110 | | |
| 10 | T | 69.7 | Low | 61.3 | Low | 111 Ų | 111 | 136.4 Ų | 136.4 | 68% | 0.681 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 123.5 | 176 | -48.4 | 0 | 0 | 0 | 0 | 108.9 | P8 Y13 | P8-T10 PolarHBondContact O-N 2.99Å; T10-Y13 HydrophobicContact CG2-CE2 4.38Å |
| 11 | P | 68.3 | Low | 60.7 | Low | 100 Ų | 100 | 142.9 Ų | 142.9 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 147.4 | 175.5 | 26.2 | -32.8 | 0 | 0 | 0 | 109.7 | Y13 | P11-Y13 PolarHBondContact O-N 3.47Š|
| 12 | P | 69.5 | Low | 60.1 | Low | 127 Ų | 127 | 134.6 Ų | 134.6 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 127.4 | 177.7 | 25.5 | -32.4 | 0 | 0 | 0 | 109.4 | | |
| 13 | Y | 56.8 | Low | 59.1 | Low | 201 Ų | 201 | 130.3 Ų | 130.3 | 79% | 0.788 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 139.4 | 176.3 | -75.5 | -94.6 | 0 | 0 | 0 | 110.7 | T10 P11 G15 | T10-Y13 HydrophobicContact CG2-CE2 4.38Å; P11-Y13 PolarHBondContact O-N 3.47Å; Y13-G15 PolarHBondContact O-N 3.3Å; Y13-G15 VanDerWaalsContact O-N 3.1Å |
| 14 | P | 53.5 | Low | 57.6 | Low | 125 Ų | 125 | 124.6 Ų | 124.6 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | | | trans | -69.2 | 109.5 | 169 | 27.6 | -29.5 | 0 | 0 | 0 | 108.5 | | |
| 15 | G | 48.5 | Very low | 56.7 | Low | 55 Ų | 55 | 124.7 Ų | 124.7 | 57% | 0.567 | 78% | 0.778 | S | S | * | * | | | trans | -63.7 | 155 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y13 G17 | Y13-G15 PolarHBondContact O-N 3.3Å; Y13-G15 VanDerWaalsContact O-N 3.1Å; G15-G17 PolarHBondContact O-N 2.74Å |
| 16 | P | 55.6 | Low | 55.4 | Low | 144 Ų | 144 | 123.1 Ų | 123.1 | 94% | 0.935 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -68.1 | 106.6 | -178.7 | -8 | 23.5 | 0 | 0 | 0 | 109.4 | | |
| 17 | G | 53.7 | Low | 53.9 | Low | 69 Ų | 69 | 124.5 Ų | 124.5 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | | | trans | 96.8 | 80.8 | 162.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | G15 | G15-G17 PolarHBondContact O-N 2.74Š|
| 18 | I | 44.1 | Very low | 52.4 | Low | 172 Ų | 172 | 125.8 Ų | 125.8 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | | | | -153.6 | 130.9 | 127.5 | -144.8 | 78.9 | 0 | 0 | 0 | 108.3 | | |
| 19 | G | 44.9 | Very low | 50.4 | Low | 67 Ų | 67 | 124.3 Ų | 124.3 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | | | trans | -60.3 | 137.8 | -157.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 20 | G | 41.8 | Very low | 48.5 | Very low | 74 Ų | 74 | 123.9 Ų | 123.9 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | | | trans | -58.8 | 144.8 | 158.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | G22 | G20-G22 PolarHBondContact O-N 3.2Š|
| 21 | W | 49.1 | Very low | 47.5 | Very low | 273 Ų | 273 | 127.4 Ų | 127.4 | 100% | 1.034 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -73.5 | 103.9 | 169.8 | -64.9 | 50.7 | 0 | 0 | 0 | 106.2 | | |
| 22 | G | 39.7 | Very low | 46.3 | Very low | 70 Ų | 70 | 126.3 Ų | 126.3 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | | | trans | -178.2 | 123.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | G20 | G20-G22 PolarHBondContact O-N 3.2Š|
| 23 | G | 41.4 | Very low | 45.5 | Very low | 88 Ų | 88 | 124.5 Ų | 124.5 | 91% | 0.907 | 83% | 0.825 | S | S | * | * | | | trans | -64.1 | 171.5 | -166.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 24 | G | 37.3 | Very low | 45.6 | Very low | 80 Ų | 80 | 118 Ų | 118 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | | | trans | 149.5 | 110.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 25 | S | 47.5 | Very low | 45.9 | Very low | 105 Ų | 105 | 118.3 Ų | 118.3 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | | | trans | -53.8 | 140.4 | 170 | 57.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 26 | S | 43.7 | Very low | 46.7 | Very low | 123 Ų | 123 | 125.7 Ų | 125.7 | 86% | 0.86 | 83% | 0.832 | S | S | * | * | | | trans | -163.3 | 134.1 | 144.4 | -83.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 27 | F | 43.4 | Very low | 46.9 | Very low | 191 Ų | 191 | 123.7 Ų | 123.7 | 84% | 0.838 | 82% | 0.818 | S | S | * | * | | | trans | -79.4 | 155 | -173.2 | -67.7 | -98.2 | 0 | 0 | 0 | 113.1 | | |
| 28 | R | 44.3 | Very low | 47.3 | Very low | 246 Ų | 246 | 126.6 Ų | 126.6 | 93% | 0.928 | 83% | 0.825 | S | S | * | * | | | trans | 48.3 | 121.3 | 151.3 | -76.2 | -137.2 | -74.4 | -104 | 3.3 | 119.3 | | |
| 29 | G | 32.3 | Very low | 47.9 | Very low | 74 Ų | 74 | 122 Ų | 122 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | | | trans | 173.1 | 111.2 | 151.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 30 | A | 34.6 | Very low | 48.3 | Very low | 106 Ų | 106 | 124.9 Ų | 124.9 | 88% | 0.876 | 81% | 0.814 | S | S | * | * | | | trans | 75.2 | 125.1 | 141 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 31 | L | 47.8 | Very low | 49 | Very low | 185 Ų | 185 | 132.5 Ų | 132.5 | 97% | 0.969 | 82% | 0.82 | S | S | * | * | | | trans | -45.1 | 137.6 | 156.9 | -61.7 | 146.9 | 0 | 0 | 0 | 112 | | |
| 32 | G | 43.1 | Very low | 49.2 | Very low | 77 Ų | 77 | 126.8 Ų | 126.8 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | | | trans | 168.2 | 114.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 33 | G | 53.6 | Low | 49.5 | Very low | 89 Ų | 89 | 127 Ų | 127 | 92% | 0.918 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 131.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 34 | G | 58.5 | Low | 50.2 | Low | 64 Ų | 64 | 135 Ų | 135 | 66% | 0.66 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 154.6 | 162.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | R36 | G34-R36 PolarHBondContact O-N 2.99Š|
| 35 | P | 58.7 | Low | 50.7 | Low | 132 Ų | 132 | 134.2 Ų | 134.2 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 129.3 | -175.8 | 24.6 | -32.1 | 0 | 0 | 0 | 111.1 | | |
| 36 | R | 65.4 | Low | 50.6 | Low | 211 Ų | 211 | 134.4 Ų | 134.4 | 80% | 0.796 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 134.3 | 174.8 | -172.7 | 179.7 | 177.9 | 179.4 | -0.4 | 109.1 | G34 | G34-R36 PolarHBondContact O-N 2.99Š|
| 37 | P | 60.4 | Low | 51 | Low | 101 Ų | 101 | 133.8 Ų | 133.8 | 66% | 0.656 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 148.1 | 172.9 | 26.9 | -33.9 | 0 | 0 | 0 | 109.8 | S39 | P37-S39 PolarHBondContact O-N 2.93Š|
| 38 | P | 62.2 | Low | 51.5 | Low | 130 Ų | 130 | 132 Ų | 132 | 84% | 0.844 | 80% | 0.797 | S | S | * | * | | | trans | -59.9 | 114.9 | 174.5 | 25.3 | -31.9 | 0 | 0 | 0 | 108.4 | | |
| 39 | S | 55.8 | Low | 51.8 | Low | 75 Ų | 75 | 129.6 Ų | 129.6 | 52% | 0.524 | 80% | 0.796 | S | S | . | * | | | trans | -61.2 | 141.9 | 170.4 | 24.4 | 0 | 0 | 0 | 0 | 109.3 | P37 R41 | P37-S39 PolarHBondContact O-N 2.93Å; S39-R41 PolarHBondContact O-N 3.3Å |
| 40 | P | 54.2 | Low | 52.9 | Low | 128 Ų | 128 | 132.2 Ų | 132.2 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | | | trans | -58.5 | 108.7 | 178.1 | -20.5 | 31.8 | 0 | 0 | 0 | 108.8 | D42 | P40-D42 PolarHBondContact O-N 2.89Š|
| 41 | R | 55.6 | Low | 54 | Low | 235 Ų | 235 | 132.5 Ų | 132.5 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | | | trans | -70.3 | 102.3 | 174.8 | -160.4 | 179.5 | -169.1 | -171.6 | 2.7 | 106.4 | S39 | S39-R41 PolarHBondContact O-N 3.3Š|
| 42 | D | 54 | Low | 54.3 | Low | 153 Ų | 153 | 129.8 Ų | 129.8 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | 12.8 | 122.4 | 152.1 | -49.3 | -57.7 | 0 | 0 | 0 | 116.2 | P40 | P40-D42 PolarHBondContact O-N 2.89Š|
| 43 | G | 47 | Very low | 54.6 | Low | 75 Ų | 75 | 132.7 Ų | 132.7 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | | | trans | 146.4 | 60.5 | 155 | 0 | 0 | 0 | 0 | 0 | 116.7 | G45 | G43-G45 VanDerWaalsContact C-N 3.27Å; G43-G45 PolarHBondContact O-N 2.8Å |
| 44 | Y | 55.1 | Low | 54.5 | Low | 255 Ų | 255 | 131.6 Ų | 131.6 | 100% | 1 | 78% | 0.779 | S | S | * | * | | | trans | -65.3 | 96 | 146.7 | -115.3 | -99 | 0 | 0 | 0 | 106.7 | | |
| 45 | G | 48.6 | Very low | 54.2 | Low | 64 Ų | 64 | 134.9 Ų | 134.9 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | | | trans | -160.2 | 90.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | G43 | G43-G45 VanDerWaalsContact C-N 3.27Å; G43-G45 PolarHBondContact O-N 2.8Å |
| 46 | S | 44.6 | Very low | 53.5 | Low | 109 Ų | 109 | 139.9 Ų | 139.9 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | | | trans | 74.6 | 138.2 | 155.1 | -87.4 | 0 | 0 | 0 | 0 | 122.4 | H48 | S46-H48 PolarHBondContact O-N 2.86Š|
| 47 | P | 53.2 | Low | 53 | Low | 110 Ų | 110 | 134.3 Ų | 134.3 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -92.7 | 69.3 | -172.6 | 39.4 | -33.9 | 0 | 0 | 0 | 111.6 | | |
| 48 | H | 53.9 | Low | 52.7 | Low | 153 Ų | 153 | 140.9 Ų | 140.9 | 71% | 0.708 | 80% | 0.801 | S | S | * | * | | | trans | -143.1 | 80 | 176.1 | -69.3 | -70.6 | 0 | 0 | 0 | 112.2 | S46 | S46-H48 PolarHBondContact O-N 2.86Š|
| 49 | H | 50.1 | Low | 52.2 | Low | 196 Ų | 196 | 140.6 Ų | 140.6 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | | | trans | -152.5 | 69.8 | 156.7 | -92.7 | -53.8 | 0 | 0 | 0 | 111.5 | | |
| 50 | T | 55.9 | Low | 51.6 | Low | 129 Ų | 129 | 148.5 Ų | 148.5 | 79% | 0.791 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 125.5 | 153.7 | 47.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 51 | P | 56.9 | Low | 51.1 | Low | 112 Ų | 112 | 145.9 Ų | 145.9 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 135.9 | 172.3 | 26.4 | -30.6 | 0 | 0 | 0 | 110.1 | C53 | P51-C53 PolarHBondContact O-N 3.46Š|
| 52 | P | 53.3 | Low | 50.2 | Low | 127 Ų | 127 | 139.8 Ų | 139.8 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 123.9 | 175.1 | 28.3 | -30.8 | 0 | 0 | 0 | 109.7 | G54 | P52-G54 PolarHBondContact O-N 3.07Š|
| 53 | C | 49.9 | Very low | 49.9 | Very low | 139 Ų | 139 | 137.9 Ų | 137.9 | 94% | 0.939 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 120.7 | 167.5 | -58.3 | 0 | 0 | 0 | 0 | 109.6 | P51 | P51-C53 PolarHBondContact O-N 3.46Š|
| 54 | G | 51.4 | Low | 49.7 | Very low | 65 Ų | 65 | 142.8 Ų | 142.8 | 67% | 0.67 | 81% | 0.81 | S | S | * | * | | | trans | 174.5 | 154.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | P52 R56 | P52-G54 PolarHBondContact O-N 3.07Å; G54-R56 PolarHBondContact O-N 2.86Å |
| 55 | P | 51.6 | Low | 49.3 | Very low | 134 Ų | 134 | 135.7 Ų | 135.7 | 87% | 0.87 | 80% | 0.797 | S | S | * | * | | | trans | -75.7 | 123.8 | -167.6 | 30.7 | -32.6 | 0 | 0 | 0 | 111.5 | A57 | P55-A57 PolarHBondContact O-N 3.07Š|
| 56 | R | 45.7 | Very low | 49.2 | Very low | 237 Ų | 237 | 138.7 Ų | 138.7 | 89% | 0.894 | 81% | 0.805 | S | S | * | * | | | trans | -74.6 | 107.4 | -177.6 | -165.7 | 171.4 | -170.9 | 129.3 | -1.1 | 110.7 | G54 R58 | G54-R56 PolarHBondContact O-N 2.86Å; R56-R58 PolarHBondContact O-N 2.58Å |
| 57 | A | 53.5 | Low | 49.4 | Very low | 93 Ų | 93 | 144.7 Ų | 144.7 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 130 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | P55 | P55-A57 PolarHBondContact O-N 3.07Š|
| 58 | R | 55.1 | Low | 48.8 | Very low | 240 Ų | 240 | 148.5 Ų | 148.5 | 91% | 0.906 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 140.5 | 179.3 | -77.3 | -177.1 | 161.7 | -153.9 | -3.7 | 111 | R56 | R56-R58 PolarHBondContact O-N 2.58Š|
| 59 | P | 50.7 | Low | 48.3 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 80% | 0.799 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 149.3 | 174.4 | 32.5 | -31.3 | 0 | 0 | 0 | 111.8 | | |
| 60 | Y | 44.1 | Very low | 47.9 | Very low | 241 Ų | 241 | 139.1 Ų | 139.1 | 95% | 0.945 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 142.4 | -178.9 | -140.2 | -107.6 | 0 | 0 | 0 | 113.4 | | |
| 61 | G | 42.8 | Very low | 47.1 | Very low | 73 Ų | 73 | 137.2 Ų | 137.2 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | | | trans | 107.5 | 100.3 | 153.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 62 | S | 36 | Very low | 46.5 | Very low | 107 Ų | 107 | 141.1 Ų | 141.1 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | | | trans | -159.8 | 109.2 | 145.3 | -171.4 | 0 | 0 | 0 | 0 | 110.1 | H64 | S62-H64 PolarHBondContact O-N 3.13Š|
| 63 | S | 49.7 | Very low | 46.1 | Very low | 114 Ų | 114 | 140.9 Ų | 140.9 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | | | trans | -77.2 | 107 | -175 | -56 | 0 | 0 | 0 | 0 | 112 | | |
| 64 | H | 42.7 | Very low | 45.5 | Very low | 177 Ų | 177 | 138 Ų | 138 | 82% | 0.819 | 81% | 0.81 | S | S | * | * | | | trans | -141.4 | 104.4 | 161.1 | -69.7 | 80 | 0 | 0 | 0 | 109.6 | S62 | S62-H64 PolarHBondContact O-N 3.13Š|
| 65 | S | 45.6 | Very low | 45.3 | Very low | 106 Ų | 106 | 139.4 Ų | 139.4 | 74% | 0.741 | 82% | 0.816 | S | S | * | * | | | trans | -91.6 | 152.5 | 168.3 | -54.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 66 | P | 47.3 | Very low | 45 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | | | trans | -116.4 | 112.3 | 136 | 30.9 | -20.4 | 0 | 0 | 0 | 108.8 | | |
| 67 | R | 47.7 | Very low | 44.9 | Very low | 235 Ų | 235 | 141.6 Ų | 141.6 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | | | trans | -78.2 | 122 | 163.1 | -70.6 | -178 | 174.8 | -142.6 | -0.4 | 107.5 | | |
| 68 | H | 41.9 | Very low | 44 | Very low | 190 Ų | 190 | 140.9 Ų | 140.9 | 88% | 0.88 | 81% | 0.814 | S | S | * | * | | | trans | -125.8 | 113.3 | 154.6 | -110.5 | -71.2 | 0 | 0 | 0 | 107.8 | | |
| 69 | G | 42.3 | Very low | 43.7 | Very low | 77 Ų | 77 | 135.2 Ų | 135.2 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | | | trans | -92.4 | 158.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 70 | G | 41.7 | Very low | 43.5 | Very low | 76 Ų | 76 | 135.2 Ų | 135.2 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | | | trans | 135.1 | 97.4 | 157 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 71 | S | 39.8 | Very low | 44 | Very low | 89 Ų | 89 | 129.3 Ų | 129.3 | 62% | 0.622 | 81% | 0.805 | S | S | * | * | | | | 59.1 | 119 | 127.5 | -87.4 | 0 | 0 | 0 | 0 | 126.6 | | |
| 72 | F | 43.9 | Very low | 44.1 | Very low | 194 Ų | 194 | 131.9 Ų | 131.9 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | | | trans | 65.4 | 142.5 | 144.7 | -40.8 | -60.1 | 0 | 0 | 0 | 119.6 | | |
| 73 | S | 44.9 | Very low | 44.4 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | | | cis | -168.2 | 151.9 | 25.4 | 48.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 74 | G | 38 | Very low | 43.7 | Very low | 78 Ų | 78 | 129.2 Ų | 129.2 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | trans | 99.3 | 100.7 | 139.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 75 | A | 46.6 | Very low | 43.6 | Very low | 96 Ų | 96 | 131.6 Ų | 131.6 | 79% | 0.793 | 82% | 0.819 | S | S | * | * | | | trans | 159.1 | 92.5 | 133.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 76 | R | 45.1 | Very low | 43.9 | Very low | 218 Ų | 218 | 132.8 Ų | 132.8 | 82% | 0.823 | 83% | 0.825 | S | S | * | * | | | | 74.7 | 97.9 | 81.4 | -74.4 | -165.4 | -142 | -115 | 4 | 115.3 | | |
| 77 | F | 42.7 | Very low | 43.5 | Very low | 198 Ų | 198 | 129.5 Ų | 129.5 | 87% | 0.868 | 81% | 0.814 | S | S | * | * | | | trans | 69 | 128.3 | 140 | -61.1 | -79.4 | 0 | 0 | 0 | 122.8 | | |
| 78 | G | 34.8 | Very low | 43 | Very low | 78 Ų | 78 | 124.2 Ų | 124.2 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | | | | 117 | 109.7 | 125.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 79 | S | 48.6 | Very low | 43 | Very low | 121 Ų | 121 | 125.6 Ų | 125.6 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | | | trans | -75.9 | 148.7 | 143.1 | -51.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 80 | P | 48.3 | Very low | 43 | Very low | 123 Ų | 123 | 127.9 Ų | 127.9 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | | | | -150.8 | 173.9 | 68 | 36.2 | -13.8 | 0 | 0 | 0 | 116.3 | | |
| 81 | S | 53.4 | Low | 43.1 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | | | trans | -61.2 | 156.9 | 169.3 | -59.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 82 | P | 44.5 | Very low | 43.6 | Very low | 128 Ų | 128 | 137 Ų | 137 | 83% | 0.831 | 83% | 0.829 | S | S | * | * | | | trans | -124 | 125.7 | 153.1 | 32.4 | -17.4 | 0 | 0 | 0 | 112.3 | | |
| 83 | G | 43.4 | Very low | 43.9 | Very low | 85 Ų | 85 | 134 Ų | 134 | 88% | 0.876 | 83% | 0.829 | S | S | * | * | | | trans | -84 | 169.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 84 | G | 34.7 | Very low | 43.9 | Very low | 80 Ų | 80 | 133.4 Ų | 133.4 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | | | trans | 164.4 | 114.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 85 | Y | 40.8 | Very low | 43.8 | Very low | 227 Ų | 227 | 133.2 Ų | 133.2 | 89% | 0.89 | 83% | 0.83 | S | S | * | * | | | trans | -80.8 | 175 | 173.6 | -63.4 | -93.7 | 0 | 0 | 0 | 112.4 | | |
| 86 | P | 50.8 | Low | 43.6 | Very low | 131 Ų | 131 | 133.5 Ų | 133.5 | 85% | 0.851 | 83% | 0.826 | S | S | * | * | | | | -135.5 | 138.4 | 72.2 | 30.1 | -10.2 | 0 | 0 | 0 | 113.9 | | |
| 87 | G | 39.2 | Very low | 43.6 | Very low | 58 Ų | 58 | 130.5 Ų | 130.5 | 60% | 0.598 | 82% | 0.821 | S | S | * | * | | | | 84.2 | 111.5 | 97 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 88 | S | 37.2 | Very low | 43.6 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | | | | -169.1 | 139.8 | 92 | -67.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 89 | Y | 43 | Very low | 44.4 | Very low | 220 Ų | 220 | 132.9 Ų | 132.9 | 86% | 0.863 | 81% | 0.814 | S | S | * | * | | | trans | -46.7 | 147.6 | 174 | -57.5 | -93.7 | 0 | 0 | 0 | 114.2 | | |
| 90 | S | 41.4 | Very low | 44 | Very low | 125 Ų | 125 | 136 Ų | 136 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | | | | -166 | 134.5 | 91.3 | -68.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 91 | R | 44.6 | Very low | 43.5 | Very low | 248 Ų | 248 | 133.8 Ų | 133.8 | 94% | 0.936 | 81% | 0.811 | S | S | * | * | | | trans | -88.1 | 149.8 | 174.8 | -177.8 | 174.9 | -108.6 | -123.6 | -2.5 | 109.7 | | |
| 92 | S | 49.6 | Very low | 43.3 | Very low | 108 Ų | 108 | 139.1 Ų | 139.1 | 76% | 0.755 | 82% | 0.815 | S | S | * | * | | | trans | -47.8 | 173.3 | -171.2 | -36.3 | 0 | 0 | 0 | 0 | 118.2 | | |
| 93 | P | 49.3 | Very low | 43.5 | Very low | 132 Ų | 132 | 138.4 Ų | 138.4 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | | | | -142.7 | 168.9 | 114.7 | 36.3 | -19.8 | 0 | 0 | 0 | 116.1 | | |
| 94 | A | 46.8 | Very low | 43.5 | Very low | 108 Ų | 108 | 140.4 Ų | 140.4 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | | | trans | -73.5 | 167.6 | -166.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 95 | G | 35.2 | Very low | 44 | Very low | 74 Ų | 74 | 139.9 Ų | 139.9 | 76% | 0.763 | 81% | 0.806 | S | S | * | * | | | trans | 124.7 | 149.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 96 | S | 41.3 | Very low | 44.3 | Very low | 102 Ų | 102 | 137.2 Ų | 137.2 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | | | cis | -174.1 | 136.9 | -14.8 | 57.6 | 0 | 0 | 0 | 0 | 105.5 | | |
| 97 | Q | 45.5 | Very low | 44.1 | Very low | 155 Ų | 155 | 139.8 Ų | 139.8 | 72% | 0.724 | 80% | 0.802 | S | S | * | * | | | trans | 61.2 | 129.5 | 149.2 | -53.5 | -160.2 | 10.5 | 0 | 0 | 121.1 | | |
| 98 | H | 43.3 | Very low | 44.5 | Very low | 135 Ų | 135 | 143.3 Ų | 143.3 | 63% | 0.625 | 80% | 0.803 | S | S | * | * | | | | 161.7 | 122.2 | 102.7 | -80.4 | -69.8 | 0 | 0 | 0 | 110.3 | F100 | H98-F100 HydrophobicContact CB-CD2 3.9Å; H98-F100 HydrophobicContact CB-CE2 3.61Å |
| 99 | Q | 50.5 | Low | 45 | Very low | 191 Ų | 191 | 143.1 Ų | 143.1 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | | | trans | -67.2 | 123.5 | 164.2 | -65.7 | 171.2 | -58.2 | 0 | 0 | 108.8 | | |
| 100 | F | 41.4 | Very low | 45.3 | Very low | 187 Ų | 187 | 141 Ų | 141 | 82% | 0.82 | 79% | 0.788 | S | S | * | * | | | trans | -146.7 | 131.5 | 159.4 | -70.7 | -71.1 | 0 | 0 | 0 | 110.4 | H98 | H98-F100 HydrophobicContact CB-CD2 3.9Å; H98-F100 HydrophobicContact CB-CE2 3.61Å |
| 101 | G | 38.4 | Very low | 46 | Very low | 75 Ų | 75 | 140.6 Ų | 140.6 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | trans | 92.4 | 101.4 | 148.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 102 | Y | 47.4 | Very low | 46.8 | Very low | 230 Ų | 230 | 138.1 Ų | 138.1 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | | | trans | -58.4 | 143.2 | 163.6 | -73.3 | -94.4 | 0 | 0 | 0 | 112 | | |
| 103 | S | 49.4 | Very low | 46.8 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | | | trans | 85.7 | 104.7 | 160.4 | -56.1 | 0 | 0 | 0 | 0 | 119.3 | | |
| 104 | P | 44.7 | Very low | 46.8 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | | | | -117 | 135.2 | 128.6 | 34 | -24.7 | 0 | 0 | 0 | 109.9 | | |
| 105 | G | 44.2 | Very low | 47.3 | Very low | 69 Ų | 69 | 135 Ų | 135 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | | | trans | -66.1 | 173.5 | -162.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 106 | Q | 47.7 | Very low | 48.4 | Very low | 170 Ų | 170 | 141.1 Ų | 141.1 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | | | trans | 48.3 | 80.3 | 157.6 | -55.5 | -66.7 | 6.5 | 0 | 0 | 114.9 | Q108 | Q106-Q108 PolarHBondContact O-N 3.47Š|
| 107 | Q | 47 | Very low | 49.1 | Very low | 186 Ų | 186 | 142.2 Ų | 142.2 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | | | trans | -67.9 | 82.8 | 156.3 | -65.8 | -168.3 | -5.8 | 0 | 0 | 109.4 | T109 | Q107-T109 PolarHBondContact O-N 3.25Š|
| 108 | Q | 47.4 | Very low | 49.4 | Very low | 131 Ų | 131 | 140.3 Ų | 140.3 | 61% | 0.612 | 77% | 0.77 | S | S | * | * | | | trans | -88.7 | 84.8 | 155.8 | -71 | -85.9 | 12.9 | 0 | 0 | 106.4 | Q106 Y110 | Q106-Q108 PolarHBondContact O-N 3.47Å; Q108-Y110 VanDerWaalsContact C-N 3.27Å; Q108-Y110 HydrophobicContact CB-CD2 4.14Å; Q108-Y110 HydrophobicContact CB-CE2 3.7Å; Q108-Y110 WeakPolarHBondContact O-CD2 3.14Å; Q108-Y110 PolarHBondContact O-N 2.92Å |
| 109 | T | 47.3 | Very low | 50.2 | Low | 119 Ų | 119 | 139 Ų | 139 | 73% | 0.73 | 77% | 0.771 | S | S | * | * | | | trans | -65 | 89.4 | 168.3 | -65.2 | 0 | 0 | 0 | 0 | 108.1 | Q107 | Q107-T109 PolarHBondContact O-N 3.25Š|
| 110 | Y | 48.9 | Very low | 50.6 | Low | 177 Ų | 177 | 135.3 Ų | 135.3 | 69% | 0.694 | 76% | 0.764 | S | S | * | * | | | trans | -75.9 | 124 | 160.2 | -68.1 | -83.9 | 0 | 0 | 0 | 107.2 | Q108 Q112 | Q108-Y110 VanDerWaalsContact C-N 3.27Å; Q108-Y110 HydrophobicContact CB-CD2 4.14Å; Q108-Y110 HydrophobicContact CB-CE2 3.7Å; Q108-Y110 WeakPolarHBondContact O-CD2 3.14Å; Q108-Y110 PolarHBondContact O-N 2.92Å; Y110-Q112 PolarHBondContact O-N 3.4Å |
| 111 | P | 56.5 | Low | 51.4 | Low | 115 Ų | 115 | 135.3 Ų | 135.3 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | | | trans | -63.7 | 130.3 | 171.7 | 25.5 | -29.9 | 0 | 0 | 0 | 108.5 | G113 | P111-G113 VanDerWaalsContact C-N 3.3Å; P111-G113 PolarHBondContact O-N 3.31Å |
| 112 | Q | 60.5 | Low | 52.2 | Low | 197 Ų | 197 | 135 Ų | 135 | 92% | 0.921 | 76% | 0.761 | S | S | * | * | | | trans | -46.5 | 91.2 | 169.6 | -111.7 | 86.5 | -0.4 | 0 | 0 | 110.6 | Y110 | Y110-Q112 PolarHBondContact O-N 3.4Š|
| 113 | G | 50.7 | Low | 52.6 | Low | 67 Ų | 67 | 129.2 Ų | 129.2 | 69% | 0.691 | 75% | 0.754 | S | S | * | * | | | trans | -92.3 | 121.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | P111 | P111-G113 VanDerWaalsContact C-N 3.3Å; P111-G113 PolarHBondContact O-N 3.31Å |
| 114 | S | 49.8 | Very low | 53.1 | Low | 79 Ų | 79 | 127.7 Ų | 127.7 | 55% | 0.552 | 76% | 0.756 | S | S | * | * | | | trans | -37.8 | 142.3 | 173 | -158.6 | 0 | 0 | 0 | 0 | 112.5 | R116 | S114-R116 PolarHBondContact O-N 3.12Š|
| 115 | P | 55.9 | Low | 53.9 | Low | 135 Ų | 135 | 132.6 Ų | 132.6 | 88% | 0.877 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -74.4 | 72.6 | 173.5 | 32 | -33 | 0 | 0 | 0 | 108.5 | | |
| 116 | R | 58.9 | Low | 54.6 | Low | 204 Ų | 204 | 132.4 Ų | 132.4 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | | | trans | -120.9 | 114.5 | 174.6 | -70.3 | -177.5 | 173.3 | -172.6 | -1.3 | 105.4 | S114 | S114-R116 PolarHBondContact O-N 3.12Š|
| 117 | T | 56.3 | Low | 55 | Low | 125 Ų | 125 | 133 Ų | 133 | 77% | 0.767 | 75% | 0.751 | S | S | * | * | | | trans | 91.8 | 63.9 | 179.2 | 81.2 | 0 | 0 | 0 | 0 | 115.9 | T119 | T117-T119 PolarHBondContact O-N 3.18Š|
| 118 | S | 52 | Low | 55.6 | Low | 115 Ų | 115 | 131.4 Ų | 131.4 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | | | trans | -66.3 | 84.9 | 140.9 | 55.7 | 0 | 0 | 0 | 0 | 107.3 | P120 | S118-P120 WeakPolarHBondContact O-CD 3.39Š|
| 119 | T | 58.7 | Low | 56.2 | Low | 107 Ų | 107 | 134.1 Ų | 134.1 | 66% | 0.656 | 75% | 0.753 | S | S | * | * | | | trans | -60.3 | 120 | 161.2 | 35.7 | 0 | 0 | 0 | 0 | 106.7 | T117 F121 | T117-T119 PolarHBondContact O-N 3.18Å; T119-F121 PolarHBondContact O-N 3.39Å; T119-F121 VanDerWaalsContact O-N 3.13Å |
| 120 | P | 58.8 | Low | 56.9 | Low | 113 Ų | 113 | 137.9 Ų | 137.9 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -72.6 | -6.4 | -171.2 | 27.6 | -33.8 | 0 | 0 | 0 | 113.5 | S118 | S118-P120 WeakPolarHBondContact O-CD 3.39Š|
| 121 | F | 57.9 | Low | 57.3 | Low | 187 Ų | 187 | 133.9 Ų | 133.9 | 82% | 0.82 | 74% | 0.743 | S | S | * | * | | | trans | -101.9 | 85 | 177.2 | -62.7 | -75.4 | 0 | 0 | 0 | 109.7 | T119 | T119-F121 PolarHBondContact O-N 3.39Å; T119-F121 VanDerWaalsContact O-N 3.13Å |
| 122 | G | 55.4 | Low | 57.2 | Low | 69 Ų | 69 | 131.9 Ų | 131.9 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | | | trans | -59.1 | 137.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111 | G124 | G122-G124 PolarHBondContact O-N 2.88Š|
| 123 | S | 56.5 | Low | 57.1 | Low | 109 Ų | 109 | 128.8 Ų | 128.8 | 76% | 0.762 | 72% | 0.722 | S | S | * | * | | | trans | 12.3 | 98.4 | 156.7 | -174.7 | 0 | 0 | 0 | 0 | 116 | R125 | S123-R125 PolarHBondContact O-N 3.15Š|
| 124 | G | 59.6 | Low | 57.8 | Low | 81 Ų | 81 | 131.4 Ų | 131.4 | 84% | 0.835 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -69.8 | 65.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | G122 | G122-G124 PolarHBondContact O-N 2.88Š|
| 125 | R | 60.9 | Low | 58.7 | Low | 230 Ų | 230 | 132.6 Ų | 132.6 | 87% | 0.868 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -147.4 | 100.2 | 162.2 | -81.2 | -169.5 | 175.1 | -95.1 | 0.2 | 108.3 | S123 | S123-R125 PolarHBondContact O-N 3.15Š|
| 126 | G | 59.3 | Low | 59.5 | Low | 65 Ų | 65 | 131.4 Ų | 131.4 | 67% | 0.67 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 137.3 | 8.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 127 | R | 57.3 | Low | 60.3 | Low | 183 Ų | 183 | 125.6 Ų | 125.6 | 69% | 0.691 | 69% | 0.689 | S | S | * | * | | | trans | -124.3 | 15.1 | 176.3 | -142.7 | -171.1 | -177.5 | -157.2 | 0.5 | 115.8 | K129 | R127-K129 VanDerWaalsContact C-N 3.32Å; R127-K129 PolarHBondContact O-N 3.03Å |
| 128 | E | 58.6 | Low | 61.4 | Low | 152 Ų | 152 | 127.8 Ų | 127.8 | 71% | 0.71 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -4.1 | 179.3 | 64.8 | -154.2 | 176.9 | 0 | 0 | 114.4 | S132 | E128-S132 PolarHBondContact O-OG 3.16Š|
| 129 | K | 60.3 | Low | 62.9 | Low | 187 Ų | 187 | 128.3 Ų | 128.3 | 81% | 0.813 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | 23 | -175.4 | -74.9 | -169.7 | 175.1 | -174.9 | 0 | 115.8 | R127 | R127-K129 VanDerWaalsContact C-N 3.32Å; R127-K129 PolarHBondContact O-N 3.03Å |
| 130 | R | 63 | Low | 64.3 | Low | 198 Ų | 198 | 130.1 Ų | 130.1 | 75% | 0.747 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -126.3 | 10 | -179.1 | -68.5 | -168.6 | -167.6 | 133 | 4.9 | 116.5 | | |
| 131 | M | 55.9 | Low | 65.4 | Low | 94 Ų | 94 | 130.3 Ų | 130.3 | 46% | 0.463 | 67% | 0.672 | S | S | . | * | S | Bend | trans | -161.7 | 3.8 | 177 | 34.5 | -171.6 | 140.1 | 0 | 0 | 114.1 | N133 E134 | M131-N133 PolarHBondContact O-N 3.05Å; M131-N133 VanDerWaalsContact O-N 3.1Å; M131-E134 PolarHBondContact O-N 3.22Å |
| 132 | S | 55.3 | Low | 66.7 | Low | 73 Ų | 73 | 124.9 Ų | 124.9 | 51% | 0.51 | 66% | 0.658 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.6 | 18.5 | -175.5 | 43.4 | 0 | 0 | 0 | 0 | 114.9 | E128 | E128-S132 PolarHBondContact O-OG 3.16Š|
| 133 | N | 59.1 | Low | 68.3 | Low | 132 Ų | 132 | 127.4 Ų | 127.4 | 71% | 0.706 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.3 | -15.5 | 173.6 | -168.5 | 57.6 | 0 | 0 | 0 | 112.5 | M131 E136 | M131-N133 PolarHBondContact O-N 3.05Å; M131-N133 VanDerWaalsContact O-N 3.1Å; N133-E136 WeakPolarHBondContact CA-OE2 3.49Å; N133-E136 PolarHBondContact N-OE2 2.98Å |
| 134 | E | 64.2 | Low | 69.8 | Low | 122 Ų | 122 | 129.3 Ų | 129.3 | 57% | 0.57 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -36.3 | -179.1 | -63.9 | 173.5 | -156.9 | 0 | 0 | 110.5 | M131 S137 Y138 | M131-E134 PolarHBondContact O-N 3.22Å; E134-S137 WeakPolarHBondContact O-CB 3.26Å; E134-S137 PolarHBondContact O-N 3.15Å; E134-S137 VanDerWaalsContact O-N 3.14Å; E134-S137 PolarHBondContact O-OG 3.1Å; E134-Y138 WeakPolarHBondContact O-CD2 3.36Å; E134-Y138 WeakPolarHBondContact O-CE2 3.43Å; E134-Y138 PolarHBondContact O-N 3.44Å |
| 135 | L | 69.5 | Low | 71.3 | Confident | 104 Ų | 104 | 132.4 Ų | 132.4 | 55% | 0.545 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -64.8 | -43.6 | 178 | -69.7 | 172 | 0 | 0 | 0 | 111.4 | S137 Y138 F139 | L135-S137 PolarHBondContact O-N 3.22Å; L135-Y138 PolarHBondContact O-N 3.18Å; L135-Y138 VanDerWaalsContact O-N 3.13Å; L135-F139 VanDerWaalsContact O-CD2 3.23Å; L135-F139 WeakPolarHBondContact O-CD2 3.14Å; L135-F139 PolarHBondContact O-N 3.16Å |
| 136 | E | 72.3 | Confident | 72.8 | Confident | 110 Ų | 110 | 125.7 Ų | 125.7 | 51% | 0.514 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -66 | -19.5 | 176.2 | -62.5 | 75.2 | -168 | 0 | 0 | 112.3 | N133 F139 | N133-E136 WeakPolarHBondContact CA-OE2 3.49Å; N133-E136 PolarHBondContact N-OE2 2.98Å; E136-F139 VanDerWaalsContact O-O 3.06Å |
| 137 | S | 74.9 | Confident | 74.4 | Confident | 82 Ų | 82 | 127.7 Ų | 127.7 | 57% | 0.573 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -79.1 | -24.4 | 174.9 | 75.6 | 0 | 0 | 0 | 0 | 113.3 | E134 L135 | E134-S137 WeakPolarHBondContact O-CB 3.26Å; E134-S137 PolarHBondContact O-N 3.15Å; E134-S137 VanDerWaalsContact O-N 3.14Å; E134-S137 PolarHBondContact O-OG 3.1Å; L135-S137 PolarHBondContact O-N 3.22Å |
| 138 | Y | 80.6 | Confident | 76.1 | Confident | 170 Ų | 170 | 128.2 Ų | 128.2 | 67% | 0.667 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -86.4 | -25.5 | 174.2 | -63.4 | -69.5 | 0 | 0 | 0 | 113 | E134 L135 | E134-Y138 WeakPolarHBondContact O-CD2 3.36Å; E134-Y138 WeakPolarHBondContact O-CE2 3.43Å; E134-Y138 PolarHBondContact O-N 3.44Å; L135-Y138 PolarHBondContact O-N 3.18Å; L135-Y138 VanDerWaalsContact O-N 3.13Å |
| 139 | F | 82.6 | Confident | 77.7 | Confident | 127 Ų | 127 | 125 Ų | 125 | 56% | 0.557 | 63% | 0.63 | S | S | * | * | | | trans | -107 | 104.6 | 179.9 | -65.5 | -73.5 | 0 | 0 | 0 | 110.9 | L135 E136 | L135-F139 VanDerWaalsContact O-CD2 3.23Å; L135-F139 WeakPolarHBondContact O-CD2 3.14Å; L135-F139 PolarHBondContact O-N 3.16Å; E136-F139 VanDerWaalsContact O-O 3.06Å |
| 140 | K | 88.4 | Confident | 79.1 | Confident | 144 Ų | 144 | 119.4 Ų | 119.4 | 63% | 0.626 | 63% | 0.626 | S | S | * | * | | | trans | -76.8 | 138.4 | 170.2 | -65.9 | -173.9 | 177.3 | -176.9 | 0 | 109.6 | S142 M143 | K140-S142 PolarHBondContact O-N 3.25Å; K140-S142 VanDerWaalsContact O-N 3.11Å; K140-M143 HydrophobicContact CB-CG 4.24Å; K140-M143 HydrophobicContact CB-SD 4.45Å; K140-M143 VanDerWaalsContact O-CB 3.31Å; K140-M143 WeakPolarHBondContact O-CB 3.36Å; K140-M143 PolarHBondContact O-N 3.2Å |
| 141 | P | 82.3 | Confident | 80.4 | Confident | 117 Ų | 117 | 115.6 Ų | 115.6 | 76% | 0.76 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -52.1 | -35.5 | 175.1 | -28.2 | 34.8 | 0 | 0 | 0 | 113.4 | M143 L144 E145 | P141-M143 PolarHBondContact O-N 3Å; P141-M143 VanDerWaalsContact O-N 3.16Å; P141-L144 PolarHBondContact O-N 2.86Å; P141-E145 PolarHBondContact O-N 3.39Å |
| 142 | S | 85.3 | Confident | 82.1 | Confident | 73 Ų | 73 | 118.8 Ų | 118.8 | 51% | 0.51 | 63% | 0.633 | S | S | . | * | G | 310 helix | trans | -63.4 | -16.5 | 177 | 65.1 | 0 | 0 | 0 | 0 | 114.5 | K140 | K140-S142 PolarHBondContact O-N 3.25Å; K140-S142 VanDerWaalsContact O-N 3.11Å |
| 143 | M | 88.8 | Confident | 83.6 | Confident | 122 Ų | 122 | 120.9 Ų | 120.9 | 60% | 0.601 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -75.6 | -17.2 | 174.3 | -67.2 | 176.2 | 57.3 | 0 | 0 | 112.7 | K140 P141 | K140-M143 HydrophobicContact CB-CG 4.24Å; K140-M143 HydrophobicContact CB-SD 4.45Å; K140-M143 VanDerWaalsContact O-CB 3.31Å; K140-M143 WeakPolarHBondContact O-CB 3.36Å; K140-M143 PolarHBondContact O-N 3.2Å; P141-M143 PolarHBondContact O-N 3Å; P141-M143 VanDerWaalsContact O-N 3.16Å |
| 144 | L | 87 | Confident | 84.9 | Confident | 150 Ų | 150 | 119.5 Ų | 119.5 | 79% | 0.785 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -107.5 | 0.4 | 178.4 | -59.9 | 176.3 | 0 | 0 | 0 | 111.7 | P141 D146 | P141-L144 PolarHBondContact O-N 2.86Å; L144-D146 PolarHBondContact O-N 3.44Å |
| 145 | E | 92.1 | Very high | 85.8 | Confident | 145 Ų | 145 | 115.8 Ų | 115.8 | 68% | 0.678 | 63% | 0.629 | S | S | * | * | | | trans | -69.3 | 124.7 | 176.5 | -171.3 | 173.2 | 175.4 | 0 | 0 | 109.1 | P141 P147 | P141-E145 PolarHBondContact O-N 3.39Å; E145-P147 WeakPolarHBondContact O-CD 3.4Å |
| 146 | D | 92.6 | Very high | 86.3 | Confident | 89 Ų | 89 | 116.6 Ų | 116.6 | 48% | 0.476 | 64% | 0.638 | S | S | . | * | | | trans | -77.5 | 117.4 | 176.4 | 176.2 | 5.9 | 0 | 0 | 0 | 109 | L144 W148 A149 | L144-D146 PolarHBondContact O-N 3.44Å; D146-W148 PolarHBondContact O-N 3.46Å; D146-W148 WeakPolarHBondContact OD1-CB 3.36Å; D146-W148 PolarHBondContact OD1-N 3.37Å; D146-A149 HydrophobicContact CB-CB 4.04Å; D146-A149 PolarHBondContact O-N 3.38Å |
| 147 | P | 92.2 | Very high | 86.7 | Confident | 107 Ų | 107 | 115.6 Ų | 115.6 | 70% | 0.695 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -8.6 | 179.1 | 18.4 | -20.8 | 0 | 0 | 0 | 113.7 | E145 | E145-P147 WeakPolarHBondContact O-CD 3.4Š|
| 148 | W | 94.1 | Very high | 86.7 | Confident | 194 Ų | 194 | 115.8 Ų | 115.8 | 74% | 0.735 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | -9.4 | -176.6 | -59.5 | 53.6 | 0 | 0 | 0 | 112.4 | D146 G150 L151 | D146-W148 PolarHBondContact O-N 3.46Å; D146-W148 WeakPolarHBondContact OD1-CB 3.36Å; D146-W148 PolarHBondContact OD1-N 3.37Å; W148-G150 PolarHBondContact O-N 3.11Å; W148-G150 VanDerWaalsContact O-N 3.16Å; W148-L151 HydrophobicContact CB-CD1 4.48Å; W148-L151 PolarHBondContact O-N 3.04Å |
| 149 | A | 90.9 | Very high | 86.5 | Confident | 84 Ų | 84 | 111 Ų | 111 | 69% | 0.694 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -22.6 | -175 | 0 | 0 | 0 | 0 | 0 | 114.2 | D146 | D146-A149 HydrophobicContact CB-CB 4.04Å; D146-A149 PolarHBondContact O-N 3.38Å |
| 150 | G | 89.5 | Confident | 86 | Confident | 71 Ų | 71 | 108.1 Ų | 108.1 | 73% | 0.732 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | 8.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115 | W148 | W148-G150 PolarHBondContact O-N 3.11Å; W148-G150 VanDerWaalsContact O-N 3.16Å |
| 151 | L | 90.4 | Very high | 85.2 | Confident | 118 Ų | 118 | 105.9 Ų | 105.9 | 62% | 0.618 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 127.4 | -179 | -63.1 | -179.1 | 0 | 0 | 0 | 110.8 | W148 | W148-L151 HydrophobicContact CB-CD1 4.48Å; W148-L151 PolarHBondContact O-N 3.04Å |
| 152 | E | 91.6 | Very high | 84.6 | Confident | 160 Ų | 160 | 106.5 Ų | 106.5 | 75% | 0.748 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 138.5 | 169.2 | -66.6 | -60.2 | 144.5 | 0 | 0 | 110.1 | V154 | E152-V154 PolarHBondContact O-N 3.16Å; E152-V154 VanDerWaalsContact O-N 3.15Å |
| 153 | P | 86.5 | Confident | 83.4 | Confident | 118 Ų | 118 | 110.6 Ų | 110.6 | 77% | 0.766 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 118.6 | 176.7 | 25.6 | -32.2 | 0 | 0 | 0 | 110 | | |
| 154 | V | 86.6 | Confident | 82.2 | Confident | 102 Ų | 102 | 108.7 Ų | 108.7 | 62% | 0.618 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 124.8 | 175.7 | -170.5 | 0 | 0 | 0 | 0 | 109 | E152 D158 I159 | E152-V154 PolarHBondContact O-N 3.16Å; E152-V154 VanDerWaalsContact O-N 3.15Å; V154-D158 HydrophobicContact CG1-CB 4.45Å; V154-I159 HydrophobicContact CB-CD1 4.39Å; V154-I159 HydrophobicContact CB-CG1 4.46Å; V154-I159 HydrophobicContact CG1-CD1 3.96Å; V154-I159 HydrophobicContact CG1-CG1 3.52Å |
| 155 | S | 83.1 | Confident | 80.9 | Confident | 45 Ų | 45 | 107.6 Ų | 107.6 | 32% | 0.315 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -72.4 | 145.3 | 176.4 | 88.1 | 0 | 0 | 0 | 0 | 110.6 | V157 D158 I159 | S155-V157 PolarHBondContact O-N 3.1Å; S155-V157 VanDerWaalsContact O-N 3.16Å; S155-V157 PolarHBondContact OG-N 2.9Å; S155-D158 WeakPolarHBondContact CB-OD2 3.31Å; S155-D158 PolarHBondContact O-N 3.28Å; S155-D158 VanDerWaalsContact O-N 3.13Å; S155-D158 PolarHBondContact OG-N 3.36Å; S155-D158 VanDerWaalsContact OG-N 3.07Å; S155-D158 PolarHBondContact OG-OD2 3.47Å; S155-I159 WeakPolarHBondContact O-CG1 3.34Å; S155-I159 PolarHBondContact O-N 2.58Å |
| 156 | V | 80.4 | Confident | 79.4 | Confident | 121 Ų | 121 | 105.5 Ų | 105.5 | 73% | 0.733 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -57.8 | -30.4 | 175 | 178.3 | 0 | 0 | 0 | 0 | 111.3 | S160 | V156-S160 PolarHBondContact O-N 3.14Å |
| 157 | V | 81.4 | Confident | 77.8 | Confident | 89 Ų | 89 | 108.2 Ų | 108.2 | 54% | 0.539 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.1 | -43.7 | 179.1 | -179.8 | 0 | 0 | 0 | 0 | 110.6 | S155 I159 S160 Q161 | S155-V157 PolarHBondContact O-N 3.1Å; S155-V157 VanDerWaalsContact O-N 3.16Å; S155-V157 PolarHBondContact OG-N 2.9Å; V157-I159 VanDerWaalsContact C-N 3.34Å; V157-I159 PolarHBondContact O-N 3.45Å; V157-S160 PolarHBondContact O-N 3.2Å; V157-S160 PolarHBondContact O-OG 3.44Å; V157-Q161 WeakPolarHBondContact O-CG 3.45Å; V157-Q161 PolarHBondContact O-N 3.45Å |
| 158 | D | 74.7 | Confident | 76.2 | Confident | 85 Ų | 85 | 108.4 Ų | 108.4 | 46% | 0.455 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.6 | -38.6 | 177.7 | -58.8 | -38.2 | 0 | 0 | 0 | 111.8 | V154 S155 Q161 Q162 | V154-D158 HydrophobicContact CG1-CB 4.45Å; S155-D158 WeakPolarHBondContact CB-OD2 3.31Å; S155-D158 PolarHBondContact O-N 3.28Å; S155-D158 VanDerWaalsContact O-N 3.13Å; S155-D158 PolarHBondContact OG-N 3.36Å; S155-D158 VanDerWaalsContact OG-N 3.07Å; S155-D158 PolarHBondContact OG-OD2 3.47Å; D158-Q161 PolarHBondContact O-N 3.47Å; D158-Q162 WeakPolarHBondContact O-CB 3.35Å; D158-Q162 PolarHBondContact O-N 3.1Å |
| 159 | I | 75.1 | Confident | 74.6 | Confident | 69 Ų | 69 | 106 Ų | 106 | 35% | 0.354 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -60.5 | -49.1 | 174.9 | -62.5 | 170.2 | 0 | 0 | 0 | 110.1 | V154 S155 V157 Q161 Q162 Y163 | V154-I159 HydrophobicContact CB-CD1 4.39Å; V154-I159 HydrophobicContact CB-CG1 4.46Å; V154-I159 HydrophobicContact CG1-CD1 3.96Å; V154-I159 HydrophobicContact CG1-CG1 3.52Å; S155-I159 WeakPolarHBondContact O-CG1 3.34Å; S155-I159 PolarHBondContact O-N 2.58Å; V157-I159 VanDerWaalsContact C-N 3.34Å; V157-I159 PolarHBondContact O-N 3.45Å; I159-Q161 VanDerWaalsContact C-N 3.31Å; I159-Q161 PolarHBondContact O-N 2.94Å; I159-Q162 PolarHBondContact O-N 3.28Å; I159-Y163 HydrophobicContact CG2-CD2 3.75Å; I159-Y163 HydrophobicContact CG2-CE2 3.53Å; I159-Y163 WeakPolarHBondContact O-CD2 3.39Å; I159-Y163 PolarHBondContact O-N 3.24Å; I159-Y163 VanDerWaalsContact O-N 3.12Å |
| 160 | S | 73.1 | Confident | 73.2 | Confident | 67 Ų | 67 | 108.4 Ų | 108.4 | 47% | 0.469 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -62.9 | -37.2 | 179.2 | 72.4 | 0 | 0 | 0 | 0 | 112.6 | V156 V157 S164 | V156-S160 PolarHBondContact O-N 3.14Å; V157-S160 PolarHBondContact O-N 3.2Å; V157-S160 PolarHBondContact O-OG 3.44Å; S160-S164 WeakPolarHBondContact O-CB 3.23Å; S160-S164 PolarHBondContact O-N 3.45Å |
| 161 | Q | 71.4 | Confident | 71.9 | Confident | 97 Ų | 97 | 107.1 Ų | 107.1 | 45% | 0.453 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.3 | -36.1 | 176.2 | -75.4 | -175.6 | 70.3 | 0 | 0 | 112.6 | V157 D158 I159 S164 N165 | V157-Q161 WeakPolarHBondContact O-CG 3.45Å; V157-Q161 PolarHBondContact O-N 3.45Å; D158-Q161 PolarHBondContact O-N 3.47Å; I159-Q161 VanDerWaalsContact C-N 3.31Å; I159-Q161 PolarHBondContact O-N 2.94Å; Q161-S164 PolarHBondContact O-N 3.13Å; Q161-N165 WeakPolarHBondContact O-CB 3.22Å; Q161-N165 PolarHBondContact O-N 2.83Å; Q161-N165 PolarHBondContact O-ND2 3.36Å; Q161-N165 VanDerWaalsContact O-ND2 3.08Å |
| 162 | Q | 69.8 | Low | 70.8 | Confident | 130 Ų | 130 | 111.2 Ų | 111.2 | 61% | 0.607 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.4 | -41.9 | 177.8 | -171.3 | 176.5 | -45.9 | 0 | 0 | 111.8 | D158 I159 T166 | D158-Q162 WeakPolarHBondContact O-CB 3.35Å; D158-Q162 PolarHBondContact O-N 3.1Å; I159-Q162 PolarHBondContact O-N 3.28Å; Q162-T166 WeakPolarHBondContact O-CG2 2.96Å; Q162-T166 PolarHBondContact O-N 3.13Å; Q162-T166 PolarHBondContact O-OG1 3.44Å |
| 163 | Y | 61.1 | Low | 69.7 | Low | 160 Ų | 160 | 111.3 Ų | 111.3 | 63% | 0.627 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -73.2 | -31.3 | 173.4 | -70.1 | -67 | 0 | 0 | 0 | 112.8 | I159 T166 Q167 | I159-Y163 HydrophobicContact CG2-CD2 3.75Å; I159-Y163 HydrophobicContact CG2-CE2 3.53Å; I159-Y163 WeakPolarHBondContact O-CD2 3.39Å; I159-Y163 PolarHBondContact O-N 3.24Å; I159-Y163 VanDerWaalsContact O-N 3.12Å; Y163-T166 PolarHBondContact O-OG1 2.98Å; Y163-Q167 PolarHBondContact O-N 2.72Å |
| 164 | S | 62.2 | Low | 68.9 | Low | 81 Ų | 81 | 108.2 Ų | 108.2 | 57% | 0.566 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.4 | -40.7 | 174.3 | 177.8 | 0 | 0 | 0 | 0 | 112.7 | S160 Q161 | S160-S164 WeakPolarHBondContact O-CB 3.23Å; S160-S164 PolarHBondContact O-N 3.45Å; Q161-S164 PolarHBondContact O-N 3.13Å |
| 165 | N | 60.9 | Low | 68.3 | Low | 127 Ų | 127 | 113.6 Ų | 113.6 | 68% | 0.679 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -77.2 | -29.3 | -177.5 | -89.8 | -68.8 | 0 | 0 | 0 | 113.2 | Q161 Q167 | Q161-N165 WeakPolarHBondContact O-CB 3.22Å; Q161-N165 PolarHBondContact O-N 2.83Å; Q161-N165 PolarHBondContact O-ND2 3.36Å; Q161-N165 VanDerWaalsContact O-ND2 3.08Å; N165-Q167 VanDerWaalsContact C-N 3.29Å |
| 166 | T | 59.8 | Low | 67.6 | Low | 102 Ų | 102 | 119.8 Ų | 119.8 | 63% | 0.626 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -81.7 | -9.6 | 178.3 | 48.5 | 0 | 0 | 0 | 0 | 113.1 | Q162 Y163 T168 | Q162-T166 WeakPolarHBondContact O-CG2 2.96Å; Q162-T166 PolarHBondContact O-N 3.13Å; Q162-T166 PolarHBondContact O-OG1 3.44Å; Y163-T166 PolarHBondContact O-OG1 2.98Å; T166-T168 PolarHBondContact O-N 2.91Å |
| 167 | Q | 58.9 | Low | 66.8 | Low | 146 Ų | 146 | 123.4 Ų | 123.4 | 68% | 0.682 | 63% | 0.626 | S | S | * | * | | | trans | -76.9 | 67.7 | 174.8 | -162.6 | 171.6 | 23 | 0 | 0 | 111.2 | Y163 N165 F169 | Y163-Q167 PolarHBondContact O-N 2.72Å; N165-Q167 VanDerWaalsContact C-N 3.29Å; Q167-F169 PolarHBondContact O-N 3.44Å; Q167-F169 VanDerWaalsContact O-N 3.07Å |
| 168 | T | 58.1 | Low | 65.6 | Low | 111 Ų | 111 | 127.8 Ų | 127.8 | 68% | 0.681 | 66% | 0.661 | S | S | * | * | | | trans | -72.2 | 99.9 | 161.8 | -51.4 | 0 | 0 | 0 | 0 | 107.3 | T166 T170 | T166-T168 PolarHBondContact O-N 2.91Å; T168-T170 VanDerWaalsContact C-N 3.31Å; T168-T170 HydrophobicContact CG2-CG2 3.77Å; T168-T170 PolarHBondContact O-N 3.3Å |
| 169 | F | 61.1 | Low | 65.1 | Low | 144 Ų | 144 | 130 Ų | 130 | 63% | 0.632 | 67% | 0.671 | S | S | * | * | | | trans | -68 | 85.4 | 178.4 | -173 | -98.1 | 0 | 0 | 0 | 110.3 | Q167 G171 K173 | Q167-F169 PolarHBondContact O-N 3.44Å; Q167-F169 VanDerWaalsContact O-N 3.07Å; F169-G171 WeakPolarHBondContact CE2-O 3.36Å; F169-G171 VanDerWaalsContact CZ-O 3.26Å; F169-G171 WeakPolarHBondContact CZ-O 3.39Å; F169-K173 HydrophobicContact CZ-CB 4.45Å |
| 170 | T | 60.8 | Low | 64.6 | Low | 133 Ų | 133 | 133.2 Ų | 133.2 | 82% | 0.816 | 69% | 0.688 | S | S | * | * | | | trans | -95.4 | 13 | 175.2 | 61 | 0 | 0 | 0 | 0 | 113.1 | T168 | T168-T170 VanDerWaalsContact C-N 3.31Å; T168-T170 HydrophobicContact CG2-CG2 3.77Å; T168-T170 PolarHBondContact O-N 3.3Å |
| 171 | G | 62.7 | Low | 64.1 | Low | 45 Ų | 45 | 136.8 Ų | 136.8 | 46% | 0.464 | 70% | 0.7 | S | S | . | * | S | Bend | trans | -150.7 | 110.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | F169 | F169-G171 WeakPolarHBondContact CE2-O 3.36Å; F169-G171 VanDerWaalsContact CZ-O 3.26Å; F169-G171 WeakPolarHBondContact CZ-O 3.39Å |
| 172 | K | 66.6 | Low | 63.7 | Low | 203 Ų | 203 | 139.2 Ų | 139.2 | 88% | 0.883 | 71% | 0.714 | S | S | * | * | | | trans | 3.7 | 121 | 158.2 | -48 | 177.2 | -171.8 | 179.1 | 0 | 115.6 | G174 | K172-G174 PolarHBondContact O-N 2.75Å; K172-G174 VanDerWaalsContact O-N 3.15Å |
| 173 | K | 70.1 | Confident | 63.3 | Low | 162 Ų | 162 | 139.8 Ų | 139.8 | 70% | 0.704 | 72% | 0.721 | S | S | * | * | | | trans | -44.3 | 117.2 | 172.3 | 167.1 | 176.2 | 173.5 | 171.8 | 0 | 110.9 | F169 | F169-K173 HydrophobicContact CZ-CB 4.45Š|
| 174 | G | 68.4 | Low | 63.4 | Low | 53 Ų | 53 | 138.4 Ų | 138.4 | 55% | 0.546 | 73% | 0.727 | S | S | . | * | | | trans | -64.8 | 143.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | K172 Y176 | K172-G174 PolarHBondContact O-N 2.75Å; K172-G174 VanDerWaalsContact O-N 3.15Å; G174-Y176 PolarHBondContact O-N 2.9Å |
| 175 | R | 74.1 | Confident | 63.5 | Low | 216 Ų | 216 | 142.5 Ų | 142.5 | 82% | 0.815 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 1.2 | -172 | -62.8 | -175 | -65 | -179.1 | -0.3 | 115.2 | | |
| 176 | Y | 69.4 | Low | 63.7 | Low | 175 Ų | 175 | 143.7 Ų | 143.7 | 69% | 0.686 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.4 | -12.5 | -161.5 | -66.4 | -71.4 | 0 | 0 | 0 | 115.4 | G174 | G174-Y176 PolarHBondContact O-N 2.9Š|
| 177 | F | 63 | Low | 64 | Low | 197 Ų | 197 | 147.2 Ų | 147.2 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | | | trans | -143 | 122.3 | 175.7 | -63.9 | -77.9 | 0 | 0 | 0 | 110.3 | | |
| 178 | S | 55.4 | Low | 64.5 | Low | 181 Ų | 181 | 147.3 Ų | 147.3 | 100% | 1.266 | 76% | 0.76 | S | S | * | * | | | trans | -121.2 | 0 | 169.8 | 59.2 | 0 | 0 | 0 | 0 | 108.9 | | |