| 1 | M | 43.3 | Very low | 50.2 | Low | 249 Ų | 249 | 163.7 Ų | 163.7 | 100% | 1.227 | 89% | 0.89 | S | S | * | * | | | | 0 | 117.3 | 0 | -85 | 162 | 169.7 | 0 | 0 | 108.1 | | |
| 2 | A | 46.6 | Very low | 49.9 | Very low | 83 Ų | 83 | 160.1 Ų | 160.1 | 69% | 0.686 | 89% | 0.885 | S | S | * | * | | | trans | -81.6 | 151.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 3 | M | 50.4 | Low | 49.9 | Very low | 191 Ų | 191 | 155.7 Ų | 155.7 | 94% | 0.941 | 88% | 0.883 | S | S | * | * | | | trans | -151.1 | 119.3 | 154.3 | -72.2 | -72.9 | 108.9 | 0 | 0 | 109 | | |
| 4 | S | 55 | Low | 49.7 | Very low | 112 Ų | 112 | 150.3 Ų | 150.3 | 78% | 0.783 | 88% | 0.879 | S | S | * | * | | | trans | -68.2 | 146.2 | -177.4 | -51.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 5 | L | 58.7 | Low | 49.9 | Very low | 187 Ų | 187 | 148.4 Ų | 148.4 | 98% | 0.979 | 88% | 0.877 | S | S | * | * | | | trans | -95.4 | 114.5 | 165 | -71.9 | 167.2 | 0 | 0 | 0 | 109.4 | | |
| 6 | Q | 49.7 | Very low | 50.3 | Low | 194 Ų | 194 | 154.4 Ų | 154.4 | 91% | 0.907 | 88% | 0.88 | S | S | * | * | | | trans | -130.9 | 132.4 | 174.8 | -165.6 | 146.6 | -2 | 0 | 0 | 110.7 | | |
| 7 | G | 44.4 | Very low | 50.5 | Low | 62 Ų | 62 | 159.4 Ų | 159.4 | 64% | 0.639 | 88% | 0.881 | S | S | * | * | | | trans | 124.9 | 61.7 | 155.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | R9 | G7-R9 PolarHBondContact O-N 3.39Š|
| 8 | S | 53 | Low | 50.9 | Low | 132 Ų | 132 | 163.8 Ų | 163.8 | 92% | 0.923 | 88% | 0.882 | S | S | * | * | | | trans | -77.4 | 113.3 | 159.8 | -161.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 9 | R | 56.7 | Low | 51.1 | Low | 239 Ų | 239 | 162.8 Ų | 162.8 | 90% | 0.902 | 88% | 0.883 | S | S | * | * | | | trans | -77.5 | 126.3 | -171.6 | -62.1 | -178.7 | -173.3 | -159.4 | 1.3 | 110.7 | G7 | G7-R9 PolarHBondContact O-N 3.39Š|
| 10 | R | 50.7 | Low | 51.3 | Low | 247 Ų | 247 | 160.3 Ų | 160.3 | 93% | 0.932 | 88% | 0.878 | S | S | * | * | | | trans | -0.4 | 122.5 | 162.8 | -86.2 | 173.2 | 154.4 | -176.6 | -7.1 | 117.3 | | |
| 11 | A | 43.7 | Very low | 51.6 | Low | 105 Ų | 105 | 158.1 Ų | 158.1 | 87% | 0.868 | 87% | 0.871 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 129 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 12 | S | 46 | Very low | 52.3 | Low | 120 Ų | 120 | 152.3 Ų | 152.3 | 84% | 0.839 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 128.2 | 175.4 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 13 | A | 50 | Low | 52.7 | Low | 103 Ų | 103 | 154.6 Ų | 154.6 | 85% | 0.851 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 129.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 14 | G | 48.2 | Very low | 53 | Low | 80 Ų | 80 | 150.3 Ų | 150.3 | 83% | 0.825 | 85% | 0.847 | S | S | * | * | | | trans | 149.3 | 89.4 | 158.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 15 | S | 51.9 | Low | 53.3 | Low | 122 Ų | 122 | 151.6 Ų | 151.6 | 85% | 0.853 | 85% | 0.849 | S | S | * | * | | | trans | -141.5 | 106.9 | 152.2 | -169.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 16 | R | 57.3 | Low | 53 | Low | 245 Ų | 245 | 152.7 Ų | 152.7 | 93% | 0.925 | 84% | 0.84 | S | S | * | * | | | trans | -79.7 | 118.1 | 170.1 | -115.2 | -179.7 | -84 | -150.1 | -5.5 | 107.6 | | |
| 17 | R | 53.7 | Low | 53 | Low | 238 Ų | 238 | 150.1 Ų | 150.1 | 90% | 0.898 | 83% | 0.833 | S | S | * | * | | | trans | -171.9 | 107 | 149.1 | -105.4 | 161.2 | -170.4 | -99.9 | 2.2 | 113.1 | | |
| 18 | R | 56.8 | Low | 53.4 | Low | 239 Ų | 239 | 151.8 Ų | 151.8 | 90% | 0.902 | 84% | 0.84 | S | S | * | * | | | trans | 25.4 | 122.2 | 147.5 | -56.6 | 175.8 | 92 | -128 | 8.7 | 119.8 | | |
| 19 | T | 54.8 | Low | 53.3 | Low | 146 Ų | 146 | 156.4 Ų | 156.4 | 90% | 0.896 | 84% | 0.839 | S | S | * | * | | | trans | -138.5 | 136.4 | 137.9 | 52.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 20 | S | 55.5 | Low | 53.3 | Low | 112 Ų | 112 | 148.4 Ų | 148.4 | 78% | 0.783 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 168.5 | 177.5 | 35.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 21 | P | 57.2 | Low | 53.5 | Low | 114 Ų | 114 | 143.2 Ų | 143.2 | 74% | 0.74 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 157.8 | -148 | 36.4 | -34.5 | 0 | 0 | 0 | 113.6 | | |
| 22 | P | 57.4 | Low | 53.9 | Low | 127 Ų | 127 | 144 Ų | 144 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 139.2 | 157.2 | 31.5 | -29 | 0 | 0 | 0 | 110.8 | | |
| 23 | V | 56.1 | Low | 54.4 | Low | 131 Ų | 131 | 143.2 Ų | 143.2 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 136.8 | 180 | 167.4 | 0 | 0 | 0 | 0 | 112.7 | V25 | V23-V25 PolarHBondContact O-N 2.87Š|
| 24 | S | 56.8 | Low | 54.8 | Low | 102 Ų | 102 | 146.6 Ų | 146.6 | 71% | 0.713 | 82% | 0.824 | S | S | * | * | | | trans | -48.7 | 106 | 170.4 | 175 | 0 | 0 | 0 | 0 | 111.5 | R26 | S24-R26 PolarHBondContact O-N 2.82Š|
| 25 | V | 60.3 | Low | 55.1 | Low | 138 Ų | 138 | 148 Ų | 148 | 84% | 0.836 | 82% | 0.821 | S | S | * | * | | | trans | -84.2 | 89.8 | 162.5 | -71.5 | 0 | 0 | 0 | 0 | 107.4 | V23 | V23-V25 PolarHBondContact O-N 2.87Š|
| 26 | R | 52.2 | Low | 55.3 | Low | 210 Ų | 210 | 148.2 Ų | 148.2 | 79% | 0.792 | 82% | 0.822 | S | S | * | * | | | trans | 14.3 | 109.3 | 153.2 | -73.6 | -76.7 | 172.5 | -177.4 | -2.2 | 114.9 | S24 A28 | S24-R26 PolarHBondContact O-N 2.82Å; R26-A28 PolarHBondContact O-N 2.98Å |
| 27 | D | 50.2 | Low | 55.4 | Low | 141 Ų | 141 | 141.4 Ų | 141.4 | 75% | 0.754 | 81% | 0.812 | S | S | * | * | | | trans | -12.7 | 86.8 | 153.2 | -50.9 | -79.5 | 0 | 0 | 0 | 113.5 | Y29 | D27-Y29 PolarHBondContact O-N 2.97Š|
| 28 | A | 52.4 | Low | 55.6 | Low | 96 Ų | 96 | 135.7 Ų | 135.7 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | | | trans | -76.2 | 85.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | R26 | R26-A28 PolarHBondContact O-N 2.98Š|
| 29 | Y | 51.3 | Low | 55.6 | Low | 229 Ų | 229 | 132 Ų | 132 | 90% | 0.898 | 81% | 0.807 | S | S | * | * | S | Bend | trans | 35.4 | 100.8 | 155.2 | -70.6 | -94.1 | 0 | 0 | 0 | 117.1 | D27 | D27-Y29 PolarHBondContact O-N 2.97Š|
| 30 | G | 57.3 | Low | 55.9 | Low | 71 Ų | 71 | 130.2 Ų | 130.2 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | | | trans | 100.7 | 72.2 | 133.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 31 | T | 53.5 | Low | 56 | Low | 139 Ų | 139 | 128.1 Ų | 128.1 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | | | trans | -145.8 | 54.7 | 154.3 | 74.1 | 0 | 0 | 0 | 0 | 112.1 | S33 | T31-S33 VanDerWaalsContact C-N 3.34Å; T31-S33 PolarHBondContact O-N 2.96Å; T31-S33 VanDerWaalsContact O-N 3.15Å |
| 32 | S | 52.2 | Low | 56.4 | Low | 120 Ų | 120 | 127.6 Ų | 127.6 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | | | trans | -84.3 | 78.8 | 169.9 | 55.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 33 | S | 57.7 | Low | 56.3 | Low | 104 Ų | 104 | 127.4 Ų | 127.4 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | trans | -149.2 | 123.3 | 169 | -75.7 | 0 | 0 | 0 | 0 | 110.8 | T31 | T31-S33 VanDerWaalsContact C-N 3.34Å; T31-S33 PolarHBondContact O-N 2.96Å; T31-S33 VanDerWaalsContact O-N 3.15Å |
| 34 | L | 59 | Low | 56.6 | Low | 175 Ų | 175 | 130.6 Ų | 130.6 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | | | trans | 84.2 | 84.2 | 158.4 | -46.9 | 166 | 0 | 0 | 0 | 117.1 | | |
| 35 | S | 54 | Low | 56.9 | Low | 110 Ų | 110 | 129 Ų | 129 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | | | | -171.8 | 83.7 | 122.9 | -168.4 | 0 | 0 | 0 | 0 | 110.8 | S37 | S35-S37 PolarHBondContact O-N 2.91Š|
| 36 | S | 56 | Low | 56.8 | Low | 125 Ų | 125 | 127.5 Ų | 127.5 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | | | trans | -89 | 84.6 | 158.8 | -66.1 | 0 | 0 | 0 | 0 | 107.4 | S38 | S36-S38 PolarHBondContact O-N 3.36Š|
| 37 | S | 59.6 | Low | 57.2 | Low | 103 Ų | 103 | 125.9 Ų | 125.9 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | | | trans | -79.5 | 106.4 | 168.5 | 69.2 | 0 | 0 | 0 | 0 | 109.1 | S35 N39 | S35-S37 PolarHBondContact O-N 2.91Å; S37-N39 PolarHBondContact O-N 2.87Å |
| 38 | S | 56.5 | Low | 57.7 | Low | 118 Ų | 118 | 123.5 Ų | 123.5 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | | | trans | -56.4 | 122.1 | 173.2 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | S36 | S36-S38 PolarHBondContact O-N 3.36Š|
| 39 | N | 56.7 | Low | 58 | Low | 160 Ų | 160 | 123.9 Ų | 123.9 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | | | trans | -98.4 | 100.9 | 160.2 | -165.8 | 36.1 | 0 | 0 | 0 | 108.2 | S37 G41 | S37-N39 PolarHBondContact O-N 2.87Å; N39-G41 PolarHBondContact O-N 3.03Å |
| 40 | S | 61.7 | Low | 58.3 | Low | 109 Ų | 109 | 119 Ų | 119 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | | | trans | -77 | 105.4 | 173.4 | -175.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 41 | G | 57.6 | Low | 58.6 | Low | 69 Ų | 69 | 120.6 Ų | 120.6 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | | | trans | -97.1 | 119.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | N39 | N39-G41 PolarHBondContact O-N 3.03Š|
| 42 | S | 64.9 | Low | 58.8 | Low | 102 Ų | 102 | 120.1 Ų | 120.1 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | | | trans | -64 | 143 | -166.9 | -56.1 | 0 | 0 | 0 | 0 | 117 | | |
| 43 | C | 56.1 | Low | 59.2 | Low | 124 Ų | 124 | 124.2 Ų | 124.2 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | | | trans | -1.5 | 107.2 | 152.8 | 32.5 | 0 | 0 | 0 | 0 | 118 | | |
| 44 | K | 63 | Low | 59.4 | Low | 197 Ų | 197 | 130.6 Ų | 130.6 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | | | trans | -137.2 | 112.7 | 151.5 | -85.2 | 179.8 | 64.2 | -85.9 | 0 | 110.8 | | |
| 45 | G | 61.8 | Low | 59.4 | Low | 69 Ų | 69 | 124.1 Ų | 124.1 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | | | trans | 61.3 | 102.3 | 141.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 46 | S | 59.3 | Low | 59.6 | Low | 106 Ų | 106 | 126.1 Ų | 126.1 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | | | trans | -144.7 | 83 | 148.2 | -65.2 | 0 | 0 | 0 | 0 | 108.2 | S48 | S46-S48 PolarHBondContact O-N 3.07Š|
| 47 | D | 60.9 | Low | 59.8 | Low | 176 Ų | 176 | 128.2 Ų | 128.2 | 94% | 0.941 | 75% | 0.751 | S | S | * | * | | | trans | -68.8 | 54.1 | 160.7 | -75.6 | -63.4 | 0 | 0 | 0 | 110.3 | | |
| 48 | S | 60.3 | Low | 59.7 | Low | 91 Ų | 91 | 132.8 Ų | 132.8 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | | | trans | -113 | 97.6 | 171.1 | 68.1 | 0 | 0 | 0 | 0 | 107.6 | S46 | S46-S48 PolarHBondContact O-N 3.07Š|
| 49 | S | 58.7 | Low | 59.7 | Low | 104 Ų | 104 | 132 Ų | 132 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | | | trans | -43.3 | 140.3 | 174.1 | -50.2 | 0 | 0 | 0 | 0 | 111.2 | T51 | S49-T51 VanDerWaalsContact C-N 3.33Å; S49-T51 PolarHBondContact O-N 3.27Å |
| 50 | P | 57 | Low | 59.9 | Low | 128 Ų | 128 | 132.7 Ų | 132.7 | 83% | 0.831 | 75% | 0.747 | S | S | * | * | | | trans | -73.3 | 93.4 | 178.7 | 30.6 | -31.1 | 0 | 0 | 0 | 108 | | |
| 51 | T | 63.4 | Low | 59.8 | Low | 104 Ų | 104 | 132.2 Ų | 132.2 | 64% | 0.638 | 74% | 0.743 | S | S | * | * | | | trans | -58.9 | 144.1 | 157.1 | 44.7 | 0 | 0 | 0 | 0 | 107.9 | S49 R53 | S49-T51 VanDerWaalsContact C-N 3.33Å; S49-T51 PolarHBondContact O-N 3.27Å; T51-R53 VanDerWaalsContact C-N 3.32Å; T51-R53 PolarHBondContact O-N 3.17Å |
| 52 | P | 58.5 | Low | 59.7 | Low | 128 Ų | 128 | 133.3 Ų | 133.3 | 83% | 0.831 | 74% | 0.739 | S | S | * | * | | | trans | -63.4 | 93.7 | -177.5 | -17.3 | 29.9 | 0 | 0 | 0 | 109.5 | R54 | P52-R54 VanDerWaalsContact C-N 3.29Å; P52-R54 PolarHBondContact O-N 2.95Å |
| 53 | R | 59.6 | Low | 59.7 | Low | 206 Ų | 206 | 134.3 Ų | 134.3 | 78% | 0.777 | 74% | 0.737 | S | S | * | * | | | trans | -66.5 | 92.5 | 177.2 | -77.7 | -177.6 | 159.5 | -93.8 | -1.3 | 107.5 | T51 S55 M56 | T51-R53 VanDerWaalsContact C-N 3.32Å; T51-R53 PolarHBondContact O-N 3.17Å; R53-S55 VanDerWaalsContact O-N 3.1Å; R53-S55 PolarHBondContact O-N 2.77Å; R53-M56 HydrophobicContact CB-CE 4.21Å |
| 54 | R | 62.3 | Low | 60 | Low | 239 Ų | 239 | 134 Ų | 134 | 90% | 0.902 | 73% | 0.727 | S | S | * | * | | | trans | -47.1 | 117.3 | 171.4 | -102.1 | 177.9 | 160.1 | 179.6 | -5.3 | 108.9 | P52 | P52-R54 VanDerWaalsContact C-N 3.29Å; P52-R54 PolarHBondContact O-N 2.95Å |
| 55 | S | 58.8 | Low | 60.3 | Low | 39 Ų | 39 | 131.3 Ų | 131.3 | 27% | 0.273 | 72% | 0.717 | S | S | . | * | | | trans | 65.4 | 84.9 | 140 | 172.1 | 0 | 0 | 0 | 0 | 116.4 | R53 K57 | R53-S55 VanDerWaalsContact O-N 3.1Å; R53-S55 PolarHBondContact O-N 2.77Å; S55-K57 PolarHBondContact O-N 2.72Å; S55-K57 WeakPolarHBondContact OG-CB 3.07Å; S55-K57 WeakPolarHBondContact OG-CD 3.4Å; S55-K57 WeakPolarHBondContact OG-CE 3.43Å; S55-K57 WeakPolarHBondContact OG-CG 3.49Å |
| 56 | M | 59.2 | Low | 60.3 | Low | 152 Ų | 152 | 131.7 Ų | 131.7 | 75% | 0.749 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | 25.3 | 163.8 | -41.2 | -57.5 | 177.3 | 0 | 0 | 113.9 | R53 | R53-M56 HydrophobicContact CB-CE 4.21Š|
| 57 | K | 59.8 | Low | 60.6 | Low | 169 Ų | 169 | 133.1 Ų | 133.1 | 74% | 0.735 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -6.9 | -169.6 | -49.9 | 174.4 | -158.8 | -174.8 | 0 | 113.8 | S55 | S55-K57 PolarHBondContact O-N 2.72Å; S55-K57 WeakPolarHBondContact OG-CB 3.07Å; S55-K57 WeakPolarHBondContact OG-CD 3.4Å; S55-K57 WeakPolarHBondContact OG-CE 3.43Å; S55-K57 WeakPolarHBondContact OG-CG 3.49Å |
| 58 | Y | 57.6 | Low | 61.2 | Low | 198 Ų | 198 | 132.9 Ų | 132.9 | 78% | 0.776 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -100.7 | 4.3 | -169.5 | -66.5 | -73.7 | 0 | 0 | 0 | 114.6 | | |
| 59 | T | 57.6 | Low | 61.9 | Low | 103 Ų | 103 | 133.6 Ų | 133.6 | 63% | 0.632 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -88.1 | -3.7 | -170.2 | -12.1 | 0 | 0 | 0 | 0 | 114.7 | C61 S62 | T59-C61 VanDerWaalsContact C-N 3.35Å; T59-C61 PolarHBondContact O-N 3.32Å; T59-S62 PolarHBondContact O-OG 3.47Å |
| 60 | L | 59.4 | Low | 62.7 | Low | 173 Ų | 173 | 131.1 Ų | 131.1 | 91% | 0.906 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -84.3 | -0.9 | -176.6 | -168.1 | 57.6 | 0 | 0 | 0 | 114.4 | | |
| 61 | C | 59.5 | Low | 63.7 | Low | 100 Ų | 100 | 127.7 Ų | 127.7 | 68% | 0.676 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -112.4 | 25.9 | -178.7 | -143.5 | 0 | 0 | 0 | 0 | 113.6 | T59 N64 | T59-C61 VanDerWaalsContact C-N 3.35Å; T59-C61 PolarHBondContact O-N 3.32Å; C61-N64 PolarHBondContact O-ND2 3.03Å |
| 62 | S | 56.7 | Low | 64.2 | Low | 91 Ų | 91 | 127.6 Ų | 127.6 | 64% | 0.636 | 67% | 0.672 | S | S | * | * | | | trans | -82.4 | -23.1 | -177.4 | -38.4 | 0 | 0 | 0 | 0 | 112.7 | T59 N64 | T59-S62 PolarHBondContact O-OG 3.47Å; S62-N64 PolarHBondContact O-N 2.95Å |
| 63 | D | 64.4 | Low | 65.2 | Low | 123 Ų | 123 | 128.4 Ų | 128.4 | 66% | 0.658 | 66% | 0.664 | S | S | * | * | | | trans | -92.7 | 57.8 | -170 | -160.3 | -162.2 | 0 | 0 | 0 | 111.3 | H65 | D63-H65 PolarHBondContact OD2-ND1 2.83Å; D63-H65 IonicContact OD2-ND1 3.32Å; D63-H65 PolarHBondContact OD2-CE1 3.01Å; D63-H65 IonicContact OD2-CE1 3.4Å; D63-H65 IonicContact OD1-NE2 3.79Å; D63-H65 IonicContact OD1-ND1 3.47Å; D63-H65 PolarHBondContact OD1-CE1 3.47Å; D63-H65 PolarHBondContact OD1-ND1 3.4Å; D63-H65 VanDerWaalsContact C-N 3.33Å; D63-H65 PolarHBondContact O-N 2.91Å; D63-H65 PolarHBondContact O-ND1 3.07Å; D63-H65 IonicContact OD1-CE1 2.83Å |
| 64 | N | 63.2 | Low | 66 | Low | 119 Ų | 119 | 124.3 Ų | 124.3 | 64% | 0.636 | 65% | 0.654 | S | S | * | * | | | trans | -73.7 | 90.8 | 171 | -63.3 | -83.9 | 0 | 0 | 0 | 107.1 | C61 S62 G66 | C61-N64 PolarHBondContact O-ND2 3.03Å; S62-N64 PolarHBondContact O-N 2.95Å; N64-G66 PolarHBondContact O-N 2.85Å |
| 65 | H | 68.1 | Low | 66.4 | Low | 139 Ų | 139 | 120.8 Ų | 120.8 | 64% | 0.644 | 64% | 0.642 | S | S | * | * | | | trans | -67 | 66.8 | 179.4 | -69.5 | 60.4 | 0 | 0 | 0 | 111.7 | D63 I67 | D63-H65 PolarHBondContact OD2-ND1 2.83Å; D63-H65 IonicContact OD2-ND1 3.32Å; D63-H65 PolarHBondContact OD2-CE1 3.01Å; D63-H65 IonicContact OD2-CE1 3.4Å; D63-H65 IonicContact OD1-NE2 3.79Å; D63-H65 IonicContact OD1-ND1 3.47Å; D63-H65 PolarHBondContact OD1-CE1 3.47Å; D63-H65 PolarHBondContact OD1-ND1 3.4Å; D63-H65 VanDerWaalsContact C-N 3.33Å; D63-H65 PolarHBondContact O-N 2.91Å; D63-H65 PolarHBondContact O-ND1 3.07Å; D63-H65 IonicContact OD1-CE1 2.83Å; H65-I67 VanDerWaalsContact O-CG1 3.22Å; H65-I67 WeakPolarHBondContact O-CG1 3.32Å; H65-I67 PolarHBondContact O-N 3.1Å |
| 66 | G | 62.2 | Low | 67 | Low | 78 Ų | 78 | 125 Ų | 125 | 80% | 0.804 | 66% | 0.661 | S | S | * | * | S | Bend | trans | 56.9 | 10 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | N64 K68 | N64-G66 PolarHBondContact O-N 2.85Å; G66-K68 PolarHBondContact O-N 2.82Å |
| 67 | I | 65.5 | Low | 67.9 | Low | 136 Ų | 136 | 122.9 Ų | 122.9 | 70% | 0.697 | 66% | 0.657 | S | S | * | * | | | trans | -76.6 | 98.2 | -178.2 | -47.5 | -172 | 0 | 0 | 0 | 106.2 | H65 | H65-I67 VanDerWaalsContact O-CG1 3.22Å; H65-I67 WeakPolarHBondContact O-CG1 3.32Å; H65-I67 PolarHBondContact O-N 3.1Å |
| 68 | K | 74.6 | Confident | 68.8 | Low | 170 Ų | 170 | 120.6 Ų | 120.6 | 74% | 0.739 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 133 | 166.2 | -176.6 | 174.1 | 176.3 | 177.4 | 0 | 107.2 | G66 P70 | G66-K68 PolarHBondContact O-N 2.82Å; K68-P70 VanDerWaalsContact O-N 3.16Å |
| 69 | P | 73.8 | Confident | 69.8 | Low | 106 Ų | 106 | 118.9 Ų | 118.9 | 69% | 0.688 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 128.6 | 176 | 20.2 | -31.9 | 0 | 0 | 0 | 108.5 | | |
| 70 | P | 75.3 | Confident | 70.9 | Confident | 53 Ų | 53 | 123.1 Ų | 123.1 | 34% | 0.344 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -53 | 145.1 | 177.8 | 24 | -36 | 0 | 0 | 0 | 109.7 | K68 Q74 Y75 | K68-P70 VanDerWaalsContact O-N 3.16Å; P70-Q74 HydrophobicContact CB-CB 4.5Å; P70-Y75 HydrophobicContact CB-CE2 4.28Å; P70-Y75 HydrophobicContact CG-CE2 3.76Å; P70-Y75 WeakPolarHBondContact CG-OH 3.01Å |
| 71 | T | 79.1 | Confident | 71.8 | Confident | 56 Ų | 56 | 123.7 Ų | 123.7 | 34% | 0.344 | 67% | 0.673 | S | S | . | * | P | Polyproline II helix | trans | -62.1 | 145.7 | -175.9 | 56.5 | 0 | 0 | 0 | 0 | 109.7 | E73 Q74 | T71-E73 PolarHBondContact O-N 3.26Å; T71-Q74 WeakPolarHBondContact OG1-CG 3.07Å; T71-Q74 PolarHBondContact O-N 2.72Å; T71-Q74 WeakPolarHBondContact O-CB 3.46Å |
| 72 | P | 73.7 | Confident | 72.8 | Confident | 102 Ų | 102 | 127.6 Ų | 127.6 | 66% | 0.662 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -55 | -29.2 | -179.5 | 20.5 | -32.1 | 0 | 0 | 0 | 112.4 | Q74 Y75 | P72-Q74 VanDerWaalsContact C-N 3.27Å; P72-Q74 PolarHBondContact O-N 2.85Å; P72-Y75 WeakPolarHBondContact O-CB 3.22Å; P72-Y75 PolarHBondContact O-N 2.84Å; P72-Y75 VanDerWaalsContact O-N 3.17Å |
| 73 | E | 78.8 | Confident | 73.9 | Confident | 144 Ų | 144 | 131.7 Ų | 131.7 | 67% | 0.673 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -63.7 | -27.6 | 175.8 | -61.8 | 165.7 | 149.6 | 0 | 0 | 113.6 | T71 Y75 L76 | T71-E73 PolarHBondContact O-N 3.26Å; E73-Y75 PolarHBondContact O-N 3.05Å; E73-L76 PolarHBondContact O-N 2.97Å |
| 74 | Q | 76.3 | Confident | 74.4 | Confident | 121 Ų | 121 | 131.6 Ų | 131.6 | 57% | 0.565 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -71 | -13.8 | 177.1 | -71 | 171.4 | -25.4 | 0 | 0 | 112.8 | P70 T71 P72 | P70-Q74 HydrophobicContact CB-CB 4.5Å; T71-Q74 WeakPolarHBondContact OG1-CG 3.07Å; T71-Q74 PolarHBondContact O-N 2.72Å; T71-Q74 WeakPolarHBondContact O-CB 3.46Å; P72-Q74 VanDerWaalsContact C-N 3.27Å; P72-Q74 PolarHBondContact O-N 2.85Å |
| 75 | Y | 70.2 | Confident | 75.2 | Confident | 164 Ų | 164 | 131.1 Ų | 131.1 | 64% | 0.643 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -94.3 | -3 | 172.9 | -59.9 | -76.4 | 0 | 0 | 0 | 113 | P70 P72 E73 | P70-Y75 HydrophobicContact CB-CE2 4.28Å; P70-Y75 HydrophobicContact CG-CE2 3.76Å; P70-Y75 WeakPolarHBondContact CG-OH 3.01Å; P72-Y75 WeakPolarHBondContact O-CB 3.22Å; P72-Y75 PolarHBondContact O-N 2.84Å; P72-Y75 VanDerWaalsContact O-N 3.17Å; E73-Y75 PolarHBondContact O-N 3.05Å |
| 76 | L | 72.5 | Confident | 75.7 | Confident | 127 Ų | 127 | 132.4 Ų | 132.4 | 67% | 0.665 | 71% | 0.706 | S | S | * | * | | | trans | -103.8 | 17.4 | -175.3 | -61 | 177.4 | 0 | 0 | 0 | 113 | E73 P78 | E73-L76 PolarHBondContact O-N 2.97Å; L76-P78 WeakPolarHBondContact O-CD 3.17Å |
| 77 | T | 77.6 | Confident | 76.5 | Confident | 109 Ų | 109 | 143.2 Ų | 143.2 | 67% | 0.669 | 72% | 0.723 | S | S | * | * | | | trans | -55.5 | 113 | 171.5 | 42.8 | 0 | 0 | 0 | 0 | 107.9 | L79 | T77-L79 PolarHBondContact O-N 2.87Š|
| 78 | P | 78.7 | Confident | 77.1 | Confident | 120 Ų | 120 | 143.6 Ų | 143.6 | 78% | 0.779 | 72% | 0.724 | S | S | * | * | | | trans | -62.6 | 113.3 | -173.4 | -22.3 | 33.8 | 0 | 0 | 0 | 107.9 | L76 Q80 | L76-P78 WeakPolarHBondContact O-CD 3.17Å; P78-Q80 PolarHBondContact O-N 3.15Å |
| 79 | L | 78.1 | Confident | 77.2 | Confident | 163 Ų | 163 | 142.2 Ų | 142.2 | 85% | 0.853 | 72% | 0.723 | S | S | * | * | | | trans | -58 | 112.3 | 165.1 | -75.7 | 171 | 0 | 0 | 0 | 105.4 | T77 Q81 | T77-L79 PolarHBondContact O-N 2.87Å; L79-Q81 PolarHBondContact O-N 3.38Å |
| 80 | Q | 82.2 | Confident | 77.4 | Confident | 191 Ų | 191 | 144.2 Ų | 144.2 | 89% | 0.893 | 73% | 0.725 | S | S | * | * | | | trans | -54.9 | 109.5 | 176.3 | -69.6 | 178 | -22.4 | 0 | 0 | 106.7 | P78 K82 | P78-Q80 PolarHBondContact O-N 3.15Å; Q80-K82 PolarHBondContact O-N 3.43Å |
| 81 | Q | 76.6 | Confident | 77.5 | Confident | 185 Ų | 185 | 149.5 Ų | 149.5 | 86% | 0.864 | 75% | 0.747 | S | S | * | * | | | trans | -67.3 | 95.4 | 172.1 | -71.4 | -176.8 | -35.2 | 0 | 0 | 105.5 | L79 E83 | L79-Q81 PolarHBondContact O-N 3.38Å; Q81-E83 VanDerWaalsContact C-N 3.34Å; Q81-E83 PolarHBondContact O-N 3.3Å |
| 82 | K | 80.4 | Confident | 77.4 | Confident | 183 Ų | 183 | 155.4 Ų | 155.4 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | | | trans | -61.4 | 107.1 | 164 | -178.8 | 176.4 | -179 | -179.5 | 0 | 104.8 | Q80 V84 | Q80-K82 PolarHBondContact O-N 3.43Å; K82-V84 WeakPolarHBondContact O-CG2 3.06Å; K82-V84 PolarHBondContact O-N 3.33Å |
| 83 | E | 80 | Confident | 77.7 | Confident | 176 Ų | 176 | 158.9 Ų | 158.9 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | | | trans | -53.2 | 111.5 | 173.5 | -64.2 | -179.8 | 168.3 | 0 | 0 | 107.6 | Q81 | Q81-E83 VanDerWaalsContact C-N 3.34Å; Q81-E83 PolarHBondContact O-N 3.3Å |
| 84 | V | 75.5 | Confident | 77.6 | Confident | 121 Ų | 121 | 160 Ų | 160 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | | | trans | -100.6 | 103.9 | 172.1 | -175.3 | 0 | 0 | 0 | 0 | 105.9 | K82 I86 | K82-V84 WeakPolarHBondContact O-CG2 3.06Å; K82-V84 PolarHBondContact O-N 3.33Å; V84-I86 PolarHBondContact O-N 3.4Å |
| 85 | C | 79.4 | Confident | 77.7 | Confident | 110 Ų | 110 | 163 Ų | 163 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | | | trans | -68.9 | 124.1 | 172.8 | -58.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 86 | I | 80.1 | Confident | 78.3 | Confident | 166 Ų | 166 | 162.9 Ų | 162.9 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | | | trans | -79 | 129.4 | 168.8 | -55.4 | 179.1 | 0 | 0 | 0 | 107.2 | V84 | V84-I86 PolarHBondContact O-N 3.4Š|
| 87 | R | 78.8 | Confident | 78.9 | Confident | 304 Ų | 304 | 166.2 Ų | 166.2 | 100% | 1.147 | 83% | 0.832 | S | S | * | * | | | trans | -94.9 | 0 | 174.9 | -68.7 | 179.4 | 69.9 | -166.5 | 2.7 | 110.8 | | |