| 1 | M | 44.8 | Very low | 43.6 | Very low | 242 Ų | 242 | 158.4 Ų | 158.4 | 100% | 1.192 | 85% | 0.847 | S | S | * | * | | | | 0 | 133.9 | 0 | -63.8 | 164.3 | 163.2 | 0 | 0 | 106 | | |
| 2 | Q | 45.9 | Very low | 43.4 | Very low | 196 Ų | 196 | 158.6 Ų | 158.6 | 92% | 0.916 | 85% | 0.845 | S | S | * | * | | | cis | -130.3 | 161 | 15.2 | -63.9 | 151.7 | -11.4 | 0 | 0 | 109.8 | | |
| 3 | K | 42.7 | Very low | 43 | Very low | 201 Ų | 201 | 163.2 Ų | 163.2 | 87% | 0.874 | 85% | 0.846 | S | S | * | * | | | trans | -106.7 | 129.7 | 172.8 | -63.4 | -177.5 | -179.3 | -177.6 | 0 | 108.2 | T5 | K3-T5 PolarHBondContact O-N 3.06Š|
| 4 | A | 48 | Very low | 42.6 | Very low | 108 Ų | 108 | 158.1 Ų | 158.1 | 89% | 0.893 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 119 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 5 | T | 49.6 | Very low | 42.1 | Very low | 136 Ų | 136 | 151.9 Ų | 151.9 | 83% | 0.834 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 125 | 179.2 | -36.2 | 0 | 0 | 0 | 0 | 109.8 | K3 | K3-T5 PolarHBondContact O-N 3.06Š|
| 6 | Y | 46.6 | Very low | 41.9 | Very low | 221 Ų | 221 | 156.7 Ų | 156.7 | 87% | 0.867 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -79 | 132.5 | 170.4 | -172.6 | -98.8 | 0 | 0 | 0 | 109.2 | | |
| 7 | Y | 47 | Very low | 42.7 | Very low | 207 Ų | 207 | 154.5 Ų | 154.5 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 126.3 | -179.9 | -122.5 | -100.3 | 0 | 0 | 0 | 110 | | |
| 8 | D | 40.1 | Very low | 42.3 | Very low | 129 Ų | 129 | 158.7 Ų | 158.7 | 69% | 0.69 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 128.5 | 166.3 | 179.1 | 41.5 | 0 | 0 | 0 | 109.4 | S10 | D8-S10 PolarHBondContact O-N 3.1Å; D8-S10 PolarHBondContact OD2-OG 3.42Å |
| 9 | S | 33.3 | Very low | 42.1 | Very low | 109 Ų | 109 | 160.2 Ų | 160.2 | 76% | 0.762 | 83% | 0.83 | S | S | * | * | | | trans | -102.3 | 67.5 | -176 | -72.6 | 0 | 0 | 0 | 0 | 111.1 | A11 | S9-A11 PolarHBondContact O-N 3.17Š|
| 10 | S | 39.7 | Very low | 41.8 | Very low | 90 Ų | 90 | 157.6 Ų | 157.6 | 63% | 0.629 | 83% | 0.826 | S | S | * | * | | | trans | -91.3 | 75.9 | 171.8 | 31.4 | 0 | 0 | 0 | 0 | 110.9 | D8 I12 | D8-S10 PolarHBondContact O-N 3.1Å; D8-S10 PolarHBondContact OD2-OG 3.42Å; S10-I12 PolarHBondContact O-N 3.5Å |
| 11 | A | 42.3 | Very low | 41.9 | Very low | 103 Ų | 103 | 154.6 Ų | 154.6 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | | | trans | -72.3 | 116.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S9 | S9-A11 PolarHBondContact O-N 3.17Š|
| 12 | I | 40.8 | Very low | 41.8 | Very low | 161 Ų | 161 | 151.1 Ų | 151.1 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | | | trans | -75.1 | 134.1 | 177 | -66.3 | 172.1 | 0 | 0 | 0 | 110.5 | S10 | S10-I12 PolarHBondContact O-N 3.5Š|
| 13 | Y | 38.4 | Very low | 41.4 | Very low | 218 Ų | 218 | 145 Ų | 145 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | | | trans | -144.9 | 139.2 | 145.9 | -157.4 | -99.7 | 0 | 0 | 0 | 111.5 | | |
| 14 | S | 37.5 | Very low | 41.3 | Very low | 92 Ų | 92 | 145.4 Ų | 145.4 | 64% | 0.643 | 80% | 0.802 | S | S | * | * | | | trans | -52.5 | 152.6 | 177.9 | -54.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 15 | G | 35.2 | Very low | 40.8 | Very low | 65 Ų | 65 | 143.1 Ų | 143.1 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | | | cis | 116.2 | 97.7 | 20.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 16 | Y | 39 | Very low | 40 | Very low | 229 Ų | 229 | 146.9 Ų | 146.9 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | | | trans | -137.4 | 140.1 | 172.6 | -88.2 | -82.6 | 0 | 0 | 0 | 109.6 | | |
| 17 | P | 54.6 | Low | 39.4 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | -87 | 155.6 | -168 | 34.2 | -35.8 | 0 | 0 | 0 | 113.9 | | |
| 18 | Y | 35.3 | Very low | 38.8 | Very low | 230 Ų | 230 | 137.4 Ų | 137.4 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | | | trans | -63.3 | 133.8 | 166.3 | -114.1 | -105.4 | 0 | 0 | 0 | 110.6 | | |
| 19 | Q | 39.3 | Very low | 38.6 | Very low | 188 Ų | 188 | 138.6 Ų | 138.6 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | | | trans | -92.9 | 111.6 | 174.3 | -167.9 | 156.4 | 1.6 | 0 | 0 | 110.4 | | |
| 20 | S | 35.5 | Very low | 38.7 | Very low | 107 Ų | 107 | 142 Ų | 142 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | | | trans | -69.9 | 144.7 | 178 | -48.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 21 | A | 44.2 | Very low | 38.6 | Very low | 96 Ų | 96 | 143.8 Ų | 143.8 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | | | trans | -70 | 135.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 22 | N | 43.2 | Very low | 38.4 | Very low | 168 Ų | 168 | 146.9 Ų | 146.9 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | | | trans | -145.8 | 139 | 157.1 | -102.2 | -26.1 | 0 | 0 | 0 | 107.7 | | |
| 23 | G | 37.6 | Very low | 37.9 | Very low | 67 Ų | 67 | 149.3 Ų | 149.3 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | | | trans | -105.7 | 167.9 | -166.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 24 | F | 40.8 | Very low | 38.3 | Very low | 210 Ų | 210 | 144.7 Ų | 144.7 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | | | trans | -132.3 | 127.4 | 153 | -71.4 | -91.9 | 0 | 0 | 0 | 103.5 | | |
| 25 | G | 36 | Very low | 38.2 | Very low | 61 Ų | 61 | 152.1 Ų | 152.1 | 63% | 0.629 | 80% | 0.803 | S | S | * | * | | | | 66.1 | 123.1 | 74.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 26 | Y | 32.6 | Very low | 38.1 | Very low | 214 Ų | 214 | 153.4 Ų | 153.4 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | | | cis | -169.9 | 174.9 | 20.8 | 32.8 | -111.4 | 0 | 0 | 0 | 106.8 | | |
| 27 | D | 35.3 | Very low | 37.9 | Very low | 157 Ų | 157 | 147.6 Ų | 147.6 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | | | cis | -147.1 | -144.5 | 9 | -156.7 | -102.3 | 0 | 0 | 0 | 111.3 | | |
| 28 | A | 34.1 | Very low | 37.2 | Very low | 72 Ų | 72 | 149.2 Ų | 149.2 | 60% | 0.595 | 80% | 0.797 | S | S | * | * | | | trans | -109.6 | 153.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 29 | N | 35.5 | Very low | 37.4 | Very low | 154 Ų | 154 | 144.9 Ų | 144.9 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | | | | -166.6 | 120 | 123.6 | -112.3 | -83.1 | 0 | 0 | 0 | 111.5 | | |
| 30 | Q | 35.6 | Very low | 37.5 | Very low | 180 Ų | 180 | 143.6 Ų | 143.6 | 84% | 0.841 | 79% | 0.788 | S | S | * | * | | | trans | -83.9 | 133.1 | 162.2 | -75 | -169.3 | 6.2 | 0 | 0 | 109 | | |
| 31 | V | 37.7 | Very low | 37.5 | Very low | 128 Ų | 128 | 143.9 Ų | 143.9 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | | | trans | -109.3 | 125.8 | 164.1 | 179.6 | 0 | 0 | 0 | 0 | 108.6 | Y33 | V31-Y33 HydrophobicContact CG1-CD2 4.23Š|
| 32 | Q | 38.4 | Very low | 37.1 | Very low | 169 Ų | 169 | 146.8 Ų | 146.8 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | | | trans | -112.4 | 117.3 | -170.8 | 171.3 | 179.6 | -6.2 | 0 | 0 | 109.9 | | |
| 33 | Y | 30.5 | Very low | 36.7 | Very low | 212 Ų | 212 | 150 Ų | 150 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | | | trans | -151.6 | 160.4 | 170.2 | -87.8 | -60.4 | 0 | 0 | 0 | 110.7 | V31 | V31-Y33 HydrophobicContact CG1-CD2 4.23Š|
| 34 | P | 47 | Very low | 37 | Very low | 121 Ų | 121 | 154.1 Ų | 154.1 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | | | trans | -122 | -178.3 | -132.3 | 28.7 | -6.7 | 0 | 0 | 0 | 114.9 | | |
| 35 | R | 34.1 | Very low | 36.9 | Very low | 248 Ų | 248 | 154.6 Ų | 154.6 | 94% | 0.936 | 79% | 0.785 | S | S | * | * | | | trans | -96.8 | 115.6 | -176.4 | 174.4 | -170 | 176.7 | 137.7 | 0.4 | 112.9 | | |
| 36 | A | 33.3 | Very low | 37.6 | Very low | 91 Ų | 91 | 157.6 Ų | 157.6 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | | | trans | -179.9 | 152.9 | 154.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 37 | S | 35.1 | Very low | 37.7 | Very low | 108 Ų | 108 | 151 Ų | 151 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | | | cis | -164.9 | 151.1 | -9.6 | 43.8 | 0 | 0 | 0 | 0 | 109 | | |
| 38 | H | 40.4 | Very low | 37.4 | Very low | 153 Ų | 153 | 150.1 Ų | 150.1 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | | | trans | 21.4 | 109.2 | 152.3 | -161.5 | -87.8 | 0 | 0 | 0 | 119.8 | E40 | H38-E40 IonicContact CE1-OE2 3.59Š|
| 39 | V | 40 | Very low | 37.6 | Very low | 139 Ų | 139 | 152 Ų | 152 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | | | trans | -138.1 | 132.3 | 149.4 | -83.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 40 | E | 40.3 | Very low | 37.6 | Very low | 161 Ų | 161 | 153 Ų | 153 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | | | trans | -71.2 | 144.2 | 175.4 | -74.9 | 157.8 | 81.7 | 0 | 0 | 111.5 | H38 | H38-E40 IonicContact CE1-OE2 3.59Š|
| 41 | S | 35 | Very low | 37.5 | Very low | 112 Ų | 112 | 153.5 Ų | 153.5 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | | | trans | -154.5 | 80.8 | 161.1 | -78.2 | 0 | 0 | 0 | 0 | 109.6 | Y43 | S41-Y43 PolarHBondContact O-N 2.76Š|
| 42 | E | 36.7 | Very low | 37.4 | Very low | 157 Ų | 157 | 152.6 Ų | 152.6 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | | | trans | -26.6 | 113.4 | 163.7 | -173 | 168.1 | -162.2 | 0 | 0 | 116.1 | H44 | E42-H44 WeakPolarHBondContact CG-ND1 3.45Å; E42-H44 PolarHBondContact O-N 3.04Å; E42-H44 VanDerWaalsContact O-N 3.17Å; E42-H44 IonicContact OE1-CE1 3.45Å; E42-H44 PolarHBondContact OE1-CE1 3.35Å; E42-H44 IonicContact OE1-ND1 3.64Å; E42-H44 PolarHBondContact OE1-ND1 3.35Å; E42-H44 VanDerWaalsContact OE1-ND1 3.1Å |
| 43 | Y | 35.3 | Very low | 38 | Very low | 237 Ų | 237 | 150.7 Ų | 150.7 | 93% | 0.929 | 80% | 0.804 | S | S | * | * | | | trans | -80.3 | 89 | 169.9 | -102 | -90.9 | 0 | 0 | 0 | 110.7 | S41 | S41-Y43 PolarHBondContact O-N 2.76Š|
| 44 | H | 42.3 | Very low | 38.3 | Very low | 152 Ų | 152 | 144.4 Ų | 144.4 | 70% | 0.704 | 80% | 0.804 | S | S | * | * | | | trans | -80.8 | 119.3 | 172.1 | -111.1 | 79.5 | 0 | 0 | 0 | 112.1 | E42 | E42-H44 WeakPolarHBondContact CG-ND1 3.45Å; E42-H44 PolarHBondContact O-N 3.04Å; E42-H44 VanDerWaalsContact O-N 3.17Å; E42-H44 IonicContact OE1-CE1 3.45Å; E42-H44 PolarHBondContact OE1-CE1 3.35Å; E42-H44 IonicContact OE1-ND1 3.64Å; E42-H44 PolarHBondContact OE1-ND1 3.35Å; E42-H44 VanDerWaalsContact OE1-ND1 3.1Å |
| 45 | R | 39.6 | Very low | 37.8 | Very low | 221 Ų | 221 | 142.7 Ų | 142.7 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | | | trans | -93.6 | 122.2 | 174.3 | 172.3 | -169.2 | -173.9 | 163 | 2.5 | 109.6 | A47 | R45-A47 PolarHBondContact O-N 3.13Š|
| 46 | P | 49.8 | Very low | 37.6 | Very low | 124 Ų | 124 | 134.3 Ų | 134.3 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | | | trans | -85.2 | 113.7 | 165.7 | 29.5 | -25.2 | 0 | 0 | 0 | 109.9 | | |
| 47 | A | 35 | Very low | 37.7 | Very low | 74 Ų | 74 | 135.5 Ų | 135.5 | 61% | 0.612 | 80% | 0.802 | S | S | * | * | | | trans | -83.5 | 138.6 | 157.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | R45 S49 | R45-A47 PolarHBondContact O-N 3.13Å; A47-S49 PolarHBondContact O-N 3.34Å |
| 48 | C | 30.3 | Very low | 37.7 | Very low | 139 Ų | 139 | 136.9 Ų | 136.9 | 94% | 0.939 | 81% | 0.806 | S | S | * | * | | | trans | -72.1 | 99.8 | 175.6 | -62.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 49 | S | 37.2 | Very low | 37.3 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 134.2 | 170.2 | -67.6 | 0 | 0 | 0 | 0 | 110.8 | A47 | A47-S49 PolarHBondContact O-N 3.34Š|
| 50 | L | 35.6 | Very low | 37.1 | Very low | 174 Ų | 174 | 135 Ų | 135 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 140.5 | 175.3 | -72.4 | 158.9 | 0 | 0 | 0 | 111.1 | | |
| 51 | Q | 34.2 | Very low | 36.9 | Very low | 192 Ų | 192 | 136.7 Ų | 136.7 | 90% | 0.897 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 125.1 | 176.4 | -169 | 163.3 | 13.1 | 0 | 0 | 110.5 | | |
| 52 | S | 35.5 | Very low | 37 | Very low | 108 Ų | 108 | 141 Ų | 141 | 76% | 0.755 | 82% | 0.82 | S | S | * | * | | | trans | -121.3 | 142.1 | 166.4 | -59.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 53 | P | 50.5 | Low | 37.8 | Very low | 129 Ų | 129 | 139.7 Ų | 139.7 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | | | trans | -89.1 | 134.4 | 162.2 | 7.4 | 11.3 | 0 | 0 | 0 | 110.6 | | |
| 54 | G | 37.3 | Very low | 37.6 | Very low | 81 Ų | 81 | 131.7 Ų | 131.7 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | | | trans | -87.8 | 169.7 | 158.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 55 | G | 35.9 | Very low | 37.3 | Very low | 85 Ų | 85 | 132.6 Ų | 132.6 | 88% | 0.876 | 82% | 0.82 | S | S | * | * | | | cis | 176.7 | -178.3 | -0.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 56 | G | 30.6 | Very low | 37.1 | Very low | 72 Ų | 72 | 129.3 Ų | 129.3 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | | | trans | 169.4 | 97.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 57 | S | 35.7 | Very low | 36.6 | Very low | 115 Ų | 115 | 129.7 Ų | 129.7 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | | | trans | 11.2 | 143.2 | 145.5 | 62.3 | 0 | 0 | 0 | 0 | 120.3 | | |
| 58 | V | 33.9 | Very low | 36.9 | Very low | 138 Ų | 138 | 130.5 Ų | 130.5 | 84% | 0.836 | 82% | 0.822 | S | S | * | * | | | cis | -159.8 | 164.1 | 28.9 | -148.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 59 | A | 33.1 | Very low | 37.1 | Very low | 90 Ų | 90 | 133 Ų | 133 | 74% | 0.744 | 82% | 0.82 | S | S | * | * | | | trans | 63.7 | 117.1 | 155.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 60 | L | 35.9 | Very low | 36.9 | Very low | 163 Ų | 163 | 130.9 Ų | 130.9 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | | | | 81.4 | 98.7 | 62.2 | -172.4 | 82.4 | 0 | 0 | 0 | 114.9 | | |
| 61 | Q | 34.6 | Very low | 36.9 | Very low | 195 Ų | 195 | 129 Ų | 129 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | | | trans | -171.8 | 174 | 132.3 | -104.8 | 174 | 29.8 | 0 | 0 | 113.8 | | |
| 62 | K | 37.4 | Very low | 37.1 | Very low | 202 Ų | 202 | 127.3 Ų | 127.3 | 88% | 0.878 | 81% | 0.813 | S | S | * | * | | | trans | -83.1 | 169.7 | -162 | -98.3 | -178.3 | 173.7 | 179.8 | 0 | 115.7 | | |
| 63 | P | 53.4 | Low | 37.3 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 84% | 0.844 | 82% | 0.823 | S | S | * | * | | | trans | -91.8 | 156.7 | 179.8 | 37.5 | -35.4 | 0 | 0 | 0 | 114.9 | | |
| 64 | G | 32.8 | Very low | 36.5 | Very low | 69 Ų | 69 | 132.1 Ų | 132.1 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | | | trans | -177.1 | 107.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 65 | E | 35.4 | Very low | 36.4 | Very low | 171 Ų | 171 | 135.4 Ų | 135.4 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | | | | 76.5 | 141.5 | 85.3 | -151.6 | -168.9 | 172.1 | 0 | 0 | 113.6 | | |
| 66 | M | 35.6 | Very low | 36.5 | Very low | 153 Ų | 153 | 140.7 Ų | 140.7 | 75% | 0.754 | 81% | 0.814 | S | S | * | * | | | trans | 92.3 | 138.4 | 159.2 | -42.5 | -177.2 | -146.2 | 0 | 0 | 120.5 | | |
| 67 | V | 38.5 | Very low | 36.7 | Very low | 132 Ų | 132 | 141.6 Ų | 141.6 | 80% | 0.8 | 81% | 0.814 | S | S | * | * | | | trans | 74 | 117.4 | 158.1 | -158.1 | 0 | 0 | 0 | 0 | 119.5 | | |
| 68 | A | 41.1 | Very low | 36.8 | Very low | 91 Ų | 91 | 140.8 Ų | 140.8 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | | | trans | -98.1 | 132.7 | 155.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 69 | E | 34.5 | Very low | 36.9 | Very low | 192 Ų | 192 | 144.1 Ų | 144.1 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | | | trans | -178.1 | 163.7 | 150.9 | -111.3 | 175.4 | 175 | 0 | 0 | 111.5 | | |
| 70 | G | 34.2 | Very low | 37 | Very low | 67 Ų | 67 | 144.3 Ų | 144.3 | 69% | 0.691 | 82% | 0.822 | S | S | * | * | | | trans | 91.6 | 87.9 | 156 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 71 | C | 34.5 | Very low | 36.9 | Very low | 134 Ų | 134 | 146.1 Ų | 146.1 | 91% | 0.905 | 82% | 0.823 | S | S | * | * | | | trans | -115.6 | 68.4 | 156.5 | 60.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 72 | D | 38.9 | Very low | 36.9 | Very low | 157 Ų | 157 | 143.1 Ų | 143.1 | 84% | 0.84 | 82% | 0.818 | S | S | * | * | | | trans | -95.3 | 122.3 | 173.1 | -74 | -58.2 | 0 | 0 | 0 | 111.8 | | |
| 73 | R | 39 | Very low | 36.9 | Very low | 256 Ų | 256 | 139.8 Ų | 139.8 | 97% | 0.966 | 81% | 0.809 | S | S | * | * | | | trans | -152.6 | 134.3 | 143.5 | -150.7 | 169.6 | -178.2 | 171.2 | 0.8 | 112.8 | | |
| 74 | A | 34.2 | Very low | 36.6 | Very low | 82 Ų | 82 | 139.3 Ų | 139.3 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | | | trans | -90.3 | 143.9 | -163.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 75 | I | 35.6 | Very low | 36.5 | Very low | 149 Ų | 149 | 142.6 Ų | 142.6 | 76% | 0.764 | 80% | 0.803 | S | S | * | * | | | | 50.7 | 121.7 | 120.3 | -56.6 | 177.3 | 0 | 0 | 0 | 120.4 | A77 | I75-A77 HydrophobicContact CG2-CB 4.24Š|
| 76 | Q | 37 | Very low | 36.4 | Very low | 197 Ų | 197 | 138.8 Ų | 138.8 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | | | | -149.5 | 110.9 | 125.3 | -93.2 | 171.4 | 34.2 | 0 | 0 | 106.1 | | |
| 77 | A | 35.3 | Very low | 36.2 | Very low | 90 Ų | 90 | 138.7 Ų | 138.7 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | | | | 89.2 | 91.2 | 56.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | I75 | I75-A77 HydrophobicContact CG2-CB 4.24Š|
| 78 | A | 37.3 | Very low | 36.5 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | | | trans | -159.3 | 88.3 | 158.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 79 | Q | 36.4 | Very low | 36.2 | Very low | 208 Ų | 208 | 144.8 Ų | 144.8 | 97% | 0.972 | 80% | 0.801 | S | S | * | * | | | trans | 57.3 | 140.6 | 146.4 | -60.7 | -176.8 | 1.5 | 0 | 0 | 122.2 | | |
| 80 | A | 35 | Very low | 36.5 | Very low | 94 Ų | 94 | 139.3 Ų | 139.3 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | | | trans | -106.9 | 162 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 81 | K | 35 | Very low | 37 | Very low | 201 Ų | 201 | 142.4 Ų | 142.4 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | | | trans | -158 | 111.3 | 135.5 | -109.5 | -176 | -177.6 | -172.6 | 0 | 113.2 | | |
| 82 | V | 33.4 | Very low | 37.5 | Very low | 132 Ų | 132 | 141.8 Ų | 141.8 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | | | trans | 60.2 | 110.8 | 139.4 | -174.1 | 0 | 0 | 0 | 0 | 119.6 | | |
| 83 | L | 37.7 | Very low | 37.8 | Very low | 133 Ų | 133 | 140.3 Ų | 140.3 | 70% | 0.696 | 79% | 0.788 | S | S | * | * | | | trans | -85.7 | 159.5 | 153.2 | -144.6 | 76.4 | 0 | 0 | 0 | 109.2 | E85 | L83-E85 HydrophobicContact CD2-CB 3.99Å; L83-E85 HydrophobicContact CG-CB 4.49Å |
| 84 | P | 46.5 | Very low | 38.1 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | | -132.3 | 143.3 | 80.3 | 15.5 | 6.8 | 0 | 0 | 0 | 112.4 | | |
| 85 | E | 30.7 | Very low | 38.7 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 65% | 0.65 | 79% | 0.788 | S | S | * | * | | | | 87.4 | 101.8 | 54.1 | -168.6 | 66.7 | 111.8 | 0 | 0 | 113 | L83 | L83-E85 HydrophobicContact CD2-CB 3.99Å; L83-E85 HydrophobicContact CG-CB 4.49Å |
| 86 | S | 34.1 | Very low | 39.5 | Very low | 90 Ų | 90 | 132.3 Ų | 132.3 | 63% | 0.629 | 78% | 0.784 | S | S | * | * | | | trans | 50.4 | 126.8 | 148.3 | -67.9 | 0 | 0 | 0 | 0 | 122.3 | | |
| 87 | N | 31.6 | Very low | 40.7 | Very low | 152 Ų | 152 | 128.9 Ų | 128.9 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | | | | -152.6 | 137.9 | 118.5 | -139.9 | -5.6 | 0 | 0 | 0 | 114 | | |
| 88 | H | 44.4 | Very low | 42 | Very low | 175 Ų | 175 | 130.2 Ų | 130.2 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | | | trans | -93.4 | 130.5 | 171 | -70.1 | -78.6 | 0 | 0 | 0 | 109.8 | | |
| 89 | Q | 34.9 | Very low | 43.2 | Very low | 175 Ų | 175 | 131.1 Ų | 131.1 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | -125.3 | 135.2 | 173.9 | -161.1 | 77.2 | 60.8 | 0 | 0 | 110.6 | | |
| 90 | A | 40.5 | Very low | 44.3 | Very low | 77 Ų | 77 | 126.7 Ų | 126.7 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 155.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 91 | P | 44.9 | Very low | 45 | Very low | 132 Ų | 132 | 128 Ų | 128 | 86% | 0.857 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 133.1 | 179.3 | 29.6 | -34.3 | 0 | 0 | 0 | 112.5 | | |
| 92 | V | 45.5 | Very low | 45.1 | Very low | 122 Ų | 122 | 124 Ų | 124 | 74% | 0.739 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 151.1 | 171.4 | -70.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 93 | P | 43.8 | Very low | 45.5 | Very low | 125 Ų | 125 | 126 Ų | 126 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 128 | 174.7 | 30.8 | -33.1 | 0 | 0 | 0 | 110.9 | | |
| 94 | V | 46.6 | Very low | 45.7 | Very low | 138 Ų | 138 | 124.7 Ų | 124.7 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -90 | 120.6 | 174.9 | 178.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 95 | S | 45.8 | Very low | 45.4 | Very low | 116 Ų | 116 | 125.3 Ų | 125.3 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 130.6 | 173.5 | -55.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 96 | G | 53.4 | Low | 45.7 | Very low | 66 Ų | 66 | 122.5 Ų | 122.5 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 159.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 97 | P | 62.1 | Low | 45.8 | Very low | 124 Ų | 124 | 121.2 Ų | 121.2 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 156.1 | 177.3 | 30.5 | -35.4 | 0 | 0 | 0 | 112.4 | | |
| 98 | P | 61.3 | Low | 46.1 | Very low | 119 Ų | 119 | 120.7 Ų | 120.7 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 155 | -178.1 | 30.3 | -35.9 | 0 | 0 | 0 | 113 | | |
| 99 | P | 64.1 | Low | 45.6 | Very low | 117 Ų | 117 | 116.8 Ų | 116.8 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -75 | 151.6 | 178.4 | 31.6 | -35.5 | 0 | 0 | 0 | 112.8 | | |
| 100 | P | 59.3 | Low | 45.8 | Very low | 115 Ų | 115 | 116.5 Ų | 116.5 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -72 | 157.5 | 172.9 | 31.4 | -35.4 | 0 | 0 | 0 | 112.2 | | |
| 101 | P | 49.2 | Very low | 45.4 | Very low | 122 Ų | 122 | 119.4 Ų | 119.4 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 137.3 | -174.5 | 28.2 | -35.1 | 0 | 0 | 0 | 113.4 | L103 | P101-L103 PolarHBondContact O-N 3.44Š|
| 102 | S | 38.2 | Very low | 45.1 | Very low | 116 Ų | 116 | 117.8 Ų | 117.8 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 117.4 | 174.6 | -57 | 0 | 0 | 0 | 0 | 111.7 | | |
| 103 | L | 40.3 | Very low | 44.8 | Very low | 173 Ų | 173 | 117 Ų | 117 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | | | trans | -89.2 | 108 | 165.9 | -73.2 | 172 | 0 | 0 | 0 | 110.1 | P101 | P101-L103 PolarHBondContact O-N 3.44Š|
| 104 | S | 41.7 | Very low | 44.4 | Very low | 107 Ų | 107 | 119 Ų | 119 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | | | trans | -70 | 137 | 170.7 | -56.9 | 0 | 0 | 0 | 0 | 111 | G106 | S104-G106 PolarHBondContact O-N 3.42Š|
| 105 | P | 42 | Very low | 43.8 | Very low | 131 Ų | 131 | 115.2 Ų | 115.2 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | | | trans | -72 | 107.2 | 164.5 | -8 | 24.4 | 0 | 0 | 0 | 109 | | |
| 106 | G | 35.6 | Very low | 43.5 | Very low | 80 Ų | 80 | 115.8 Ų | 115.8 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | | | trans | -64.5 | 135.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | S104 | S104-G106 PolarHBondContact O-N 3.42Š|
| 107 | G | 35.8 | Very low | 42.5 | Very low | 64 Ų | 64 | 116.7 Ų | 116.7 | 66% | 0.66 | 79% | 0.787 | S | S | * | * | | | trans | -101.8 | 171 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 108 | V | 37.8 | Very low | 41.5 | Very low | 140 Ų | 140 | 119.7 Ų | 119.7 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | | | trans | 55.8 | 116.9 | 159.8 | -54.7 | 0 | 0 | 0 | 0 | 117.3 | | |
| 109 | S | 35.7 | Very low | 41.1 | Very low | 93 Ų | 93 | 119.7 Ų | 119.7 | 65% | 0.65 | 79% | 0.79 | S | S | * | * | | | | 165.6 | 162.1 | 88.5 | -76 | 0 | 0 | 0 | 0 | 107 | | |
| 110 | Q | 39.1 | Very low | 39.7 | Very low | 170 Ų | 170 | 117.9 Ų | 117.9 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | | | cis | -154.3 | 162.8 | -15 | -99.4 | 158.8 | 61.6 | 0 | 0 | 102.7 | | |
| 111 | D | 32 | Very low | 39 | Very low | 137 Ų | 137 | 117.6 Ų | 117.6 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | | | | -171.2 | 156.7 | 58.8 | -161.6 | -27.2 | 0 | 0 | 0 | 109 | | |
| 112 | A | 38.8 | Very low | 38.5 | Very low | 98 Ų | 98 | 116.3 Ų | 116.3 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | | | trans | -153.8 | 91.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 113 | S | 38.9 | Very low | 38.8 | Very low | 107 Ų | 107 | 120.2 Ų | 120.2 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | | | trans | -174.7 | 155.7 | 161.1 | 53.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 114 | N | 35.8 | Very low | 39 | Very low | 166 Ų | 166 | 117.7 Ų | 117.7 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | | | cis | -169 | 149.2 | -23.3 | 179.2 | 20.9 | 0 | 0 | 0 | 105.8 | | |
| 115 | G | 32.6 | Very low | 38.7 | Very low | 59 Ų | 59 | 116.1 Ų | 116.1 | 61% | 0.608 | 80% | 0.8 | S | S | * | * | | | trans | 156.5 | 91.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 116 | S | 39.5 | Very low | 39 | Very low | 128 Ų | 128 | 115.1 Ų | 115.1 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | | | trans | 40.6 | 119.9 | 138.2 | 59.3 | 0 | 0 | 0 | 0 | 121.9 | | |
| 117 | G | 33.1 | Very low | 39.5 | Very low | 84 Ų | 84 | 117 Ų | 117 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | | | trans | 166.9 | 87.9 | 158.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 118 | Q | 41.6 | Very low | 40 | Very low | 187 Ų | 187 | 119.9 Ų | 119.9 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | | | trans | -96.1 | 168.8 | 156.7 | -103.9 | -161.4 | 34.2 | 0 | 0 | 109.3 | | |
| 119 | P | 51.3 | Low | 40.4 | Very low | 119 Ų | 119 | 118.5 Ų | 118.5 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | | | cis | -128.4 | 174.6 | -2.6 | 33.8 | -14.9 | 0 | 0 | 0 | 114.2 | | |
| 120 | G | 35.4 | Very low | 40.7 | Very low | 79 Ų | 79 | 117.3 Ų | 117.3 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | | | trans | -167.5 | 101.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 121 | A | 44.9 | Very low | 41.8 | Very low | 109 Ų | 109 | 115.2 Ų | 115.2 | 90% | 0.901 | 80% | 0.796 | S | S | * | * | | | trans | -92.6 | 123.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 122 | A | 39.2 | Very low | 43 | Very low | 95 Ų | 95 | 119.2 Ų | 119.2 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | | | trans | -152.6 | 103.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 123 | K | 42.9 | Very low | 44.1 | Very low | 198 Ų | 198 | 121.6 Ų | 121.6 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | | | trans | 43.3 | 119 | 137.8 | -64.7 | -178 | 178 | 177.5 | 0 | 121.4 | | |
| 124 | S | 44.7 | Very low | 45.7 | Very low | 121 Ų | 121 | 125 Ų | 125 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | | | trans | 54 | 112.5 | 133.4 | 65.3 | 0 | 0 | 0 | 0 | 120.5 | | |
| 125 | G | 37 | Very low | 47.9 | Very low | 74 Ų | 74 | 124.1 Ų | 124.1 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | | | trans | -167.1 | 102.6 | 159.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P127 | G125-P127 WeakPolarHBondContact O-CD 3.42Š|
| 126 | S | 47 | Very low | 50.4 | Low | 109 Ų | 109 | 125.7 Ų | 125.7 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | | | trans | -72.2 | 123.4 | 169 | 178.4 | 0 | 0 | 0 | 0 | 109 | T128 | S126-T128 PolarHBondContact O-N 3.19Å; S126-T128 VanDerWaalsContact O-N 3.1Å |
| 127 | P | 45.6 | Very low | 52.5 | Low | 119 Ų | 119 | 125.2 Ų | 125.2 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | | | trans | -75.5 | 100.9 | 168.7 | 30.1 | -30.2 | 0 | 0 | 0 | 108.2 | G125 | G125-P127 WeakPolarHBondContact O-CD 3.42Š|
| 128 | T | 46.6 | Very low | 55 | Low | 126 Ų | 126 | 126 Ų | 126 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | | | trans | -55.3 | 139.1 | 172.4 | 46.2 | 0 | 0 | 0 | 0 | 110.8 | S126 G130 | S126-T128 PolarHBondContact O-N 3.19Å; S126-T128 VanDerWaalsContact O-N 3.1Å; T128-G130 PolarHBondContact O-N 3.23Å; T128-G130 VanDerWaalsContact O-N 3.08Å |
| 129 | S | 47.5 | Very low | 57.1 | Low | 111 Ų | 111 | 126.5 Ų | 126.5 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | | | trans | 1.9 | 90.4 | 171.2 | -173.4 | 0 | 0 | 0 | 0 | 115.4 | T131 | S129-T131 PolarHBondContact O-N 3.39Š|
| 130 | G | 41.9 | Very low | 58.8 | Low | 67 Ų | 67 | 124.2 Ų | 124.2 | 69% | 0.691 | 73% | 0.731 | S | S | * | * | | | trans | -58.9 | 100.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | T128 R132 | T128-G130 PolarHBondContact O-N 3.23Å; T128-G130 VanDerWaalsContact O-N 3.08Å; G130-R132 PolarHBondContact O-N 2.93Å |
| 131 | T | 61 | Low | 60.9 | Low | 126 Ų | 126 | 125.2 Ų | 125.2 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | | | trans | -57 | 101.5 | 173.7 | -46.1 | 0 | 0 | 0 | 0 | 107.7 | S129 N133 | S129-T131 PolarHBondContact O-N 3.39Å; T131-N133 PolarHBondContact O-N 3.12Å |
| 132 | R | 57.3 | Low | 62.1 | Low | 222 Ų | 222 | 127.3 Ų | 127.3 | 84% | 0.838 | 70% | 0.704 | S | S | * | * | | | trans | -55.1 | 110.7 | -173.2 | -52.6 | -178.3 | -143.6 | 167.6 | 6.3 | 108.1 | G130 K134 | G130-R132 PolarHBondContact O-N 2.93Å; R132-K134 PolarHBondContact O-N 3.04Å |
| 133 | N | 62.6 | Low | 63.2 | Low | 148 Ų | 148 | 126.9 Ų | 126.9 | 79% | 0.791 | 70% | 0.695 | S | S | * | * | | | trans | -66.4 | 82.4 | 177.6 | -98.6 | -32.4 | 0 | 0 | 0 | 108.7 | T131 Q135 | T131-N133 PolarHBondContact O-N 3.12Å; N133-Q135 PolarHBondContact O-N 2.69Å |
| 134 | K | 73.3 | Confident | 64 | Low | 179 Ų | 179 | 126 Ų | 126 | 78% | 0.778 | 69% | 0.687 | S | S | * | * | | | trans | -62.3 | 107.8 | 175.9 | -66.1 | -175.9 | -175.8 | -178.5 | 0 | 106.8 | R132 I136 | R132-K134 PolarHBondContact O-N 3.04Å; K134-I136 WeakPolarHBondContact O-CG1 3.41Å; K134-I136 PolarHBondContact O-N 3.04Å |
| 135 | Q | 80.3 | Confident | 64.6 | Low | 147 Ų | 147 | 126.2 Ų | 126.2 | 69% | 0.687 | 67% | 0.674 | S | S | * | * | | | trans | -56.2 | 109.3 | 178.8 | -67.2 | -62.9 | -41.1 | 0 | 0 | 109.1 | N133 F137 | N133-Q135 PolarHBondContact O-N 2.69Å; Q135-F137 WeakPolarHBondContact O-CD2 3.5Å; Q135-F137 PolarHBondContact O-N 2.82Å; Q135-F137 VanDerWaalsContact O-N 3.13Å |
| 136 | I | 84.9 | Confident | 65.3 | Low | 91 Ų | 91 | 128.6 Ų | 128.6 | 47% | 0.467 | 67% | 0.67 | S | S | . | * | | | trans | -81.5 | 96.8 | 179.6 | -54.7 | 175.9 | 0 | 0 | 0 | 107 | K134 M140 K141 | K134-I136 WeakPolarHBondContact O-CG1 3.41Å; K134-I136 PolarHBondContact O-N 3.04Å; I136-M140 HydrophobicContact CG2-CB 3.97Å; I136-M140 HydrophobicContact CG2-CG 4.18Å; I136-M140 HydrophobicContact CG2-SD 4.26Å; I136-K141 HydrophobicContact CG2-CG 3.67Å; I136-K141 WeakPolarHBondContact O-CE 3.33Å |
| 137 | F | 85.4 | Confident | 65.8 | Low | 119 Ų | 119 | 128.7 Ų | 128.7 | 52% | 0.522 | 67% | 0.665 | S | S | . | * | | | trans | -57.7 | 149.7 | 176.4 | -62.9 | -80 | 0 | 0 | 0 | 111.5 | Q135 W139 M140 | Q135-F137 WeakPolarHBondContact O-CD2 3.5Å; Q135-F137 PolarHBondContact O-N 2.82Å; Q135-F137 VanDerWaalsContact O-N 3.13Å; F137-W139 VanDerWaalsContact C-N 3.3Å; F137-W139 HydrophobicContact CB-CG 4.45Å; F137-W139 AromaticContact CG-NE1 3.98Å; F137-W139 PolarHBondContact O-N 3.23Å; F137-M140 WeakPolarHBondContact O-CB 3.34Å; F137-M140 PolarHBondContact O-N 3.26Å |
| 138 | P | 85.3 | Confident | 66.2 | Low | 101 Ų | 101 | 131.9 Ų | 131.9 | 66% | 0.656 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -51.1 | -43.5 | -176.1 | -30.3 | 36.4 | 0 | 0 | 0 | 114.4 | M140 K141 | P138-M140 PolarHBondContact O-N 2.9Å; P138-M140 VanDerWaalsContact O-N 3.09Å; P138-K141 WeakPolarHBondContact O-CB 3.44Å; P138-K141 PolarHBondContact O-N 3.34Å |
| 139 | W | 85.8 | Confident | 66.1 | Low | 197 Ų | 197 | 135.3 Ų | 135.3 | 75% | 0.746 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -60.1 | -21.8 | 177.8 | 68.7 | -98 | 0 | 0 | 0 | 114.3 | F137 | F137-W139 VanDerWaalsContact C-N 3.3Å; F137-W139 HydrophobicContact CB-CG 4.45Å; F137-W139 AromaticContact CG-NE1 3.98Å; F137-W139 PolarHBondContact O-N 3.23Å |
| 140 | M | 87 | Confident | 65.7 | Low | 70 Ų | 70 | 139.2 Ų | 139.2 | 35% | 0.345 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -87.7 | -13.3 | 178.5 | -165 | -178.6 | -66.6 | 0 | 0 | 112.7 | I136 F137 P138 | I136-M140 HydrophobicContact CG2-CB 3.97Å; I136-M140 HydrophobicContact CG2-CG 4.18Å; I136-M140 HydrophobicContact CG2-SD 4.26Å; F137-M140 WeakPolarHBondContact O-CB 3.34Å; F137-M140 PolarHBondContact O-N 3.26Å; P138-M140 PolarHBondContact O-N 2.9Å; P138-M140 VanDerWaalsContact O-N 3.09Å |
| 141 | K | 79.5 | Confident | 65.9 | Low | 100 Ų | 100 | 142 Ų | 142 | 44% | 0.435 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -81.3 | -39 | -179.3 | -62.7 | -174.9 | -179.4 | 177.9 | 0 | 112.6 | I136 P138 S143 R144 Q145 | I136-K141 HydrophobicContact CG2-CG 3.67Å; I136-K141 WeakPolarHBondContact O-CE 3.33Å; P138-K141 WeakPolarHBondContact O-CB 3.44Å; P138-K141 PolarHBondContact O-N 3.34Å; K141-S143 VanDerWaalsContact C-N 3.29Å; K141-S143 PolarHBondContact O-N 3.42Å; K141-R144 PolarHBondContact O-N 2.96Å; K141-Q145 PolarHBondContact O-N 3.38Å |
| 142 | E | 69.2 | Low | 64.6 | Low | 153 Ų | 153 | 141.6 Ų | 141.6 | 72% | 0.715 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -50.7 | -44.8 | -176.6 | -157.1 | 72.6 | -154 | 0 | 0 | 112.8 | R144 | E142-R144 PolarHBondContact O-N 3.12Å; E142-R144 VanDerWaalsContact O-N 3.14Å |
| 143 | S | 61.7 | Low | 63.8 | Low | 86 Ų | 86 | 136.6 Ų | 136.6 | 60% | 0.601 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -71.4 | -6.5 | -178.7 | -176.6 | 0 | 0 | 0 | 0 | 114.6 | K141 | K141-S143 VanDerWaalsContact C-N 3.29Å; K141-S143 PolarHBondContact O-N 3.42Å |
| 144 | R | 60.4 | Low | 62.6 | Low | 180 Ų | 180 | 135 Ų | 135 | 68% | 0.679 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -113.4 | -17.3 | -173.7 | -66.8 | -177 | 176.9 | -92.6 | 0.5 | 114.2 | K141 E142 N146 | K141-R144 PolarHBondContact O-N 2.96Å; E142-R144 PolarHBondContact O-N 3.12Å; E142-R144 VanDerWaalsContact O-N 3.14Å; R144-N146 PolarHBondContact O-N 2.92Å |
| 145 | Q | 56.6 | Low | 60.7 | Low | 125 Ų | 125 | 131.6 Ų | 131.6 | 58% | 0.584 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -77.4 | -19.9 | -170.2 | -74.9 | 164.3 | -34.9 | 0 | 0 | 114.5 | K141 T147 | K141-Q145 PolarHBondContact O-N 3.38Å; Q145-T147 PolarHBondContact O-N 2.89Å |
| 146 | N | 51.9 | Low | 58.5 | Low | 125 Ų | 125 | 129.7 Ų | 129.7 | 67% | 0.668 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -72.3 | 9.9 | -178 | -159.9 | 51.3 | 0 | 0 | 0 | 115.6 | R144 S173 | R144-N146 PolarHBondContact O-N 2.92Å; N146-S173 PolarHBondContact ND2-O 3.36Å |
| 147 | T | 58 | Low | 56.4 | Low | 110 Ų | 110 | 130.6 Ų | 130.6 | 68% | 0.675 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -106.4 | -8 | -173.6 | -162.3 | 0 | 0 | 0 | 0 | 115.3 | Q145 | Q145-T147 PolarHBondContact O-N 2.89Š|
| 148 | K | 53.5 | Low | 54.5 | Low | 186 Ų | 186 | 130.8 Ų | 130.8 | 81% | 0.809 | 71% | 0.712 | S | S | * | * | | | trans | -154.3 | 72 | -170.8 | -152.7 | 172.4 | -174.4 | 179.6 | 0 | 115.1 | | |
| 149 | Q | 44.3 | Very low | 52.3 | Low | 199 Ų | 199 | 134.3 Ų | 134.3 | 93% | 0.93 | 72% | 0.72 | S | S | * | * | | | trans | -134.6 | 100.5 | 152.1 | -70.1 | -166.3 | 10.9 | 0 | 0 | 109.8 | | |
| 150 | K | 39.2 | Very low | 50.2 | Low | 192 Ų | 192 | 130.4 Ų | 130.4 | 84% | 0.835 | 72% | 0.722 | S | S | * | * | | | trans | -131.2 | 122.7 | 156.1 | -169.1 | -177.5 | -176 | -173.6 | 0 | 105.6 | | |
| 151 | P | 47.4 | Very low | 47.9 | Very low | 127 Ų | 127 | 133.1 Ų | 133.1 | 83% | 0.825 | 75% | 0.747 | S | S | * | * | | | trans | -73.5 | 137.9 | 175.8 | 30.7 | -32.8 | 0 | 0 | 0 | 109.1 | | |
| 152 | S | 33.8 | Very low | 46.5 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | | | trans | -136.8 | 96.8 | 170 | 58.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 153 | S | 39.3 | Very low | 45.1 | Very low | 117 Ų | 117 | 131 Ų | 131 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | -64.1 | 144.4 | 159 | 31 | 0 | 0 | 0 | 0 | 109.9 | | |
| 154 | S | 37.4 | Very low | 44.7 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | -26.3 | 133.4 | 174.2 | 52.1 | 0 | 0 | 0 | 0 | 119.2 | | |
| 155 | S | 33.5 | Very low | 44.1 | Very low | 108 Ų | 108 | 135.3 Ų | 135.3 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | | | | -163.9 | 127.6 | 113.7 | 61.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 156 | S | 35.3 | Very low | 43.5 | Very low | 107 Ų | 107 | 134.5 Ų | 134.5 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | | | trans | 29.2 | 121.8 | 141.3 | 63.4 | 0 | 0 | 0 | 0 | 123.7 | | |
| 157 | S | 40.6 | Very low | 43.5 | Very low | 109 Ų | 109 | 134 Ų | 134 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | | | | 81.3 | 142.4 | 124.6 | -113.7 | 0 | 0 | 0 | 0 | 124.7 | | |
| 158 | V | 44.4 | Very low | 43.2 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 75% | 0.745 | 81% | 0.809 | S | S | * | * | | | trans | 69.9 | 140.9 | 156.3 | -54.9 | 0 | 0 | 0 | 0 | 123.3 | | |
| 159 | E | 38.7 | Very low | 42.7 | Very low | 176 Ų | 176 | 129.3 Ų | 129.3 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | | | trans | 75.4 | 119 | 155.8 | -108.6 | 67.1 | 140.1 | 0 | 0 | 124.5 | | |
| 160 | S | 43.1 | Very low | 43.1 | Very low | 114 Ų | 114 | 124.9 Ų | 124.9 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | | | trans | -85.7 | 141.7 | 176.5 | -58.7 | 0 | 0 | 0 | 0 | 112 | | |
| 161 | C | 37.3 | Very low | 43.8 | Very low | 127 Ų | 127 | 120 Ų | 120 | 86% | 0.858 | 79% | 0.791 | S | S | * | * | | | trans | -144 | 129.5 | 157.3 | -89.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 162 | P | 49.9 | Very low | 44 | Very low | 137 Ų | 137 | 118.2 Ų | 118.2 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | | | trans | -85.8 | 132.1 | 175 | 33.4 | -31.3 | 0 | 0 | 0 | 111 | | |
| 163 | G | 40.5 | Very low | 45 | Very low | 72 Ų | 72 | 116.2 Ų | 116.2 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | | | trans | -173.8 | 89.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | K165 | G163-K165 PolarHBondContact O-N 3.47Š|
| 164 | D | 54.2 | Low | 46.4 | Very low | 159 Ų | 159 | 117.9 Ų | 117.9 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | | | trans | -59.5 | 102.1 | 178.2 | -76.8 | -85.3 | 0 | 0 | 0 | 113.9 | | |
| 165 | K | 48 | Very low | 48.4 | Very low | 198 Ų | 198 | 124.1 Ų | 124.1 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | | | trans | -146.4 | 102.3 | 140.3 | -70.7 | -160.6 | 178 | 173.5 | 0 | 110.8 | G163 | G163-K165 PolarHBondContact O-N 3.47Š|
| 166 | S | 43.6 | Very low | 50.9 | Low | 108 Ų | 108 | 123 Ų | 123 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 130.1 | 171.8 | -51.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 167 | P | 51.7 | Low | 53.6 | Low | 115 Ų | 115 | 129.7 Ų | 129.7 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 134.9 | 164 | -14.2 | 28.4 | 0 | 0 | 0 | 109 | G169 | P167-G169 PolarHBondContact O-N 3.49Š|
| 168 | P | 50.9 | Low | 56.1 | Low | 127 Ų | 127 | 130.2 Ų | 130.2 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 137 | 176.9 | 24.5 | -33 | 0 | 0 | 0 | 110.4 | S170 | P168-S170 PolarHBondContact O-N 2.87Š|
| 169 | G | 43.8 | Very low | 58.6 | Low | 70 Ų | 70 | 128.4 Ų | 128.4 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 134.1 | -164.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | P167 A171 | P167-G169 PolarHBondContact O-N 3.49Å; G169-A171 PolarHBondContact O-N 3.27Å |
| 170 | S | 51.8 | Low | 61.4 | Low | 106 Ų | 106 | 123.1 Ų | 123.1 | 74% | 0.741 | 75% | 0.747 | S | S | * | * | | | trans | -73.6 | 51.1 | -179.7 | -154.2 | 0 | 0 | 0 | 0 | 113.2 | P168 A172 | P168-S170 PolarHBondContact O-N 2.87Å; S170-A172 VanDerWaalsContact C-N 3.26Å; S170-A172 PolarHBondContact O-N 2.86Å |
| 171 | A | 55 | Low | 64.1 | Low | 88 Ų | 88 | 121.4 Ų | 121.4 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -6.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G169 S173 | G169-A171 PolarHBondContact O-N 3.27Å; A171-S173 VanDerWaalsContact C-N 3.34Å; A171-S173 PolarHBondContact O-N 3.49Å |
| 172 | A | 50.9 | Low | 67 | Low | 91 Ų | 91 | 119.9 Ų | 119.9 | 75% | 0.752 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -2.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | S170 K174 | S170-A172 VanDerWaalsContact C-N 3.26Å; S170-A172 PolarHBondContact O-N 2.86Å; A172-K174 PolarHBondContact O-N 3.42Å |
| 173 | S | 54.3 | Low | 69.3 | Low | 74 Ų | 74 | 116.5 Ų | 116.5 | 52% | 0.517 | 71% | 0.707 | S | S | . | * | | | trans | -77 | 47.7 | 176.3 | -159.5 | 0 | 0 | 0 | 0 | 113.4 | N146 A171 | N146-S173 PolarHBondContact ND2-O 3.36Å; A171-S173 VanDerWaalsContact C-N 3.34Å; A171-S173 PolarHBondContact O-N 3.49Å |
| 174 | K | 69 | Low | 72 | Confident | 151 Ų | 151 | 114.5 Ų | 114.5 | 66% | 0.657 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -116.5 | 116.6 | 160.2 | -69.2 | -179.5 | -179.1 | 177.9 | 0 | 105.6 | A172 A176 | A172-K174 PolarHBondContact O-N 3.42Å; K174-A176 PolarHBondContact O-N 3.45Å |
| 175 | R | 79.4 | Confident | 74.1 | Confident | 247 Ų | 247 | 110.2 Ų | 110.2 | 93% | 0.932 | 66% | 0.655 | S | S | * | * | | | trans | -45.1 | 112.8 | -179.3 | -175.8 | 179.5 | -176.6 | -177.3 | 4 | 109.6 | R177 | R175-R177 PolarHBondContact O-N 2.74Š|
| 176 | A | 86.9 | Confident | 76.6 | Confident | 85 Ų | 85 | 104.9 Ų | 104.9 | 70% | 0.702 | 64% | 0.639 | S | S | * | * | | | trans | -56.6 | 137 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110 | K174 T178 | K174-A176 PolarHBondContact O-N 3.45Å; A176-T178 PolarHBondContact O-N 2.9Å |
| 177 | R | 91.6 | Very high | 79.2 | Confident | 246 Ų | 246 | 102.8 Ų | 102.8 | 93% | 0.928 | 62% | 0.617 | S | S | * | * | | | trans | -76.9 | 112.3 | 177 | -69.1 | -174 | 176.7 | -147.9 | 0.1 | 108.6 | R175 A179 | R175-R177 PolarHBondContact O-N 2.74Å; R177-A179 PolarHBondContact O-N 3.05Å |
| 178 | T | 93.5 | Very high | 81.4 | Confident | 121 Ų | 121 | 97.3 Ų | 97.3 | 74% | 0.742 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 125.6 | 169 | -43.4 | 0 | 0 | 0 | 0 | 109.3 | A176 | A176-T178 PolarHBondContact O-N 2.9Š|
| 179 | A | 96.2 | Very high | 83.7 | Confident | 84 Ų | 84 | 94.8 Ų | 94.8 | 69% | 0.694 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -85 | 151.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | R177 | R177-A179 PolarHBondContact O-N 3.05Š|
| 180 | Y | 98.3 | Very high | 86.3 | Confident | 65 Ų | 65 | 97 Ų | 97 | 26% | 0.255 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -85.4 | 147.6 | 168.6 | -57.9 | -56.6 | 0 | 0 | 0 | 109.8 | L185 L212 Q216 W220 | Y180-L185 HydrophobicContact CD2-CD2 4.18Å; Y180-L212 HydrophobicContact CD1-CD1 3.92Å; Y180-L212 HydrophobicContact CD1-CD2 3.82Å; Y180-L212 HydrophobicContact CE1-CD1 3.87Å; Y180-L212 HydrophobicContact CE1-CD2 3.71Å; Y180-L212 HydrophobicContact CE1-CG 4.46Å; Y180-Q216 HydrophobicContact CE1-CB 4.38Å; Y180-Q216 HydrophobicContact CE1-CG 4.47Å; Y180-Q216 WeakPolarHBondContact OH-CB 3.39Å; Y180-W220 AromaticContact CD2-CD1 3.92Å; Y180-W220 AromaticContact CE2-CD1 3.72Å |
| 181 | T | 98.6 | Very high | 88.5 | Confident | 78 Ų | 78 | 92.3 Ų | 92.3 | 48% | 0.479 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 160.4 | 175.4 | 72.4 | 0 | 0 | 0 | 0 | 110.9 | A183 Q184 L185 | T181-A183 VanDerWaalsContact C-N 3.31Å; T181-A183 PolarHBondContact O-N 2.72Å; T181-Q184 PolarHBondContact O-N 3.14Å; T181-Q184 WeakPolarHBondContact OG1-CG 3.32Å; T181-Q184 PolarHBondContact OG1-N 2.96Å; T181-L185 WeakPolarHBondContact O-CG 3.36Å; T181-L185 PolarHBondContact O-N 3.38Å |
| 182 | S | 98.4 | Very high | 90.6 | Very high | 95 Ų | 95 | 88.2 Ų | 88.2 | 66% | 0.664 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -56.7 | -45.1 | 175.6 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | Q184 L185 V186 | S182-Q184 PolarHBondContact O-N 2.71Å; S182-L185 WeakPolarHBondContact O-CB 3.49Å; S182-L185 PolarHBondContact O-N 3.29Å; S182-L185 VanDerWaalsContact O-N 3.12Å; S182-V186 WeakPolarHBondContact O-CG2 3.32Å; S182-V186 PolarHBondContact O-N 3.3Å |
| 183 | A | 98.2 | Very high | 92.9 | Very high | 67 Ų | 67 | 89 Ų | 89 | 55% | 0.554 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -60.1 | -42.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T181 L185 V186 E187 | T181-A183 VanDerWaalsContact C-N 3.31Å; T181-A183 PolarHBondContact O-N 2.72Å; A183-L185 VanDerWaalsContact C-N 3.32Å; A183-L185 PolarHBondContact O-N 2.73Å; A183-V186 PolarHBondContact O-N 3.04Å; A183-E187 PolarHBondContact O-N 3.39Å; A183-E187 VanDerWaalsContact O-N 3.13Å |
| 184 | Q | 98.6 | Very high | 95 | Very high | 30 Ų | 30 | 93.5 Ų | 93.5 | 14% | 0.14 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -60.2 | -42.3 | 174.1 | -75.1 | 172.5 | -24.8 | 0 | 0 | 111.6 | T181 S182 L188 L210 | T181-Q184 PolarHBondContact O-N 3.14Å; T181-Q184 WeakPolarHBondContact OG1-CG 3.32Å; T181-Q184 PolarHBondContact OG1-N 2.96Å; S182-Q184 PolarHBondContact O-N 2.71Å; Q184-L188 WeakPolarHBondContact O-CB 3.32Å; Q184-L188 WeakPolarHBondContact O-CD1 3.3Å; Q184-L188 WeakPolarHBondContact O-CG 3.32Å; Q184-L188 PolarHBondContact O-N 3.45Å; Q184-L210 HydrophobicContact CG-CB 4.34Å; Q184-L210 PolarHBondContact NE2-O 3.2Å |
| 185 | L | 98.5 | Very high | 96.3 | Very high | 69 Ų | 69 | 89.6 Ų | 89.6 | 36% | 0.361 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66 | -42.2 | 178.1 | -67 | 174.2 | 0 | 0 | 0 | 112 | Y180 T181 S182 A183 L188 E189 | Y180-L185 HydrophobicContact CD2-CD2 4.18Å; T181-L185 WeakPolarHBondContact O-CG 3.36Å; T181-L185 PolarHBondContact O-N 3.38Å; S182-L185 WeakPolarHBondContact O-CB 3.49Å; S182-L185 PolarHBondContact O-N 3.29Å; S182-L185 VanDerWaalsContact O-N 3.12Å; A183-L185 VanDerWaalsContact C-N 3.32Å; A183-L185 PolarHBondContact O-N 2.73Å; L185-L188 PolarHBondContact O-N 3.07Å; L185-E189 WeakPolarHBondContact O-CB 3.34Å; L185-E189 WeakPolarHBondContact O-CG 3.49Å; L185-E189 PolarHBondContact O-N 2.77Å |
| 186 | V | 98.6 | Very high | 97.2 | Very high | 85 Ų | 85 | 81.4 Ų | 81.4 | 52% | 0.515 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.3 | -49.3 | 178.6 | 170 | 0 | 0 | 0 | 0 | 111.5 | S182 A183 E189 K190 | S182-V186 WeakPolarHBondContact O-CG2 3.32Å; S182-V186 PolarHBondContact O-N 3.3Å; A183-V186 PolarHBondContact O-N 3.04Å; V186-E189 PolarHBondContact O-N 2.84Å; V186-K190 VanDerWaalsContact O-CB 3.3Å; V186-K190 WeakPolarHBondContact O-CB 3.32Å; V186-K190 PolarHBondContact O-N 3.12Å |
| 187 | E | 98.6 | Very high | 97.8 | Very high | 64 Ų | 64 | 84.5 Ų | 84.5 | 30% | 0.299 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.3 | -36.9 | 178.5 | -73 | -64.3 | 131.5 | 0 | 0 | 112.2 | A183 E189 K190 E191 L210 | A183-E187 PolarHBondContact O-N 3.39Å; A183-E187 VanDerWaalsContact O-N 3.13Å; E187-E189 PolarHBondContact O-N 2.92Å; E187-K190 PolarHBondContact O-N 2.77Å; E187-K190 WeakPolarHBondContact OE1-CD 3.14Å; E187-K190 IonicContact OE1-NZ 3.3Å; E187-K190 PolarHBondContact OE1-NZ 2.93Å; E187-K190 WeakPolarHBondContact OE2-CD 3.49Å; E187-K190 IonicContact OE2-NZ 3.06Å; E187-K190 PolarHBondContact OE2-NZ 3.49Å; E187-E191 VanDerWaalsContact O-CB 3.32Å; E187-E191 WeakPolarHBondContact O-CB 3.34Å; E187-E191 PolarHBondContact O-N 3.14Å; E187-L210 HydrophobicContact CB-CD1 4.35Å; E187-L210 HydrophobicContact CB-CD2 3.67Å; E187-L210 HydrophobicContact CG-CD2 4.15Å |
| 188 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.9 | -37.7 | 172.8 | -73.9 | 166.7 | 0 | 0 | 0 | 112.7 | Q184 L185 F192 L210 L212 I217 W220 F221 | Q184-L188 WeakPolarHBondContact O-CB 3.32Å; Q184-L188 WeakPolarHBondContact O-CD1 3.3Å; Q184-L188 WeakPolarHBondContact O-CG 3.32Å; Q184-L188 PolarHBondContact O-N 3.45Å; L185-L188 PolarHBondContact O-N 3.07Å; L188-F192 WeakPolarHBondContact O-CB 3.45Å; L188-F192 PolarHBondContact O-N 2.76Å; L188-L210 HydrophobicContact CD1-CD1 4.35Å; L188-L210 HydrophobicContact CD2-CD1 3.79Å; L188-L210 HydrophobicContact CG-CD1 3.63Å; L188-L212 HydrophobicContact CD1-CD1 4.23Å; L188-I217 HydrophobicContact CD2-CD1 3.82Å; L188-W220 VanDerWaalsContact C-CH2 3.49Å; L188-W220 HydrophobicContact CB-CD2 3.99Å; L188-W220 HydrophobicContact CB-CE3 4.01Å; L188-W220 HydrophobicContact CB-CH2 3.68Å; L188-W220 HydrophobicContact CB-CZ2 3.63Å; L188-W220 HydrophobicContact CB-CZ3 3.87Å; L188-W220 HydrophobicContact CD1-CD2 3.94Å; L188-W220 HydrophobicContact CD1-CG 3.9Å; L188-W220 HydrophobicContact CD2-CD2 4.33Å; L188-W220 HydrophobicContact CD2-CE3 4.22Å; L188-W220 HydrophobicContact CG-CD2 4.31Å; L188-W220 WeakPolarHBondContact O-CH2 3.37Å; L188-W220 WeakPolarHBondContact O-CZ3 3.47Å; L188-F221 HydrophobicContact CD2-CE2 3.99Å |
| 189 | E | 98.6 | Very high | 98.3 | Very high | 74 Ų | 74 | 71.5 Ų | 71.5 | 35% | 0.346 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -71.7 | -45.4 | 175.6 | -69.4 | -148.2 | 133 | 0 | 0 | 111.9 | L185 V186 E187 E191 F192 H193 W220 R224 | L185-E189 WeakPolarHBondContact O-CB 3.34Å; L185-E189 WeakPolarHBondContact O-CG 3.49Å; L185-E189 PolarHBondContact O-N 2.77Å; V186-E189 PolarHBondContact O-N 2.84Å; E187-E189 PolarHBondContact O-N 2.92Å; E189-E191 PolarHBondContact O-N 3.3Å; E189-F192 CarbonylContact O-C 3.58Å; E189-F192 WeakPolarHBondContact O-CA 3.07Å; E189-F192 WeakPolarHBondContact O-CB 3.42Å; E189-F192 PolarHBondContact O-N 3.06Å; E189-F192 VanDerWaalsContact O-N 3.14Å; E189-H193 PolarHBondContact O-CD2 2.83Å; E189-H193 PolarHBondContact O-N 2.89Å; E189-W220 HydrophobicContact CG-CH2 3.88Å; E189-W220 HydrophobicContact CG-CZ2 3.88Å; E189-R224 IonicContact OE1-CZ 3.23Å; E189-R224 VanDerWaalsContact OE1-CZ 3.23Å; E189-R224 IonicContact OE1-NE 2.92Å; E189-R224 PolarHBondContact OE1-NE 3.42Å; E189-R224 IonicContact OE1-NH2 2.77Å; E189-R224 PolarHBondContact OE1-NH2 3.1Å |
| 190 | K | 98.6 | Very high | 98.4 | Very high | 116 Ų | 116 | 74 Ų | 74 | 50% | 0.504 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -53.3 | -50.5 | 172.8 | 170.7 | -173.8 | 167 | -158.6 | 0 | 111.6 | V186 E187 F192 H193 F194 | V186-K190 VanDerWaalsContact O-CB 3.3Å; V186-K190 WeakPolarHBondContact O-CB 3.32Å; V186-K190 PolarHBondContact O-N 3.12Å; E187-K190 PolarHBondContact O-N 2.77Å; E187-K190 WeakPolarHBondContact OE1-CD 3.14Å; E187-K190 IonicContact OE1-NZ 3.3Å; E187-K190 PolarHBondContact OE1-NZ 2.93Å; E187-K190 WeakPolarHBondContact OE2-CD 3.49Å; E187-K190 IonicContact OE2-NZ 3.06Å; E187-K190 PolarHBondContact OE2-NZ 3.49Å; K190-F192 VanDerWaalsContact C-N 3.35Å; K190-F192 PolarHBondContact O-N 3.42Å; K190-H193 PolarHBondContact O-N 2.94Å; K190-H193 VanDerWaalsContact O-N 3.12Å; K190-F194 PolarHBondContact O-N 3.46Å |
| 191 | E | 98.6 | Very high | 98.4 | Very high | 9 Ų | 9 | 74.9 Ų | 74.9 | 4% | 0.042 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.9 | -38.4 | 177.2 | -168.4 | 66.7 | -162.1 | 0 | 0 | 111.6 | E187 E189 H193 F194 N195 L198 R202 M206 F221 | E187-E191 VanDerWaalsContact O-CB 3.32Å; E187-E191 WeakPolarHBondContact O-CB 3.34Å; E187-E191 PolarHBondContact O-N 3.14Å; E189-E191 PolarHBondContact O-N 3.3Å; E191-H193 VanDerWaalsContact C-N 3.29Å; E191-H193 PolarHBondContact O-N 3.42Å; E191-F194 PolarHBondContact O-N 3.49Å; E191-N195 PolarHBondContact O-N 3.41Å; E191-L198 HydrophobicContact CG-CD2 3.96Å; E191-R202 VanDerWaalsContact CD-NH2 3.32Å; E191-R202 IonicContact OE1-CZ 3.1Å; E191-R202 IonicContact OE1-NE 2.74Å; E191-R202 PolarHBondContact OE1-NE 3.06Å; E191-R202 IonicContact OE1-NH2 2.69Å; E191-R202 PolarHBondContact OE1-NH2 3.03Å; E191-R202 IonicContact OE2-CZ 2.72Å; E191-R202 IonicContact OE2-NE 3.76Å; E191-R202 IonicContact OE2-NH2 2.73Å; E191-R202 PolarHBondContact OE2-NH2 3.45Å; E191-M206 HydrophobicContact CB-SD 3.87Å; E191-M206 HydrophobicContact CG-CG 4.06Å; E191-M206 HydrophobicContact CG-SD 3.65Å; E191-F221 HydrophobicContact CB-CZ 4.32Å; E191-F221 HydrophobicContact CG-CZ 4.19Å |
| 192 | F | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 74.7 Ų | 74.7 | 0% | 0.004 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.9 | -32.3 | 172 | -179.5 | -101.1 | 0 | 0 | 0 | 112.6 | L188 E189 K190 N195 R196 W220 F221 R224 R225 Y228 | L188-F192 WeakPolarHBondContact O-CB 3.45Å; L188-F192 PolarHBondContact O-N 2.76Å; E189-F192 CarbonylContact O-C 3.58Å; E189-F192 WeakPolarHBondContact O-CA 3.07Å; E189-F192 WeakPolarHBondContact O-CB 3.42Å; E189-F192 PolarHBondContact O-N 3.06Å; E189-F192 VanDerWaalsContact O-N 3.14Å; K190-F192 VanDerWaalsContact C-N 3.35Å; K190-F192 PolarHBondContact O-N 3.42Å; F192-N195 CarbonylContact O-C 3.4Å; F192-R196 HydrophobicContact CE2-CB 3.93Å; F192-R196 HydrophobicContact CZ-CB 4.33Å; F192-R196 HydrophobicContact CZ-CG 4.49Å; F192-R196 WeakPolarHBondContact O-CD 3.13Å; F192-R196 PolarHBondContact O-NE 3.42Å; F192-W220 HydrophobicContact CB-CH2 4.21Å; F192-W220 HydrophobicContact CB-CZ3 3.96Å; F192-W220 HydrophobicContact CG-CZ3 4.42Å; F192-F221 HydrophobicContact CB-CE1 4.05Å; F192-F221 HydrophobicContact CB-CZ 4.15Å; F192-F221 AromaticContact CD2-CD1 3.96Å; F192-F221 HydrophobicContact CD2-CD1 3.96Å; F192-F221 AromaticContact CD2-CE1 3.86Å; F192-F221 HydrophobicContact CD2-CE1 3.86Å; F192-F221 HydrophobicContact CG-CE1 4.48Å; F192-R224 HydrophobicContact CB-CG 4.49Å; F192-R224 HydrophobicContact CD1-CG 3.67Å; F192-R224 HydrophobicContact CD2-CB 4.29Å; F192-R224 HydrophobicContact CD2-CG 3.88Å; F192-R224 HydrophobicContact CE1-CG 3.76Å; F192-R224 HydrophobicContact CE2-CB 4.31Å; F192-R224 HydrophobicContact CE2-CG 3.98Å; F192-R224 HydrophobicContact CG-CG 3.73Å; F192-R224 HydrophobicContact CZ-CG 3.92Å; F192-R225 HydrophobicContact CE2-CG 3.79Å; F192-R225 HydrophobicContact CZ-CG 4.37Å; F192-Y228 HydrophobicContact CE1-CD2 4.3Å; F192-Y228 HydrophobicContact CE1-CG 4.4Å; F192-Y228 HydrophobicContact CZ-CG 4.22Å |
| 193 | H | 98.3 | Very high | 98.4 | Very high | 109 Ų | 109 | 72.7 Ų | 72.7 | 51% | 0.505 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -69.3 | -41.4 | 175 | -83.9 | -77.8 | 0 | 0 | 0 | 111.4 | E189 K190 E191 R196 | E189-H193 PolarHBondContact O-CD2 2.83Å; E189-H193 PolarHBondContact O-N 2.89Å; K190-H193 PolarHBondContact O-N 2.94Å; K190-H193 VanDerWaalsContact O-N 3.12Å; E191-H193 VanDerWaalsContact C-N 3.29Å; E191-H193 PolarHBondContact O-N 3.42Å; H193-R196 PolarHBondContact O-NE 2.95Å |
| 194 | F | 98.3 | Very high | 98.5 | Very high | 167 Ų | 167 | 71.8 Ų | 71.8 | 73% | 0.732 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.9 | -50.8 | 174.9 | -179.6 | -108.6 | 0 | 0 | 0 | 112.5 | K190 E191 | K190-F194 PolarHBondContact O-N 3.46Å; E191-F194 PolarHBondContact O-N 3.49Å |
| 195 | N | 97.8 | Very high | 98.5 | Very high | 69 Ų | 69 | 74.4 Ų | 74.4 | 37% | 0.369 | 35% | 0.351 | S | S | . | . | | | trans | -144.3 | 127.7 | 177.2 | -173.9 | -8.9 | 0 | 0 | 0 | 111.9 | E191 F192 Y197 | E191-N195 PolarHBondContact O-N 3.41Å; F192-N195 CarbonylContact O-C 3.4Å; N195-Y197 VanDerWaalsContact CG-O 3.22Å; N195-Y197 PolarHBondContact ND2-O 3.46Å; N195-Y197 VanDerWaalsContact ND2-O 3.08Å; N195-Y197 PolarHBondContact O-N 3.1Å; N195-Y197 PolarHBondContact OD1-N 3.29Å; N195-Y197 PolarHBondContact OD1-O 2.84Å; N195-Y197 VanDerWaalsContact OD1-O 3.07Å |
| 196 | R | 98.1 | Very high | 98.5 | Very high | 75 Ų | 75 | 71.3 Ų | 71.3 | 28% | 0.283 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -76.3 | -11.7 | -174.4 | -44.8 | -40.4 | 174.8 | 101.3 | -8.6 | 112.3 | F192 H193 R225 | F192-R196 HydrophobicContact CE2-CB 3.93Å; F192-R196 HydrophobicContact CZ-CB 4.33Å; F192-R196 HydrophobicContact CZ-CG 4.49Å; F192-R196 WeakPolarHBondContact O-CD 3.13Å; F192-R196 PolarHBondContact O-NE 3.42Å; H193-R196 PolarHBondContact O-NE 2.95Å; R196-R225 WeakPolarHBondContact O-CD 3.22Å |
| 197 | Y | 98.4 | Very high | 98.5 | Very high | 150 Ų | 150 | 67.5 Ų | 67.5 | 59% | 0.588 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -139.7 | 117.2 | -174.8 | -64.1 | -108.4 | 0 | 0 | 0 | 110.9 | N195 | N195-Y197 VanDerWaalsContact CG-O 3.22Å; N195-Y197 PolarHBondContact ND2-O 3.46Å; N195-Y197 VanDerWaalsContact ND2-O 3.08Å; N195-Y197 PolarHBondContact O-N 3.1Å; N195-Y197 PolarHBondContact OD1-N 3.29Å; N195-Y197 PolarHBondContact OD1-O 2.84Å; N195-Y197 VanDerWaalsContact OD1-O 3.07Å |
| 198 | L | 98.4 | Very high | 98.5 | Very high | 20 Ų | 20 | 69.9 Ų | 69.9 | 11% | 0.105 | 33% | 0.327 | C | S | . | . | | | trans | -87.2 | 126 | 178.4 | -59.5 | -173.4 | 0 | 0 | 0 | 113.4 | E191 R202 R203 M206 I217 F221 | E191-L198 HydrophobicContact CG-CD2 3.96Å; L198-R202 HydrophobicContact CD2-CG 4.04Å; L198-R203 HydrophobicContact CB-CB 4.43Å; L198-R203 PolarHBondContact O-NH2 2.86Å; L198-M206 HydrophobicContact CD1-CG 4.17Å; L198-I217 HydrophobicContact CD1-CG2 3.69Å; L198-F221 HydrophobicContact CD1-CD1 4.48Å; L198-F221 HydrophobicContact CD1-CD2 3.93Å; L198-F221 HydrophobicContact CD1-CE1 4.11Å; L198-F221 HydrophobicContact CD1-CE2 3.53Å; L198-F221 HydrophobicContact CD1-CG 4.4Å; L198-F221 HydrophobicContact CD1-CZ 3.64Å; L198-F221 HydrophobicContact CD2-CE1 3.92Å; L198-F221 HydrophobicContact CD2-CZ 3.91Å; L198-F221 HydrophobicContact CG-CD1 3.97Å; L198-F221 HydrophobicContact CG-CD2 4.3Å; L198-F221 HydrophobicContact CG-CE1 3.63Å; L198-F221 HydrophobicContact CG-CE2 4.01Å; L198-F221 HydrophobicContact CG-CG 4.3Å; L198-F221 HydrophobicContact CG-CZ 3.67Å |
| 199 | C | 98.3 | Very high | 98.4 | Very high | 74 Ų | 74 | 75.6 Ų | 75.6 | 50% | 0.5 | 36% | 0.357 | S | S | . | . | | | trans | -63.7 | 170.8 | 164.1 | 65.2 | 0 | 0 | 0 | 0 | 111.6 | R202 R203 | C199-R202 VanDerWaalsContact SG-CB 3.57Å; C199-R203 WeakPolarHBondContact O-CB 3.19Å; C199-R203 PolarHBondContact O-N 3.35Å |
| 200 | R | 98.3 | Very high | 98.4 | Very high | 138 Ų | 138 | 72.9 Ų | 72.9 | 52% | 0.521 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.9 | -44.9 | -175.6 | -176 | 67.1 | 175.2 | 87.1 | -15.5 | 113.5 | E214 | R200-E214 VanDerWaalsContact CZ-CD 3.44Å; R200-E214 IonicContact CZ-OE1 3.08Å; R200-E214 IonicContact CZ-OE2 3.03Å; R200-E214 IonicContact NE-OE2 3.63Å; R200-E214 IonicContact NH1-OE1 2.75Å; R200-E214 PolarHBondContact NH1-OE1 3.25Å; R200-E214 IonicContact NH1-OE2 2.85Å; R200-E214 PolarHBondContact NH1-OE2 2.94Å; R200-E214 IonicContact NH2-OE1 2.74Å; R200-E214 PolarHBondContact NH2-OE1 3.07Å; R200-E214 IonicContact NH2-OE2 3.35Å; R200-E214 PolarHBondContact NH2-OE2 3.19Å |
| 201 | P | 98.4 | Very high | 98.4 | Very high | 82 Ų | 82 | 74.4 Ų | 74.4 | 53% | 0.532 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.2 | -51.9 | 179 | -22.8 | 35.1 | 0 | 0 | 0 | 112.7 | R203 V204 E205 | P201-R203 PolarHBondContact O-N 3.26Å; P201-V204 WeakPolarHBondContact O-CA 3.2Å; P201-V204 WeakPolarHBondContact O-CB 3.46Å; P201-V204 PolarHBondContact O-N 2.96Å; P201-E205 PolarHBondContact O-N 2.85Å |
| 202 | R | 98.5 | Very high | 98.4 | Very high | 74 Ų | 74 | 74.7 Ų | 74.7 | 28% | 0.279 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.6 | -28.9 | -179.3 | -170.7 | 56.2 | 174.3 | 173.2 | 1.5 | 113.4 | E191 L198 C199 E205 M206 | E191-R202 VanDerWaalsContact CD-NH2 3.32Å; E191-R202 IonicContact OE1-CZ 3.1Å; E191-R202 IonicContact OE1-NE 2.74Å; E191-R202 PolarHBondContact OE1-NE 3.06Å; E191-R202 IonicContact OE1-NH2 2.69Å; E191-R202 PolarHBondContact OE1-NH2 3.03Å; E191-R202 IonicContact OE2-CZ 2.72Å; E191-R202 IonicContact OE2-NE 3.76Å; E191-R202 IonicContact OE2-NH2 2.73Å; E191-R202 PolarHBondContact OE2-NH2 3.45Å; L198-R202 HydrophobicContact CD2-CG 4.04Å; C199-R202 VanDerWaalsContact SG-CB 3.57Å; R202-E205 WeakPolarHBondContact CD-OE2 3.21Å; R202-E205 IonicContact CZ-OE2 2.76Å; R202-E205 IonicContact NE-OE2 3.66Å; R202-E205 IonicContact NH1-OE2 3.61Å; R202-E205 PolarHBondContact NH1-OE2 3.28Å; R202-M206 WeakPolarHBondContact O-CB 3.48Å; R202-M206 VanDerWaalsContact O-CG 3.32Å; R202-M206 WeakPolarHBondContact O-CG 3.35Å; R202-M206 PolarHBondContact O-N 2.75Å |
| 203 | R | 98.8 | Very high | 98.4 | Very high | 54 Ų | 54 | 78.5 Ų | 78.5 | 20% | 0.204 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67.7 | -33.6 | 173.4 | -167.3 | -173.9 | -52.3 | 151.8 | 10.3 | 113.2 | L198 C199 P201 A207 E214 I217 | L198-R203 HydrophobicContact CB-CB 4.43Å; L198-R203 PolarHBondContact O-NH2 2.86Å; C199-R203 WeakPolarHBondContact O-CB 3.19Å; C199-R203 PolarHBondContact O-N 3.35Å; P201-R203 PolarHBondContact O-N 3.26Å; R203-A207 VanDerWaalsContact O-CB 3.22Å; R203-A207 WeakPolarHBondContact O-CB 3.38Å; R203-A207 PolarHBondContact O-N 3.18Å; R203-E214 HydrophobicContact CG-CB 4.38Å; R203-E214 HydrophobicContact CG-CG 4.36Å; R203-I217 HydrophobicContact CG-CB 4.09Å; R203-I217 HydrophobicContact CG-CG2 3.86Å |
| 204 | V | 98.8 | Very high | 98.4 | Very high | 48 Ų | 48 | 75.9 Ų | 75.9 | 29% | 0.291 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69.3 | -46.2 | 174 | -178.9 | 0 | 0 | 0 | 0 | 110 | P201 M206 A207 N208 | P201-V204 WeakPolarHBondContact O-CA 3.2Å; P201-V204 WeakPolarHBondContact O-CB 3.46Å; P201-V204 PolarHBondContact O-N 2.96Å; V204-M206 VanDerWaalsContact C-N 3.34Å; V204-M206 PolarHBondContact O-N 3.47Å; V204-A207 WeakPolarHBondContact O-CB 3.35Å; V204-A207 PolarHBondContact O-N 3.2Å; V204-A207 VanDerWaalsContact O-N 3.14Å; V204-N208 VanDerWaalsContact O-CG 3.26Å; V204-N208 PolarHBondContact O-N 3.5Å |
| 205 | E | 98.6 | Very high | 98.4 | Very high | 84 Ų | 84 | 76.5 Ų | 76.5 | 39% | 0.393 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -55.5 | -49.1 | 176.1 | -65.5 | 160.8 | -139.3 | 0 | 0 | 111.2 | P201 R202 N208 L209 | P201-E205 PolarHBondContact O-N 2.85Å; R202-E205 WeakPolarHBondContact CD-OE2 3.21Å; R202-E205 IonicContact CZ-OE2 2.76Å; R202-E205 IonicContact NE-OE2 3.66Å; R202-E205 IonicContact NH1-OE2 3.61Å; R202-E205 PolarHBondContact NH1-OE2 3.28Å; E205-N208 PolarHBondContact O-N 2.74Å; E205-L209 WeakPolarHBondContact O-CB 3.36Å; E205-L209 WeakPolarHBondContact O-CG 3.44Å; E205-L209 PolarHBondContact O-N 3.4Å |
| 206 | M | 98.6 | Very high | 98.4 | Very high | 4 Ų | 4 | 75.5 Ų | 75.5 | 2% | 0.02 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.6 | -35.1 | 176.2 | -71.1 | -70 | 101.7 | 0 | 0 | 113.8 | E191 L198 R202 V204 L209 L210 I217 | E191-M206 HydrophobicContact CB-SD 3.87Å; E191-M206 HydrophobicContact CG-CG 4.06Å; E191-M206 HydrophobicContact CG-SD 3.65Å; L198-M206 HydrophobicContact CD1-CG 4.17Å; R202-M206 WeakPolarHBondContact O-CB 3.48Å; R202-M206 VanDerWaalsContact O-CG 3.32Å; R202-M206 WeakPolarHBondContact O-CG 3.35Å; R202-M206 PolarHBondContact O-N 2.75Å; V204-M206 VanDerWaalsContact C-N 3.34Å; V204-M206 PolarHBondContact O-N 3.47Å; M206-L209 HydrophobicContact CE-CD1 3.62Å; M206-L210 WeakPolarHBondContact O-CB 3.4Å; M206-L210 WeakPolarHBondContact O-CG 3.24Å; M206-L210 PolarHBondContact O-N 2.79Å; M206-I217 HydrophobicContact CB-CD1 4.36Å; M206-I217 HydrophobicContact CB-CG2 4.39Å |
| 207 | A | 98.6 | Very high | 98.5 | Very high | 6 Ų | 6 | 72 Ų | 72 | 5% | 0.05 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.7 | -48 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | R203 V204 N211 L212 E214 I217 | R203-A207 VanDerWaalsContact O-CB 3.22Å; R203-A207 WeakPolarHBondContact O-CB 3.38Å; R203-A207 PolarHBondContact O-N 3.18Å; V204-A207 WeakPolarHBondContact O-CB 3.35Å; V204-A207 PolarHBondContact O-N 3.2Å; V204-A207 VanDerWaalsContact O-N 3.14Å; A207-N211 PolarHBondContact O-N 3.03Å; A207-N211 VanDerWaalsContact O-N 3.12Å; A207-L212 CarbonylContact C-O 3.54Å; A207-L212 WeakPolarHBondContact CA-O 3.48Å; A207-L212 WeakPolarHBondContact CB-O 3.47Å; A207-L212 PolarHBondContact O-N 3.01Å; A207-L212 VanDerWaalsContact O-O 3.08Å; A207-E214 HydrophobicContact CB-CG 4.03Å; A207-I217 HydrophobicContact CB-CG1 4.18Å |
| 208 | N | 98.6 | Very high | 98.5 | Very high | 113 Ų | 113 | 71 Ų | 71 | 60% | 0.604 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -68 | -48.3 | -179.5 | -65 | -8.8 | 0 | 0 | 0 | 111.7 | V204 E205 L210 N211 | V204-N208 VanDerWaalsContact O-CG 3.26Å; V204-N208 PolarHBondContact O-N 3.5Å; E205-N208 PolarHBondContact O-N 2.74Å; N208-L210 PolarHBondContact O-N 3.26Å; N208-N211 PolarHBondContact O-N 2.85Å |
| 209 | L | 98.2 | Very high | 98.5 | Very high | 121 Ų | 121 | 72.9 Ų | 72.9 | 63% | 0.634 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -60.4 | -31.3 | -179.5 | -82 | 162.9 | 0 | 0 | 0 | 113.5 | E205 M206 | E205-L209 WeakPolarHBondContact O-CB 3.36Å; E205-L209 WeakPolarHBondContact O-CG 3.44Å; E205-L209 PolarHBondContact O-N 3.4Å; M206-L209 HydrophobicContact CE-CD1 3.62Å |
| 210 | L | 98.2 | Very high | 98.5 | Very high | 17 Ų | 17 | 70.6 Ų | 70.6 | 9% | 0.089 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -104.6 | 0.6 | -175.2 | -57 | -176.1 | 0 | 0 | 0 | 113.8 | Q184 E187 L188 M206 N208 L212 I217 | Q184-L210 HydrophobicContact CG-CB 4.34Å; Q184-L210 PolarHBondContact NE2-O 3.2Å; E187-L210 HydrophobicContact CB-CD1 4.35Å; E187-L210 HydrophobicContact CB-CD2 3.67Å; E187-L210 HydrophobicContact CG-CD2 4.15Å; L188-L210 HydrophobicContact CD1-CD1 4.35Å; L188-L210 HydrophobicContact CD2-CD1 3.79Å; L188-L210 HydrophobicContact CG-CD1 3.63Å; M206-L210 WeakPolarHBondContact O-CB 3.4Å; M206-L210 WeakPolarHBondContact O-CG 3.24Å; M206-L210 PolarHBondContact O-N 2.79Å; N208-L210 PolarHBondContact O-N 3.26Å; L210-L212 VanDerWaalsContact C-N 3.29Å; L210-L212 HydrophobicContact CB-CD1 4.21Å; L210-L212 HydrophobicContact CB-CG 4.15Å; L210-L212 PolarHBondContact O-N 3.37Å; L210-I217 HydrophobicContact CD1-CD1 4.39Å |
| 211 | N | 98.4 | Very high | 98.5 | Very high | 147 Ų | 147 | 64.4 Ų | 64.4 | 79% | 0.786 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 45.5 | -172 | -63.2 | -56.7 | 0 | 0 | 0 | 112.6 | A207 N208 | A207-N211 PolarHBondContact O-N 3.03Å; A207-N211 VanDerWaalsContact O-N 3.12Å; N208-N211 PolarHBondContact O-N 2.85Å |
| 212 | L | 98.2 | Very high | 98.5 | Very high | 16 Ų | 16 | 64.7 Ų | 64.7 | 8% | 0.084 | 31% | 0.309 | C | S | . | . | | | trans | -122.8 | 147.5 | 178.9 | -67.3 | -178 | 0 | 0 | 0 | 110.4 | Y180 L188 A207 L210 Q216 I217 | Y180-L212 HydrophobicContact CD1-CD1 3.92Å; Y180-L212 HydrophobicContact CD1-CD2 3.82Å; Y180-L212 HydrophobicContact CE1-CD1 3.87Å; Y180-L212 HydrophobicContact CE1-CD2 3.71Å; Y180-L212 HydrophobicContact CE1-CG 4.46Å; L188-L212 HydrophobicContact CD1-CD1 4.23Å; A207-L212 CarbonylContact C-O 3.54Å; A207-L212 WeakPolarHBondContact CA-O 3.48Å; A207-L212 WeakPolarHBondContact CB-O 3.47Å; A207-L212 PolarHBondContact O-N 3.01Å; A207-L212 VanDerWaalsContact O-O 3.08Å; L210-L212 VanDerWaalsContact C-N 3.29Å; L210-L212 HydrophobicContact CB-CD1 4.21Å; L210-L212 HydrophobicContact CB-CG 4.15Å; L210-L212 PolarHBondContact O-N 3.37Å; L212-Q216 HydrophobicContact CB-CB 4.35Å; L212-I217 HydrophobicContact CB-CD1 3.94Å; L212-I217 HydrophobicContact CB-CG1 4.42Å; L212-I217 HydrophobicContact CD1-CD1 3.97Å |
| 213 | T | 98.6 | Very high | 98.5 | Very high | 81 Ų | 81 | 66 Ų | 66 | 50% | 0.497 | 32% | 0.322 | S | S | . | . | | | trans | -67 | 147.8 | 171.9 | 63.3 | 0 | 0 | 0 | 0 | 111 | R215 Q216 I217 | T213-R215 PolarHBondContact O-N 2.9Å; T213-Q216 WeakPolarHBondContact O-CA 3.39Å; T213-Q216 WeakPolarHBondContact O-CB 3.48Å; T213-Q216 PolarHBondContact O-N 3.28Å; T213-Q216 WeakPolarHBondContact OG1-CG 2.78Å; T213-Q216 PolarHBondContact OG1-N 3.5Å; T213-Q216 PolarHBondContact OG1-OE1 3.08Å; T213-I217 PolarHBondContact O-N 2.99Å; T213-I217 VanDerWaalsContact O-N 3.1Å |
| 214 | E | 98.6 | Very high | 98.5 | Very high | 53 Ų | 53 | 65.1 Ų | 65.1 | 25% | 0.248 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -51.4 | -31.9 | 171.7 | -73.3 | -165.3 | -123.6 | 0 | 0 | 113.7 | R200 R203 A207 I217 K218 | R200-E214 VanDerWaalsContact CZ-CD 3.44Å; R200-E214 IonicContact CZ-OE1 3.08Å; R200-E214 IonicContact CZ-OE2 3.03Å; R200-E214 IonicContact NE-OE2 3.63Å; R200-E214 IonicContact NH1-OE1 2.75Å; R200-E214 PolarHBondContact NH1-OE1 3.25Å; R200-E214 IonicContact NH1-OE2 2.85Å; R200-E214 PolarHBondContact NH1-OE2 2.94Å; R200-E214 IonicContact NH2-OE1 2.74Å; R200-E214 PolarHBondContact NH2-OE1 3.07Å; R200-E214 IonicContact NH2-OE2 3.35Å; R200-E214 PolarHBondContact NH2-OE2 3.19Å; R203-E214 HydrophobicContact CG-CB 4.38Å; R203-E214 HydrophobicContact CG-CG 4.36Å; A207-E214 HydrophobicContact CB-CG 4.03Å; E214-I217 PolarHBondContact O-N 3.03Å; E214-K218 VanDerWaalsContact O-CB 3.31Å; E214-K218 WeakPolarHBondContact O-CB 3.32Å; E214-K218 PolarHBondContact O-N 3.32Å |
| 215 | R | 98.3 | Very high | 98.5 | Very high | 180 Ų | 180 | 65.7 Ų | 65.7 | 68% | 0.679 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -65.1 | -41.1 | 175.8 | -173.9 | 179.4 | -178.5 | -80.2 | -1.1 | 111.3 | T213 I219 | T213-R215 PolarHBondContact O-N 2.9Å; R215-I219 HydrophobicContact CG-CD1 3.94Å; R215-I219 VanDerWaalsContact NH1-CD1 3.32Å; R215-I219 WeakPolarHBondContact O-CB 3.4Å; R215-I219 VanDerWaalsContact O-CG1 3.24Å; R215-I219 WeakPolarHBondContact O-CG1 3.4Å; R215-I219 PolarHBondContact O-N 2.83Å |
| 216 | Q | 98.4 | Very high | 98.5 | Very high | 49 Ų | 49 | 66.4 Ų | 66.4 | 23% | 0.229 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.4 | -46 | 173.7 | -75.6 | 160.5 | -67.5 | 0 | 0 | 111 | Y180 L212 T213 K218 I219 W220 | Y180-Q216 HydrophobicContact CE1-CB 4.38Å; Y180-Q216 HydrophobicContact CE1-CG 4.47Å; Y180-Q216 WeakPolarHBondContact OH-CB 3.39Å; L212-Q216 HydrophobicContact CB-CB 4.35Å; T213-Q216 WeakPolarHBondContact O-CA 3.39Å; T213-Q216 WeakPolarHBondContact O-CB 3.48Å; T213-Q216 PolarHBondContact O-N 3.28Å; T213-Q216 WeakPolarHBondContact OG1-CG 2.78Å; T213-Q216 PolarHBondContact OG1-N 3.5Å; T213-Q216 PolarHBondContact OG1-OE1 3.08Å; Q216-K218 PolarHBondContact O-N 3.17Å; Q216-I219 PolarHBondContact O-N 3.07Å; Q216-W220 WeakPolarHBondContact O-CB 3.32Å; Q216-W220 PolarHBondContact O-N 3.47Å |
| 217 | I | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.3 | -49.6 | 174.8 | -53.9 | -63 | 0 | 0 | 0 | 110.8 | L188 L198 R203 M206 A207 L210 L212 T213 E214 I219 W220 F221 | L188-I217 HydrophobicContact CD2-CD1 3.82Å; L198-I217 HydrophobicContact CD1-CG2 3.69Å; R203-I217 HydrophobicContact CG-CB 4.09Å; R203-I217 HydrophobicContact CG-CG2 3.86Å; M206-I217 HydrophobicContact CB-CD1 4.36Å; M206-I217 HydrophobicContact CB-CG2 4.39Å; A207-I217 HydrophobicContact CB-CG1 4.18Å; L210-I217 HydrophobicContact CD1-CD1 4.39Å; L212-I217 HydrophobicContact CB-CD1 3.94Å; L212-I217 HydrophobicContact CB-CG1 4.42Å; L212-I217 HydrophobicContact CD1-CD1 3.97Å; T213-I217 PolarHBondContact O-N 2.99Å; T213-I217 VanDerWaalsContact O-N 3.1Å; E214-I217 PolarHBondContact O-N 3.03Å; I217-I219 PolarHBondContact O-N 2.96Å; I217-W220 PolarHBondContact O-N 2.98Å; I217-F221 HydrophobicContact CG2-CD2 4.03Å; I217-F221 HydrophobicContact CG2-CE2 4.26Å; I217-F221 WeakPolarHBondContact O-CD2 3.31Å; I217-F221 PolarHBondContact O-N 3.39Å |
| 218 | K | 98.4 | Very high | 98.3 | Very high | 129 Ų | 129 | 75.5 Ų | 75.5 | 56% | 0.561 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -57.3 | -46 | 177.6 | -177.9 | -178.6 | 178.1 | -178.5 | 0 | 112.1 | E214 Q216 Q222 | E214-K218 VanDerWaalsContact O-CB 3.31Å; E214-K218 WeakPolarHBondContact O-CB 3.32Å; E214-K218 PolarHBondContact O-N 3.32Å; Q216-K218 PolarHBondContact O-N 3.17Å; K218-Q222 WeakPolarHBondContact O-CB 3.41Å; K218-Q222 PolarHBondContact O-N 3.41Å |
| 219 | I | 98.6 | Very high | 98.2 | Very high | 60 Ų | 60 | 75.5 Ų | 75.5 | 31% | 0.308 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68 | -42 | 179.5 | -71.7 | 168.8 | 0 | 0 | 0 | 111 | R215 Q216 I217 Q222 N223 | R215-I219 HydrophobicContact CG-CD1 3.94Å; R215-I219 VanDerWaalsContact NH1-CD1 3.32Å; R215-I219 WeakPolarHBondContact O-CB 3.4Å; R215-I219 VanDerWaalsContact O-CG1 3.24Å; R215-I219 WeakPolarHBondContact O-CG1 3.4Å; R215-I219 PolarHBondContact O-N 2.83Å; Q216-I219 PolarHBondContact O-N 3.07Å; I217-I219 PolarHBondContact O-N 2.96Å; I219-Q222 PolarHBondContact O-N 2.87Å; I219-N223 WeakPolarHBondContact O-CB 3.35Å; I219-N223 VanDerWaalsContact O-CG 3.24Å; I219-N223 PolarHBondContact O-N 2.94Å; I219-N223 PolarHBondContact O-ND2 3.09Å |
| 220 | W | 98.6 | Very high | 98 | Very high | 26 Ų | 26 | 77.5 Ų | 77.5 | 10% | 0.098 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.7 | -47.4 | 177.7 | -169.9 | 104.7 | 0 | 0 | 0 | 110.8 | Y180 L188 E189 F192 Q216 I217 Q222 N223 R224 | Y180-W220 AromaticContact CD2-CD1 3.92Å; Y180-W220 AromaticContact CE2-CD1 3.72Å; L188-W220 VanDerWaalsContact C-CH2 3.49Å; L188-W220 HydrophobicContact CB-CD2 3.99Å; L188-W220 HydrophobicContact CB-CE3 4.01Å; L188-W220 HydrophobicContact CB-CH2 3.68Å; L188-W220 HydrophobicContact CB-CZ2 3.63Å; L188-W220 HydrophobicContact CB-CZ3 3.87Å; L188-W220 HydrophobicContact CD1-CD2 3.94Å; L188-W220 HydrophobicContact CD1-CG 3.9Å; L188-W220 HydrophobicContact CD2-CD2 4.33Å; L188-W220 HydrophobicContact CD2-CE3 4.22Å; L188-W220 HydrophobicContact CG-CD2 4.31Å; L188-W220 WeakPolarHBondContact O-CH2 3.37Å; L188-W220 WeakPolarHBondContact O-CZ3 3.47Å; E189-W220 HydrophobicContact CG-CH2 3.88Å; E189-W220 HydrophobicContact CG-CZ2 3.88Å; F192-W220 HydrophobicContact CB-CH2 4.21Å; F192-W220 HydrophobicContact CB-CZ3 3.96Å; F192-W220 HydrophobicContact CG-CZ3 4.42Å; Q216-W220 WeakPolarHBondContact O-CB 3.32Å; Q216-W220 PolarHBondContact O-N 3.47Å; I217-W220 PolarHBondContact O-N 2.98Å; W220-Q222 VanDerWaalsContact C-N 3.32Å; W220-Q222 PolarHBondContact O-N 3.23Å; W220-N223 PolarHBondContact O-N 3.46Å; W220-R224 HydrophobicContact CE3-CB 3.94Å; W220-R224 HydrophobicContact CE3-CG 4.49Å; W220-R224 HydrophobicContact CH2-CB 3.94Å; W220-R224 HydrophobicContact CH2-CG 3.61Å; W220-R224 HydrophobicContact CZ2-CG 4.34Å; W220-R224 HydrophobicContact CZ3-CB 3.63Å; W220-R224 HydrophobicContact CZ3-CG 3.7Å; W220-R224 WeakPolarHBondContact O-CB 3.24Å; W220-R224 PolarHBondContact O-N 2.89Å |
| 221 | F | 98.8 | Very high | 97.8 | Very high | 8 Ų | 8 | 79.9 Ų | 79.9 | 4% | 0.035 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.3 | -30.4 | 176 | -90.9 | -101.4 | 0 | 0 | 0 | 113.5 | L188 E191 F192 L198 I217 R225 | L188-F221 HydrophobicContact CD2-CE2 3.99Å; E191-F221 HydrophobicContact CB-CZ 4.32Å; E191-F221 HydrophobicContact CG-CZ 4.19Å; F192-F221 HydrophobicContact CB-CE1 4.05Å; F192-F221 HydrophobicContact CB-CZ 4.15Å; F192-F221 AromaticContact CD2-CD1 3.96Å; F192-F221 HydrophobicContact CD2-CD1 3.96Å; F192-F221 AromaticContact CD2-CE1 3.86Å; F192-F221 HydrophobicContact CD2-CE1 3.86Å; F192-F221 HydrophobicContact CG-CE1 4.48Å; L198-F221 HydrophobicContact CD1-CD1 4.48Å; L198-F221 HydrophobicContact CD1-CD2 3.93Å; L198-F221 HydrophobicContact CD1-CE1 4.11Å; L198-F221 HydrophobicContact CD1-CE2 3.53Å; L198-F221 HydrophobicContact CD1-CG 4.4Å; L198-F221 HydrophobicContact CD1-CZ 3.64Å; L198-F221 HydrophobicContact CD2-CE1 3.92Å; L198-F221 HydrophobicContact CD2-CZ 3.91Å; L198-F221 HydrophobicContact CG-CD1 3.97Å; L198-F221 HydrophobicContact CG-CD2 4.3Å; L198-F221 HydrophobicContact CG-CE1 3.63Å; L198-F221 HydrophobicContact CG-CE2 4.01Å; L198-F221 HydrophobicContact CG-CG 4.3Å; L198-F221 HydrophobicContact CG-CZ 3.67Å; I217-F221 HydrophobicContact CG2-CD2 4.03Å; I217-F221 HydrophobicContact CG2-CE2 4.26Å; I217-F221 WeakPolarHBondContact O-CD2 3.31Å; I217-F221 PolarHBondContact O-N 3.39Å; F221-R225 WeakPolarHBondContact O-CB 3.47Å; F221-R225 WeakPolarHBondContact O-CG 3.43Å; F221-R225 PolarHBondContact O-N 3.2Å; F221-R225 PolarHBondContact O-NE 2.84Å |
| 222 | Q | 98.7 | Very high | 97.3 | Very high | 87 Ų | 87 | 77.8 Ų | 77.8 | 41% | 0.407 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.8 | -48.1 | 171.1 | -170.9 | 66.3 | 47.2 | 0 | 0 | 111 | K218 I219 W220 R225 M226 | K218-Q222 WeakPolarHBondContact O-CB 3.41Å; K218-Q222 PolarHBondContact O-N 3.41Å; I219-Q222 PolarHBondContact O-N 2.87Å; W220-Q222 VanDerWaalsContact C-N 3.32Å; W220-Q222 PolarHBondContact O-N 3.23Å; Q222-R225 PolarHBondContact O-N 2.93Å; Q222-M226 WeakPolarHBondContact O-CG 3.34Å; Q222-M226 PolarHBondContact O-N 3.14Å; Q222-M226 VanDerWaalsContact O-N 3.1Å |
| 223 | N | 98.4 | Very high | 96.5 | Very high | 103 Ų | 103 | 84.5 Ų | 84.5 | 55% | 0.551 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64.1 | -42.8 | 178.5 | -68.1 | -14.2 | 0 | 0 | 0 | 111.8 | I219 W220 M226 K227 | I219-N223 WeakPolarHBondContact O-CB 3.35Å; I219-N223 VanDerWaalsContact O-CG 3.24Å; I219-N223 PolarHBondContact O-N 2.94Å; I219-N223 PolarHBondContact O-ND2 3.09Å; W220-N223 PolarHBondContact O-N 3.46Å; N223-M226 PolarHBondContact O-N 3.48Å; N223-K227 PolarHBondContact O-N 3.1Å |
| 224 | R | 98.5 | Very high | 95 | Very high | 34 Ų | 34 | 82.6 Ų | 82.6 | 13% | 0.128 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 179.9 | -167.1 | 66.5 | 175.5 | 96 | -9.6 | 112.1 | E189 F192 W220 K227 Y228 | E189-R224 IonicContact OE1-CZ 3.23Å; E189-R224 VanDerWaalsContact OE1-CZ 3.23Å; E189-R224 IonicContact OE1-NE 2.92Å; E189-R224 PolarHBondContact OE1-NE 3.42Å; E189-R224 IonicContact OE1-NH2 2.77Å; E189-R224 PolarHBondContact OE1-NH2 3.1Å; F192-R224 HydrophobicContact CB-CG 4.49Å; F192-R224 HydrophobicContact CD1-CG 3.67Å; F192-R224 HydrophobicContact CD2-CB 4.29Å; F192-R224 HydrophobicContact CD2-CG 3.88Å; F192-R224 HydrophobicContact CE1-CG 3.76Å; F192-R224 HydrophobicContact CE2-CB 4.31Å; F192-R224 HydrophobicContact CE2-CG 3.98Å; F192-R224 HydrophobicContact CG-CG 3.73Å; F192-R224 HydrophobicContact CZ-CG 3.92Å; W220-R224 HydrophobicContact CE3-CB 3.94Å; W220-R224 HydrophobicContact CE3-CG 4.49Å; W220-R224 HydrophobicContact CH2-CB 3.94Å; W220-R224 HydrophobicContact CH2-CG 3.61Å; W220-R224 HydrophobicContact CZ2-CG 4.34Å; W220-R224 HydrophobicContact CZ3-CB 3.63Å; W220-R224 HydrophobicContact CZ3-CG 3.7Å; W220-R224 WeakPolarHBondContact O-CB 3.24Å; W220-R224 PolarHBondContact O-N 2.89Å; R224-K227 PolarHBondContact O-N 3.1Å; R224-Y228 WeakPolarHBondContact O-CB 3.37Å; R224-Y228 PolarHBondContact O-N 3.2Å |
| 225 | R | 98.3 | Very high | 93.3 | Very high | 60 Ų | 60 | 85.4 Ų | 85.4 | 23% | 0.226 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63 | -40.5 | 171.8 | -77.2 | -178.8 | -70.5 | 145.8 | 3.9 | 112.5 | F192 R196 F221 Q222 Y228 K229 | F192-R225 HydrophobicContact CE2-CG 3.79Å; F192-R225 HydrophobicContact CZ-CG 4.37Å; R196-R225 WeakPolarHBondContact O-CD 3.22Å; F221-R225 WeakPolarHBondContact O-CB 3.47Å; F221-R225 WeakPolarHBondContact O-CG 3.43Å; F221-R225 PolarHBondContact O-N 3.2Å; F221-R225 PolarHBondContact O-NE 2.84Å; Q222-R225 PolarHBondContact O-N 2.93Å; R225-Y228 PolarHBondContact O-N 3.15Å; R225-K229 WeakPolarHBondContact O-CB 3.39Å; R225-K229 PolarHBondContact O-N 3.17Å |
| 226 | M | 98.1 | Very high | 91.4 | Very high | 99 Ų | 99 | 79.6 Ų | 79.6 | 49% | 0.488 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66.3 | -40.3 | 176.7 | -68.3 | -67.3 | -88.3 | 0 | 0 | 111.9 | Q222 N223 K229 K230 | Q222-M226 WeakPolarHBondContact O-CG 3.34Å; Q222-M226 PolarHBondContact O-N 3.14Å; Q222-M226 VanDerWaalsContact O-N 3.1Å; N223-M226 PolarHBondContact O-N 3.48Å; M226-K229 PolarHBondContact SD-NZ 3.16Å; M226-K230 PolarHBondContact O-N 3.47Å; M226-K230 VanDerWaalsContact O-N 3.16Å |
| 227 | K | 97 | Very high | 89.2 | Confident | 113 Ų | 113 | 85 Ų | 85 | 49% | 0.491 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.8 | -53.2 | 171.7 | -167.6 | -164.1 | 167.1 | -172.4 | 0 | 110.8 | N223 R224 K229 K230 D231 | N223-K227 PolarHBondContact O-N 3.1Å; R224-K227 PolarHBondContact O-N 3.1Å; K227-K229 VanDerWaalsContact C-N 3.29Å; K227-K229 PolarHBondContact O-N 3.34Å; K227-K230 CarbonylContact O-C 3.47Å; K227-K230 WeakPolarHBondContact O-CA 3.36Å; K227-K230 WeakPolarHBondContact O-CB 3.33Å; K227-K230 PolarHBondContact O-N 3.4Å; K227-D231 WeakPolarHBondContact CE-OD2 3.31Å; K227-D231 WeakPolarHBondContact CG-OD2 3.27Å; K227-D231 PolarHBondContact O-N 3.44Å |
| 228 | Y | 96.5 | Very high | 87.2 | Confident | 89 Ų | 89 | 92.5 Ų | 92.5 | 35% | 0.349 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -53.6 | -43.5 | 178.3 | -178.5 | -101.4 | 0 | 0 | 0 | 112.7 | F192 R224 R225 K230 D231 Q232 | F192-Y228 HydrophobicContact CE1-CD2 4.3Å; F192-Y228 HydrophobicContact CE1-CG 4.4Å; F192-Y228 HydrophobicContact CZ-CG 4.22Å; R224-Y228 WeakPolarHBondContact O-CB 3.37Å; R224-Y228 PolarHBondContact O-N 3.2Å; R225-Y228 PolarHBondContact O-N 3.15Å; Y228-K230 VanDerWaalsContact C-N 3.31Å; Y228-K230 PolarHBondContact O-N 3.32Å; Y228-D231 PolarHBondContact O-N 2.98Å; Y228-Q232 HydrophobicContact CD1-CG 4.24Å; Y228-Q232 HydrophobicContact CD2-CG 4.43Å; Y228-Q232 HydrophobicContact CE1-CG 3.94Å; Y228-Q232 HydrophobicContact CE2-CG 4.14Å; Y228-Q232 HydrophobicContact CG-CG 4.49Å; Y228-Q232 WeakPolarHBondContact O-CB 3.48Å; Y228-Q232 VanDerWaalsContact O-CG 3.24Å; Y228-Q232 WeakPolarHBondContact O-CG 3.38Å; Y228-Q232 PolarHBondContact O-N 2.84Å; Y228-Q232 PolarHBondContact OH-NE2 3.31Å; Y228-Q232 VanDerWaalsContact OH-NE2 3.09Å |
| 229 | K | 96 | Very high | 85 | Confident | 113 Ų | 113 | 91.5 Ų | 91.5 | 49% | 0.491 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.3 | -30.7 | 174.8 | -175.6 | 178.9 | 68.1 | 179.3 | 0 | 113.3 | R225 M226 K227 K233 | R225-K229 WeakPolarHBondContact O-CB 3.39Å; R225-K229 PolarHBondContact O-N 3.17Å; M226-K229 PolarHBondContact SD-NZ 3.16Å; K227-K229 VanDerWaalsContact C-N 3.29Å; K227-K229 PolarHBondContact O-N 3.34Å; K229-K233 WeakPolarHBondContact O-CD 3.33Å; K229-K233 VanDerWaalsContact O-CG 3.31Å; K229-K233 WeakPolarHBondContact O-CG 3.42Å |
| 230 | K | 95.4 | Very high | 82.6 | Confident | 163 Ų | 163 | 93.5 Ų | 93.5 | 71% | 0.709 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -75 | -48.6 | 174.2 | -172.7 | -175 | 177.7 | -174.5 | 0 | 110.4 | M226 K227 Y228 Q232 K233 G234 | M226-K230 PolarHBondContact O-N 3.47Å; M226-K230 VanDerWaalsContact O-N 3.16Å; K227-K230 CarbonylContact O-C 3.47Å; K227-K230 WeakPolarHBondContact O-CA 3.36Å; K227-K230 WeakPolarHBondContact O-CB 3.33Å; K227-K230 PolarHBondContact O-N 3.4Å; Y228-K230 VanDerWaalsContact C-N 3.31Å; Y228-K230 PolarHBondContact O-N 3.32Å; K230-Q232 PolarHBondContact O-N 2.85Å; K230-K233 PolarHBondContact O-N 3.08Å; K230-K233 VanDerWaalsContact O-N 3.17Å; K230-G234 PolarHBondContact O-N 3.13Å |
| 231 | D | 92.7 | Very high | 80.6 | Confident | 67 Ų | 67 | 98.9 Ų | 98.9 | 36% | 0.358 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -56.9 | -51.7 | -178.4 | -57.5 | -16.7 | 0 | 0 | 0 | 110.1 | K227 Y228 K233 G234 V235 | K227-D231 WeakPolarHBondContact CE-OD2 3.31Å; K227-D231 WeakPolarHBondContact CG-OD2 3.27Å; K227-D231 PolarHBondContact O-N 3.44Å; Y228-D231 PolarHBondContact O-N 2.98Å; D231-K233 PolarHBondContact O-N 3.44Å; D231-K233 VanDerWaalsContact O-N 3.17Å; D231-G234 PolarHBondContact O-N 3.04Å; D231-V235 WeakPolarHBondContact O-CG2 3.45Å; D231-V235 PolarHBondContact O-N 2.73Å |
| 232 | Q | 89.8 | Confident | 78.3 | Confident | 103 Ų | 103 | 101.8 Ų | 101.8 | 48% | 0.481 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -55.7 | -32.6 | 178 | -74.6 | -70.6 | -8 | 0 | 0 | 114.3 | Y228 K230 | Y228-Q232 HydrophobicContact CD1-CG 4.24Å; Y228-Q232 HydrophobicContact CD2-CG 4.43Å; Y228-Q232 HydrophobicContact CE1-CG 3.94Å; Y228-Q232 HydrophobicContact CE2-CG 4.14Å; Y228-Q232 HydrophobicContact CG-CG 4.49Å; Y228-Q232 WeakPolarHBondContact O-CB 3.48Å; Y228-Q232 VanDerWaalsContact O-CG 3.24Å; Y228-Q232 WeakPolarHBondContact O-CG 3.38Å; Y228-Q232 PolarHBondContact O-N 2.84Å; Y228-Q232 PolarHBondContact OH-NE2 3.31Å; Y228-Q232 VanDerWaalsContact OH-NE2 3.09Å; K230-Q232 PolarHBondContact O-N 2.85Å |
| 233 | K | 80.9 | Confident | 75.6 | Confident | 156 Ų | 156 | 100.7 Ų | 100.7 | 68% | 0.678 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -78.1 | -21.7 | 177.8 | -70.4 | 178.5 | 176.5 | -153.9 | 0 | 113.3 | K229 K230 D231 | K229-K233 WeakPolarHBondContact O-CD 3.33Å; K229-K233 VanDerWaalsContact O-CG 3.31Å; K229-K233 WeakPolarHBondContact O-CG 3.42Å; K230-K233 PolarHBondContact O-N 3.08Å; K230-K233 VanDerWaalsContact O-N 3.17Å; D231-K233 PolarHBondContact O-N 3.44Å; D231-K233 VanDerWaalsContact O-N 3.17Å |
| 234 | G | 66.8 | Low | 73.4 | Confident | 41 Ų | 41 | 105 Ų | 105 | 42% | 0.423 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -79.7 | -33.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | K230 D231 G236 M237 | K230-G234 PolarHBondContact O-N 3.13Å; D231-G234 PolarHBondContact O-N 3.04Å; G234-G236 VanDerWaalsContact C-N 3.28Å; G234-G236 PolarHBondContact O-N 2.97Å; G234-M237 PolarHBondContact O-N 2.89Å; G234-M237 VanDerWaalsContact O-N 3.15Å |
| 235 | V | 62.4 | Low | 70.6 | Confident | 112 Ų | 112 | 108.8 Ų | 108.8 | 68% | 0.679 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -65.9 | -30.3 | -176.4 | -160.5 | 0 | 0 | 0 | 0 | 112.4 | D231 M237 | D231-V235 WeakPolarHBondContact O-CG2 3.45Å; D231-V235 PolarHBondContact O-N 2.73Å; V235-M237 VanDerWaalsContact C-N 3.29Å; V235-M237 PolarHBondContact O-N 3.09Å |
| 236 | G | 58.2 | Low | 68.8 | Low | 59 Ų | 59 | 111.2 Ų | 111.2 | 61% | 0.608 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -2.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | G234 | G234-G236 VanDerWaalsContact C-N 3.28Å; G234-G236 PolarHBondContact O-N 2.97Å |
| 237 | M | 53.3 | Low | 66.6 | Low | 162 Ų | 162 | 118.1 Ų | 118.1 | 80% | 0.798 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.8 | 30.5 | -175.6 | -76.9 | -79 | 97.2 | 0 | 0 | 112.9 | G234 V235 | G234-M237 PolarHBondContact O-N 2.89Å; G234-M237 VanDerWaalsContact O-N 3.15Å; V235-M237 VanDerWaalsContact C-N 3.29Å; V235-M237 PolarHBondContact O-N 3.09Å |
| 238 | M | 55.8 | Low | 64 | Low | 158 Ų | 158 | 118.2 Ų | 118.2 | 78% | 0.778 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 128.9 | 156.3 | -83.1 | -65.2 | -161.1 | 0 | 0 | 108.9 | S240 | M238-S240 PolarHBondContact O-N 2.89Š|
| 239 | P | 52.4 | Low | 62 | Low | 109 Ų | 109 | 120.2 Ų | 120.2 | 71% | 0.708 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 123.3 | 172.4 | 28.6 | -32.2 | 0 | 0 | 0 | 109 | P241 | P239-P241 VanDerWaalsContact O-CD 3.27Å; P239-P241 WeakPolarHBondContact O-CD 3.13Å |
| 240 | S | 48.1 | Very low | 59.6 | Low | 102 Ų | 102 | 121.5 Ų | 121.5 | 71% | 0.713 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 119.8 | 171.9 | -75.4 | 0 | 0 | 0 | 0 | 110.4 | M238 G242 | M238-S240 PolarHBondContact O-N 2.89Å; S240-G242 PolarHBondContact O-N 3.18Å; S240-G242 VanDerWaalsContact O-N 3.1Å |
| 241 | P | 56.2 | Low | 57.4 | Low | 138 Ų | 138 | 116.5 Ų | 116.5 | 90% | 0.896 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | 102.3 | 168.2 | 30.5 | -30.6 | 0 | 0 | 0 | 108.5 | P239 | P239-P241 VanDerWaalsContact O-CD 3.27Å; P239-P241 WeakPolarHBondContact O-CD 3.13Å |
| 242 | G | 51.9 | Low | 55.6 | Low | 69 Ų | 69 | 119 Ų | 119 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 122.9 | 4.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | S240 Q244 | S240-G242 PolarHBondContact O-N 3.18Å; S240-G242 VanDerWaalsContact O-N 3.1Å; G242-Q244 PolarHBondContact O-N 2.67Å |
| 243 | G | 42.1 | Very low | 53.8 | Low | 65 Ų | 65 | 120 Ų | 120 | 67% | 0.67 | 75% | 0.747 | S | S | * | * | | | trans | -76.7 | 82.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S245 | G243-S245 PolarHBondContact O-N 3.44Š|
| 244 | Q | 51.1 | Low | 52.1 | Low | 192 Ų | 192 | 118.6 Ų | 118.6 | 90% | 0.897 | 76% | 0.757 | S | S | * | * | | | trans | -66.3 | 103 | 171.2 | -66.8 | -175.3 | 85.6 | 0 | 0 | 110 | G242 P246 | G242-Q244 PolarHBondContact O-N 2.67Å; Q244-P246 WeakPolarHBondContact O-CD 3.4Å |
| 245 | S | 38.8 | Very low | 50.9 | Low | 115 Ų | 115 | 120.6 Ų | 120.6 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | trans | -89.6 | 117.1 | 175.3 | -163.6 | 0 | 0 | 0 | 0 | 110.1 | G243 | G243-S245 PolarHBondContact O-N 3.44Š|
| 246 | P | 61 | Low | 49.8 | Very low | 110 Ų | 110 | 119.4 Ų | 119.4 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | | | trans | -80.9 | 147.8 | 177.7 | 33 | -33.3 | 0 | 0 | 0 | 111.2 | Q244 | Q244-P246 WeakPolarHBondContact O-CD 3.4Š|
| 247 | R | 51.7 | Low | 48.8 | Very low | 244 Ų | 244 | 120.3 Ų | 120.3 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | | | trans | 81.6 | 89.7 | 177.1 | -55 | 177.4 | 164 | -158.2 | -5.6 | 116.9 | | |
| 248 | S | 43.8 | Very low | 48 | Very low | 115 Ų | 115 | 116.8 Ų | 116.8 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | | -130.7 | 147.4 | 126.3 | -82.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 249 | P | 53.3 | Low | 47.1 | Very low | 131 Ų | 131 | 113 Ų | 113 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 142.2 | -175.8 | -12.4 | 28.7 | 0 | 0 | 0 | 112 | | |
| 250 | V | 45.4 | Very low | 46.3 | Very low | 140 Ų | 140 | 112 Ų | 112 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 124.4 | 173.4 | 174.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 251 | G | 50.4 | Low | 46 | Very low | 58 Ų | 58 | 110.9 Ų | 110.9 | 60% | 0.598 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -81 | 145.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 252 | P | 54.5 | Low | 45.4 | Very low | 119 Ų | 119 | 110.6 Ų | 110.6 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 148.5 | -176.2 | 30.1 | -35.2 | 0 | 0 | 0 | 112.2 | | |
| 253 | P | 51.8 | Low | 44.9 | Very low | 126 Ų | 126 | 110.5 Ų | 110.5 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 118.1 | 175.3 | 32.7 | -31.2 | 0 | 0 | 0 | 111.1 | | |
| 254 | S | 44.6 | Very low | 45.1 | Very low | 126 Ų | 126 | 118 Ų | 118 | 88% | 0.881 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 125 | 159.4 | -74.8 | 0 | 0 | 0 | 0 | 109 | | |
| 255 | G | 42.3 | Very low | 44.7 | Very low | 82 Ų | 82 | 116.2 Ų | 116.2 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | | | trans | -87.8 | 174 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 256 | G | 38.6 | Very low | 44.8 | Very low | 87 Ų | 87 | 118.1 Ų | 118.1 | 90% | 0.897 | 83% | 0.825 | S | S | * | * | | | trans | 105.2 | 128.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 257 | G | 37.4 | Very low | 44.1 | Very low | 79 Ų | 79 | 118.4 Ų | 118.4 | 81% | 0.814 | 83% | 0.829 | S | S | * | * | | | cis | 163.6 | 122.9 | -4.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 258 | G | 35.9 | Very low | 43.6 | Very low | 88 Ų | 88 | 114.6 Ų | 114.6 | 91% | 0.907 | 82% | 0.824 | S | S | * | * | | | trans | 74.2 | 153.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 259 | G | 38.3 | Very low | 43.5 | Very low | 77 Ų | 77 | 118.1 Ų | 118.1 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | | | cis | 170.9 | 131 | -4.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 260 | G | 36 | Very low | 42.7 | Very low | 88 Ų | 88 | 117.7 Ų | 117.7 | 91% | 0.907 | 83% | 0.827 | S | S | * | * | | | trans | 81.7 | 138.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 261 | G | 40.8 | Very low | 42.7 | Very low | 80 Ų | 80 | 118.8 Ų | 118.8 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | | | cis | 142.7 | 88.7 | -0.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 262 | S | 44.3 | Very low | 42 | Very low | 131 Ų | 131 | 122.3 Ų | 122.3 | 92% | 0.916 | 84% | 0.837 | S | S | * | * | | | trans | -170.7 | 153 | 160.9 | -164.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 263 | G | 40.7 | Very low | 41.2 | Very low | 67 Ų | 67 | 124 Ų | 124 | 69% | 0.691 | 84% | 0.839 | S | S | * | * | | | trans | 98.6 | 61.8 | 151 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 264 | Y | 46.6 | Very low | 40.6 | Very low | 224 Ų | 224 | 123.4 Ų | 123.4 | 88% | 0.878 | 84% | 0.839 | S | S | * | * | | | trans | -59.9 | 146.1 | 154.2 | -66.6 | -98.9 | 0 | 0 | 0 | 110.6 | | |
| 265 | L | 43.3 | Very low | 40.4 | Very low | 153 Ų | 153 | 123.9 Ų | 123.9 | 80% | 0.801 | 84% | 0.836 | S | S | * | * | | | | 173.9 | 151 | 119.7 | -91.5 | 170.1 | 0 | 0 | 0 | 112.2 | | |
| 266 | N | 39.6 | Very low | 40.6 | Very low | 156 Ų | 156 | 125.7 Ų | 125.7 | 83% | 0.834 | 83% | 0.833 | S | S | * | * | | | trans | 82.4 | 71 | 168.6 | -48.6 | -52.9 | 0 | 0 | 0 | 118.3 | | |
| 267 | S | 46.3 | Very low | 40.4 | Very low | 115 Ų | 115 | 131.1 Ų | 131.1 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | | | trans | -130 | 137.8 | 131.9 | -175.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 268 | M | 42.7 | Very low | 40.3 | Very low | 164 Ų | 164 | 134.1 Ų | 134.1 | 81% | 0.808 | 82% | 0.82 | S | S | * | * | | | trans | 137.2 | 109 | 164.3 | -79.2 | -57.7 | -164.6 | 0 | 0 | 110.6 | | |
| 269 | H | 40.3 | Very low | 40.3 | Very low | 190 Ų | 190 | 134.7 Ų | 134.7 | 88% | 0.88 | 81% | 0.811 | S | S | * | * | | | trans | 156.1 | 76.4 | 145.1 | -94.3 | -121.3 | 0 | 0 | 0 | 109.7 | | |
| 270 | S | 37.9 | Very low | 40.1 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | | | trans | -153.6 | 81.2 | 160.2 | -86.3 | 0 | 0 | 0 | 0 | 108.3 | | |
| 271 | L | 45 | Very low | 40.1 | Very low | 163 Ų | 163 | 140.8 Ų | 140.8 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | | | trans | -126.4 | 157.9 | 168 | -71.3 | 176.1 | 0 | 0 | 0 | 108.4 | | |
| 272 | V | 35.3 | Very low | 39.8 | Very low | 132 Ų | 132 | 141.6 Ų | 141.6 | 80% | 0.8 | 81% | 0.807 | S | S | * | * | S | Bend | trans | 79.8 | 67.8 | -178.3 | -160.6 | 0 | 0 | 0 | 0 | 115.3 | | |
| 273 | N | 38.4 | Very low | 39.6 | Very low | 153 Ų | 153 | 141.1 Ų | 141.1 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | | -176.4 | 95.2 | 112.3 | -102.7 | 4 | 0 | 0 | 0 | 110.8 | | |
| 274 | S | 37.4 | Very low | 39.8 | Very low | 115 Ų | 115 | 144 Ų | 144 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | -133.7 | 96.9 | 172.1 | 55.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 275 | V | 42 | Very low | 39.4 | Very low | 135 Ų | 135 | 143.9 Ų | 143.9 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -99.5 | 112.8 | 166.7 | -168.4 | 0 | 0 | 0 | 0 | 106.9 | Y277 | V275-Y277 PolarHBondContact O-N 3.12Š|
| 276 | P | 45 | Very low | 39 | Very low | 120 Ų | 120 | 142.9 Ų | 142.9 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | | | trans | -81 | 114.7 | 174.8 | 31 | -29.8 | 0 | 0 | 0 | 109.1 | | |
| 277 | Y | 34.4 | Very low | 39.1 | Very low | 202 Ų | 202 | 143.5 Ų | 143.5 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | | | trans | -91 | 110.4 | 166.8 | -171.5 | -92.6 | 0 | 0 | 0 | 109.3 | V275 | V275-Y277 PolarHBondContact O-N 3.12Š|
| 278 | E | 36.4 | Very low | 38.4 | Very low | 141 Ų | 141 | 144.1 Ų | 144.1 | 66% | 0.659 | 79% | 0.79 | S | S | * | * | | | trans | -71.6 | 124.1 | 170.4 | -177.2 | -165.3 | 130.7 | 0 | 0 | 109.5 | Q280 | E278-Q280 HydrophobicContact CG-CG 4.46Å; E278-Q280 WeakPolarHBondContact OE1-CG 3.49Å; E278-Q280 PolarHBondContact OE1-NE2 3.25Å |
| 279 | S | 34.9 | Very low | 38.4 | Very low | 101 Ų | 101 | 144.1 Ų | 144.1 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | | | trans | -115.5 | 111 | 167.2 | -113.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 280 | Q | 35.2 | Very low | 38.4 | Very low | 171 Ų | 171 | 143 Ų | 143 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | | | trans | -68.3 | 152.2 | -176 | -67.6 | 170.9 | -3.3 | 0 | 0 | 112.5 | E278 | E278-Q280 HydrophobicContact CG-CG 4.46Å; E278-Q280 WeakPolarHBondContact OE1-CG 3.49Å; E278-Q280 PolarHBondContact OE1-NE2 3.25Å |
| 281 | S | 35.6 | Very low | 38.1 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | | | trans | -120.1 | 125.7 | 175.8 | 55.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 282 | A | 35.2 | Very low | 37.6 | Very low | 97 Ų | 97 | 139.5 Ų | 139.5 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | | | trans | -175.2 | 136.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 283 | T | 39.3 | Very low | 37.9 | Very low | 122 Ų | 122 | 143.5 Ų | 143.5 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | | | cis | -146 | 158.4 | 10.4 | 50.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 284 | P | 45 | Very low | 37.8 | Very low | 127 Ų | 127 | 139 Ų | 139 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 127.6 | 167.2 | 33.8 | -28.7 | 0 | 0 | 0 | 111.3 | | |
| 285 | Y | 37.3 | Very low | 38 | Very low | 221 Ų | 221 | 142 Ų | 142 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 119.7 | 175 | -150.6 | -90.5 | 0 | 0 | 0 | 110.9 | | |
| 286 | N | 35.9 | Very low | 37.5 | Very low | 132 Ų | 132 | 139.8 Ų | 139.8 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 130.4 | 177.8 | -179 | -12.7 | 0 | 0 | 0 | 109.8 | | |
| 287 | K | 41.2 | Very low | 37 | Very low | 170 Ų | 170 | 141.2 Ų | 141.2 | 74% | 0.739 | 77% | 0.769 | S | S | * | * | | | trans | -145.4 | 107.9 | 155.7 | -152.9 | 159 | -170.3 | 172.1 | 0 | 112.1 | | |
| 288 | N | 31.3 | Very low | 37.1 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 68% | 0.684 | 76% | 0.759 | S | S | * | * | | | trans | -96.3 | 128.9 | 176.5 | -156.6 | 18.2 | 0 | 0 | 0 | 109 | | |
| 289 | H | 43.3 | Very low | 37 | Very low | 164 Ų | 164 | 139.4 Ų | 139.4 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | | | trans | -144 | 121.2 | 163.1 | -90.7 | -78.2 | 0 | 0 | 0 | 109.9 | | |
| 290 | Q | 39.7 | Very low | 37.9 | Very low | 167 Ų | 167 | 139.5 Ų | 139.5 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | | | trans | -84 | 139.7 | 166.8 | -56.6 | 172.2 | 12.4 | 0 | 0 | 109.1 | | |
| 291 | T | 33 | Very low | 38.7 | Very low | 138 Ų | 138 | 137 Ų | 137 | 85% | 0.847 | 77% | 0.765 | S | S | * | * | | | | 179.2 | 146.3 | 123 | 27.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 292 | A | 32.7 | Very low | 39.4 | Very low | 72 Ų | 72 | 137.3 Ų | 137.3 | 60% | 0.595 | 77% | 0.765 | S | S | * | * | | | trans | 28.8 | 137.3 | 154 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 293 | Y | 42.1 | Very low | 39.6 | Very low | 216 Ų | 216 | 140.4 Ų | 140.4 | 85% | 0.847 | 77% | 0.767 | S | S | * | * | | | cis | -145.8 | 173.1 | 35.6 | -65.4 | -93.9 | 0 | 0 | 0 | 112.4 | | |
| 294 | G | 36.6 | Very low | 39.5 | Very low | 60 Ų | 60 | 139.4 Ų | 139.4 | 62% | 0.619 | 77% | 0.765 | S | S | * | * | | | trans | -55.4 | 177.9 | 169 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 295 | M | 40.8 | Very low | 38.8 | Very low | 178 Ų | 178 | 140.3 Ų | 140.3 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | | | | -143.2 | 178.2 | 52.1 | -49.6 | -56 | 160.8 | 0 | 0 | 113.8 | | |
| 296 | A | 31.5 | Very low | 38.6 | Very low | 88 Ų | 88 | 134 Ų | 134 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | | | trans | -81.9 | 155.5 | -164.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 297 | T | 34.7 | Very low | 38.7 | Very low | 150 Ų | 150 | 134.6 Ų | 134.6 | 92% | 0.92 | 75% | 0.753 | S | S | * | * | | | | -136.5 | 130.9 | 128.4 | -173.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 298 | S | 36.4 | Very low | 38.5 | Very low | 83 Ų | 83 | 133.8 Ų | 133.8 | 58% | 0.58 | 76% | 0.757 | S | S | * | * | | | trans | -147.9 | 114.5 | -158.9 | 54.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 299 | Y | 35.2 | Very low | 38.6 | Very low | 222 Ų | 222 | 132.8 Ų | 132.8 | 87% | 0.871 | 76% | 0.76 | S | S | * | * | | | trans | 66.3 | 177.8 | 149.7 | -72.7 | -98.4 | 0 | 0 | 0 | 116.9 | | |
| 300 | P | 53.3 | Low | 38 | Very low | 102 Ų | 102 | 130.8 Ų | 130.8 | 66% | 0.662 | 76% | 0.763 | S | S | * | * | | | | -137 | -175.2 | -70.4 | 42.3 | -25.5 | 0 | 0 | 0 | 112.9 | | |
| 301 | P | 53.4 | Low | 38.6 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | | | trans | -91 | 156.1 | 172.4 | 35.9 | -35 | 0 | 0 | 0 | 113.9 | | |
| 302 | P | 49.5 | Very low | 39.4 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 83% | 0.831 | 76% | 0.759 | S | S | * | * | | | trans | -132 | -179.5 | 149.6 | 31.5 | -13.5 | 0 | 0 | 0 | 114.3 | | |
| 303 | L | 40.3 | Very low | 40.4 | Very low | 161 Ų | 161 | 130.3 Ų | 130.3 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | | | trans | -105.8 | 158.5 | -154.3 | -65.8 | 156.3 | 0 | 0 | 0 | 115.7 | | |
| 304 | S | 36.8 | Very low | 39.9 | Very low | 101 Ų | 101 | 128 Ų | 128 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | | | trans | 47 | 126.6 | 145.8 | 62.7 | 0 | 0 | 0 | 0 | 121.2 | | |
| 305 | N | 30.2 | Very low | 39.9 | Very low | 147 Ų | 147 | 133.5 Ų | 133.5 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | | | | -170.2 | 143.9 | 91.7 | -129.2 | 2.3 | 0 | 0 | 0 | 116 | | |
| 306 | S | 32.7 | Very low | 39.5 | Very low | 89 Ų | 89 | 136.6 Ų | 136.6 | 62% | 0.622 | 78% | 0.777 | S | S | * | * | | | trans | 62.6 | 135.7 | 139.5 | -82.8 | 0 | 0 | 0 | 0 | 125.8 | | |
| 307 | L | 37.8 | Very low | 39.4 | Very low | 143 Ų | 143 | 142.8 Ų | 142.8 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | | | trans | 75.2 | 94.7 | 143.9 | -64.2 | 162.6 | 0 | 0 | 0 | 120 | | |
| 308 | N | 37.3 | Very low | 40 | Very low | 153 Ų | 153 | 141.7 Ų | 141.7 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | | 174.1 | 154.5 | 89.4 | -86.9 | -43.4 | 0 | 0 | 0 | 112.9 | | |
| 309 | S | 32.8 | Very low | 39.9 | Very low | 108 Ų | 108 | 140.8 Ų | 140.8 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | | | trans | -117.9 | 149.4 | -170.4 | -54.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 310 | C | 32.2 | Very low | 39.9 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | | | trans | 66.9 | 171.3 | 156.8 | -66.1 | 0 | 0 | 0 | 0 | 118.1 | | |
| 311 | P | 52.4 | Low | 38.8 | Very low | 116 Ų | 116 | 137.7 Ų | 137.7 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | | | cis | -131.4 | -177 | -30.5 | 27.1 | -5 | 0 | 0 | 0 | 112.8 | | |
| 312 | P | 48.8 | Very low | 37.8 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | | | trans | -87.5 | 155.5 | 176 | 35.4 | -35.7 | 0 | 0 | 0 | 113.9 | | |
| 313 | P | 53.1 | Low | 37.1 | Very low | 131 Ų | 131 | 136.1 Ų | 136.1 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | | | trans | -86.1 | 142.6 | 179.2 | 33 | -33.8 | 0 | 0 | 0 | 113.9 | | |
| 314 | Q | 33.3 | Very low | 37 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | | | trans | -133.2 | 151.2 | 168.8 | -127.2 | -150.5 | 28.1 | 0 | 0 | 111 | | |
| 315 | K | 35.9 | Very low | 37.8 | Very low | 177 Ų | 177 | 135.7 Ų | 135.7 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | trans | 75 | 130.5 | 162.2 | -50 | -142.1 | -179.5 | -169.7 | 0 | 120.4 | | |
| 316 | R | 32.5 | Very low | 37.9 | Very low | 243 Ų | 243 | 137.5 Ų | 137.5 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | | | | -161.6 | 150.4 | 101.3 | -108 | -172.1 | -176.4 | 96.7 | -3.4 | 113.4 | | |
| 317 | Y | 29.9 | Very low | 37.9 | Very low | 217 Ų | 217 | 143.5 Ų | 143.5 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | | | trans | -95.6 | 162.2 | 164.5 | -112.4 | -98.1 | 0 | 0 | 0 | 109.1 | | |
| 318 | P | 47 | Very low | 37.8 | Very low | 127 Ų | 127 | 143.6 Ų | 143.6 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | | | | -129.5 | 163.9 | 119.4 | 37.9 | -30.9 | 0 | 0 | 0 | 111.4 | | |
| 319 | G | 34.1 | Very low | 37.7 | Very low | 64 Ų | 64 | 138.5 Ų | 138.5 | 66% | 0.66 | 78% | 0.778 | S | S | * | * | | | trans | -152.3 | 174.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 320 | T | 34.3 | Very low | 38 | Very low | 126 Ų | 126 | 141.3 Ų | 141.3 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | | | trans | -159.7 | 166 | 158.7 | 49.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 321 | D | 30.5 | Very low | 38.3 | Very low | 134 Ų | 134 | 144.1 Ų | 144.1 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | | | trans | 82.7 | 93.6 | 151.1 | -54.2 | -42 | 0 | 0 | 0 | 121.9 | | |
| 322 | S | 33.3 | Very low | 38.7 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | | | | 109.1 | 129.9 | 105 | -71 | 0 | 0 | 0 | 0 | 121.8 | | |
| 323 | A | 34.9 | Very low | 38.2 | Very low | 102 Ų | 102 | 144.9 Ų | 144.9 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | | | trans | 73.7 | 105.1 | 149.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 324 | T | 36.7 | Very low | 37.4 | Very low | 129 Ų | 129 | 147 Ų | 147 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | | | trans | -75.3 | 166.9 | 144.3 | 52 | 0 | 0 | 0 | 0 | 110.3 | | |
| 325 | P | 54.9 | Low | 37.3 | Very low | 125 Ų | 125 | 142.3 Ų | 142.3 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | | | | -141.3 | 167.2 | 94.7 | 35.8 | -20.5 | 0 | 0 | 0 | 115.4 | | |
| 326 | E | 32.4 | Very low | 37.3 | Very low | 185 Ų | 185 | 141.5 Ų | 141.5 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | | | trans | -75.8 | 156 | 174.8 | -60.7 | 152 | 104.5 | 0 | 0 | 112.8 | | |
| 327 | Y | 31.9 | Very low | 37.5 | Very low | 214 Ų | 214 | 133 Ų | 133 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | | | trans | -157.2 | 128.7 | 139.8 | -160.1 | -113 | 0 | 0 | 0 | 112 | A329 | Y327-A329 HydrophobicContact CD1-CB 4.27Å; Y327-A329 HydrophobicContact CE1-CB 3.49Å; Y327-A329 VanDerWaalsContact CE1-CB 3.49Å |
| 328 | D | 35.8 | Very low | 37.8 | Very low | 146 Ų | 146 | 128.4 Ų | 128.4 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | | | trans | -121.6 | 130.8 | 171.1 | -176.6 | -60.9 | 0 | 0 | 0 | 107.8 | | |
| 329 | A | 35.1 | Very low | 37.4 | Very low | 46 Ų | 46 | 132.6 Ų | 132.6 | 38% | 0.38 | 75% | 0.753 | S | S | . | * | | | trans | -170.3 | 108.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y327 | Y327-A329 HydrophobicContact CD1-CB 4.27Å; Y327-A329 HydrophobicContact CE1-CB 3.49Å; Y327-A329 VanDerWaalsContact CE1-CB 3.49Å |
| 330 | H | 38.5 | Very low | 37.5 | Very low | 166 Ų | 166 | 133.4 Ų | 133.4 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | | | trans | 68.3 | 107.3 | 132.1 | -45.5 | -41.6 | 0 | 0 | 0 | 123.2 | | |
| 331 | H | 38.1 | Very low | 37.7 | Very low | 181 Ų | 181 | 134.2 Ų | 134.2 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | | | | -0.8 | 170.8 | 121.3 | -74.5 | -63 | 0 | 0 | 0 | 121.4 | | |
| 332 | P | 60.9 | Low | 38.2 | Very low | 102 Ų | 102 | 136.7 Ų | 136.7 | 66% | 0.662 | 77% | 0.774 | S | S | * | * | | | cis | -141.9 | -151.1 | -16.5 | 31.1 | -5.1 | 0 | 0 | 0 | 114 | | |
| 333 | L | 38.2 | Very low | 38.6 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | 93.8 | 147.4 | 160.1 | -61 | 166.1 | 0 | 0 | 0 | 118 | | |
| 334 | H | 36.9 | Very low | 38.8 | Very low | 175 Ų | 175 | 143.2 Ų | 143.2 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | | | cis | -173.2 | 153.3 | -21.5 | -169.2 | -176.7 | 0 | 0 | 0 | 109.7 | | |
| 335 | G | 31.1 | Very low | 38.6 | Very low | 68 Ų | 68 | 140.1 Ų | 140.1 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | | | trans | 103.1 | 143.9 | 156.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 336 | N | 37 | Very low | 37.8 | Very low | 160 Ų | 160 | 139.9 Ų | 139.9 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | | | | 168.5 | 127.5 | -53.2 | 178 | 36.1 | 0 | 0 | 0 | 108.9 | | |
| 337 | G | 35.6 | Very low | 38.9 | Very low | 65 Ų | 65 | 137.3 Ų | 137.3 | 67% | 0.67 | 77% | 0.771 | S | S | * | * | | | trans | 76.4 | 168.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 338 | N | 37.2 | Very low | 39.2 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 65% | 0.647 | 77% | 0.769 | S | S | * | * | | | cis | -169.6 | 164 | -18.2 | -151.6 | -8.1 | 0 | 0 | 0 | 112.5 | | |
| 339 | Y | 38.6 | Very low | 39.5 | Very low | 214 Ų | 214 | 136.6 Ų | 136.6 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | | | trans | 69.7 | 149.6 | 161.8 | -50.1 | -64.3 | 0 | 0 | 0 | 122.9 | | |
| 340 | G | 35.1 | Very low | 40 | Very low | 82 Ų | 82 | 141.5 Ų | 141.5 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | | | trans | 147.9 | 76.8 | 148.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 341 | T | 38.3 | Very low | 39.7 | Very low | 143 Ų | 143 | 136.5 Ų | 136.5 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | | | trans | -92.1 | 143 | 170.2 | 49.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 342 | H | 42.5 | Very low | 39.6 | Very low | 186 Ų | 186 | 132.1 Ų | 132.1 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | | | trans | -157 | 167.9 | 144.2 | 82.1 | -83.2 | 0 | 0 | 0 | 114.2 | | |
| 343 | M | 40.8 | Very low | 38.3 | Very low | 162 Ų | 162 | 130.6 Ų | 130.6 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | | | trans | -123.4 | -179.9 | -168 | -75.1 | -96.3 | -171.4 | 0 | 0 | 111.8 | | |
| 344 | Q | 39.5 | Very low | 38.4 | Very low | 187 Ų | 187 | 134.2 Ų | 134.2 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | | | trans | 77.9 | 149.4 | 172.4 | -42.4 | -65.1 | 3.3 | 0 | 0 | 114.9 | | |
| 345 | G | 32.4 | Very low | 38.8 | Very low | 65 Ų | 65 | 133.8 Ų | 133.8 | 67% | 0.67 | 80% | 0.803 | S | S | * | * | | | cis | 176.5 | 162.2 | -3.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 346 | S | 38.2 | Very low | 39.1 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | | | trans | -67.5 | 160.9 | 179.8 | -52.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 347 | P | 55.4 | Low | 39.2 | Very low | 132 Ų | 132 | 134.7 Ų | 134.7 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | | | | -132.5 | -178.6 | 126.5 | 37.1 | -27.3 | 0 | 0 | 0 | 114.5 | | |
| 348 | V | 37.1 | Very low | 39.6 | Very low | 130 Ų | 130 | 137.7 Ų | 137.7 | 79% | 0.788 | 81% | 0.806 | S | S | * | * | | | trans | -131.1 | 140.8 | -152.4 | 165.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 349 | Y | 43.7 | Very low | 40.4 | Very low | 215 Ų | 215 | 138.2 Ų | 138.2 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | | | trans | 40.5 | 116.4 | 147.9 | -151.5 | -84.6 | 0 | 0 | 0 | 122.3 | | |
| 350 | V | 44.5 | Very low | 40.4 | Very low | 149 Ų | 149 | 133.3 Ų | 133.3 | 90% | 0.903 | 81% | 0.813 | S | S | * | * | | | trans | -152.2 | 145.5 | 148.3 | -178.9 | 0 | 0 | 0 | 0 | 105.6 | | |
| 351 | G | 33.6 | Very low | 40.8 | Very low | 60 Ų | 60 | 135.1 Ų | 135.1 | 62% | 0.619 | 81% | 0.813 | S | S | * | * | | | cis | 155.2 | 123.1 | 1 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 352 | G | 35.2 | Very low | 40.5 | Very low | 90 Ų | 90 | 131.8 Ų | 131.8 | 93% | 0.928 | 81% | 0.807 | S | S | * | * | | | trans | -74.6 | -178.1 | -160.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 353 | G | 33.9 | Very low | 40.3 | Very low | 69 Ų | 69 | 127.6 Ų | 127.6 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | | | trans | 167.6 | 92.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 354 | Y | 39.3 | Very low | 40.4 | Very low | 227 Ų | 227 | 125 Ų | 125 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | | | trans | 60.1 | 142.4 | 134.3 | -74.7 | -78.2 | 0 | 0 | 0 | 126.4 | | |
| 355 | I | 44.9 | Very low | 40.6 | Very low | 166 Ų | 166 | 121.1 Ų | 121.1 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | | | trans | 112.4 | 136.9 | 143.4 | -80.8 | 159.3 | 0 | 0 | 0 | 120.1 | | |
| 356 | D | 39.1 | Very low | 41 | Very low | 128 Ų | 128 | 127.4 Ų | 127.4 | 68% | 0.684 | 80% | 0.8 | S | S | * | * | | | trans | -97.7 | 155.3 | -167.2 | -164.2 | -60.7 | 0 | 0 | 0 | 111.4 | | |
| 357 | S | 38 | Very low | 41 | Very low | 119 Ų | 119 | 125.3 Ų | 125.3 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | | | trans | -169.2 | 104.3 | 153.6 | -82.8 | 0 | 0 | 0 | 0 | 112 | | |
| 358 | V | 44 | Very low | 40.4 | Very low | 128 Ų | 128 | 126.7 Ų | 126.7 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | | | trans | -89.7 | 156.3 | 153.8 | -69.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 359 | P | 55.2 | Low | 40.4 | Very low | 131 Ų | 131 | 126.2 Ų | 126.2 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | | | | -133.7 | 166.8 | 122.2 | 35.6 | -25.7 | 0 | 0 | 0 | 114.5 | | |
| 360 | S | 36.8 | Very low | 40.3 | Very low | 111 Ų | 111 | 123.9 Ų | 123.9 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | trans | -114.7 | -179.6 | -168.1 | -173.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 361 | S | 44.2 | Very low | 40.3 | Very low | 121 Ų | 121 | 124 Ų | 124 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | | | trans | 88.9 | 139.2 | 169.5 | -33 | 0 | 0 | 0 | 0 | 116.8 | | |
| 362 | G | 33.3 | Very low | 40.9 | Very low | 73 Ų | 73 | 126.1 Ų | 126.1 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | | | cis | 171.4 | 142.6 | -9.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 363 | A | 38.2 | Very low | 41.3 | Very low | 97 Ų | 97 | 130 Ų | 130 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | | | trans | 52.3 | 144.8 | 143.9 | 0 | 0 | 0 | 0 | 0 | 125.4 | | |
| 364 | S | 42.3 | Very low | 42.2 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | | | trans | 82 | 147 | 135.9 | -78.1 | 0 | 0 | 0 | 0 | 122.2 | | |
| 365 | V | 43.8 | Very low | 43 | Very low | 105 Ų | 105 | 126.9 Ų | 126.9 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | | | cis | -161.3 | 165.2 | -33.1 | -94.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 366 | F | 40.3 | Very low | 43.5 | Very low | 196 Ų | 196 | 124.8 Ų | 124.8 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | | | trans | 75.4 | 146.3 | 166.4 | -53.6 | -63.5 | 0 | 0 | 0 | 118.7 | | |
| 367 | G | 37.8 | Very low | 44.2 | Very low | 75 Ų | 75 | 124.3 Ų | 124.3 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | | | cis | -140.3 | 176.2 | 11.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 368 | L | 42.5 | Very low | 44.1 | Very low | 161 Ų | 161 | 124.2 Ų | 124.2 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | | | trans | -98.6 | 178.1 | -167.2 | -97.1 | 118.1 | 0 | 0 | 0 | 115.1 | | |
| 369 | T | 36.9 | Very low | 43.7 | Very low | 120 Ų | 120 | 123.1 Ų | 123.1 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | | | trans | 84 | 136.8 | 172.1 | 81.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 370 | H | 42.5 | Very low | 42.6 | Very low | 166 Ų | 166 | 122.7 Ų | 122.7 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | | | cis | -161.4 | 149.5 | -0.8 | 38.4 | -82.5 | 0 | 0 | 0 | 109.9 | | |
| 371 | L | 44.1 | Very low | 43.2 | Very low | 152 Ų | 152 | 125.7 Ų | 125.7 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | | | trans | -77 | 148.9 | 168.8 | -97.1 | 116.7 | 0 | 0 | 0 | 110.2 | | |
| 372 | P | 46.2 | Very low | 42.7 | Very low | 104 Ų | 104 | 128.1 Ų | 128.1 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | | | | -151.8 | 146.9 | 80.7 | 37.8 | -18.2 | 0 | 0 | 0 | 118.8 | | |
| 373 | H | 44.8 | Very low | 42.8 | Very low | 171 Ų | 171 | 134.1 Ų | 134.1 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | | | trans | 50.9 | 154.4 | 140.4 | -66.1 | -60.1 | 0 | 0 | 0 | 124.2 | | |
| 374 | P | 52.3 | Low | 42.7 | Very low | 109 Ų | 109 | 136 Ų | 136 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | | | trans | -104.1 | 162.3 | -161.2 | 40.5 | -35.1 | 0 | 0 | 0 | 115.5 | | |
| 375 | P | 55.8 | Low | 42.2 | Very low | 123 Ų | 123 | 134.3 Ų | 134.3 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | | | trans | -91.5 | 143.6 | 171.8 | 35.2 | -32.8 | 0 | 0 | 0 | 113.9 | | |
| 376 | P | 55.7 | Low | 42 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | | | trans | -89.7 | 177.1 | 163.4 | 37.9 | -33.7 | 0 | 0 | 0 | 111.8 | | |
| 377 | P | 54 | Low | 41.8 | Very low | 118 Ų | 118 | 132.7 Ų | 132.7 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | | | trans | -103.7 | -176.5 | -155.5 | 40.7 | -37.6 | 0 | 0 | 0 | 116 | | |
| 378 | S | 34.6 | Very low | 41.8 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | | | trans | 84.5 | 116 | 158.4 | 73.7 | 0 | 0 | 0 | 0 | 119.4 | | |
| 379 | A | 35.7 | Very low | 41.7 | Very low | 104 Ų | 104 | 136.8 Ų | 136.8 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | | | trans | 178.9 | 112.4 | 133.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 380 | S | 33.8 | Very low | 41.5 | Very low | 123 Ų | 123 | 134.8 Ų | 134.8 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | | | trans | -160.9 | 73.5 | 161.1 | 50.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 381 | M | 47.7 | Very low | 41.4 | Very low | 174 Ų | 174 | 134.6 Ų | 134.6 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | | | trans | -69 | 147.8 | 131.4 | -79.4 | 138.5 | 166.1 | 0 | 0 | 106.6 | | |
| 382 | E | 34.9 | Very low | 41 | Very low | 171 Ų | 171 | 132.8 Ų | 132.8 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | | | cis | -161.4 | 149.1 | 19.2 | -126.4 | 162 | -165 | 0 | 0 | 110.8 | | |
| 383 | Y | 35.1 | Very low | 40.4 | Very low | 200 Ų | 200 | 131.6 Ų | 131.6 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | | | trans | 72 | 147.8 | 131 | -153.6 | -126.5 | 0 | 0 | 0 | 123.5 | | |
| 384 | N | 36.5 | Very low | 39.9 | Very low | 136 Ų | 136 | 126.6 Ų | 126.6 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | | | trans | 69.5 | 143.2 | 170.7 | -80.6 | -33 | 0 | 0 | 0 | 121 | | |
| 385 | G | 31.7 | Very low | 39.2 | Very low | 74 Ų | 74 | 129.5 Ų | 129.5 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | | | trans | 127.6 | 73.1 | 158.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 386 | A | 38.7 | Very low | 38.3 | Very low | 104 Ų | 104 | 131.2 Ų | 131.2 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | | | trans | -72.8 | 131.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 387 | I | 35.9 | Very low | 37.3 | Very low | 163 Ų | 163 | 133.4 Ų | 133.4 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | | | trans | -143.1 | 145.8 | 161.6 | -87.1 | -153.6 | 0 | 0 | 0 | 112.3 | | |
| 388 | T | 39.1 | Very low | 36.3 | Very low | 125 Ų | 125 | 131.5 Ų | 131.5 | 77% | 0.767 | 81% | 0.808 | S | S | * | * | | | trans | -46.7 | 156.7 | -173 | 47.9 | 0 | 0 | 0 | 0 | 119.7 | | |
| 389 | M | 39.2 | Very low | 36.6 | Very low | 196 Ų | 196 | 132.1 Ų | 132.1 | 97% | 0.966 | 81% | 0.807 | S | S | * | * | | | trans | -59.8 | 142.3 | 160.9 | -65.4 | -149.7 | -77.1 | 0 | 0 | 112.4 | | |
| 390 | G | 34.3 | Very low | 36.7 | Very low | 79 Ų | 79 | 133.2 Ų | 133.2 | 81% | 0.814 | 81% | 0.807 | S | S | * | * | | | trans | -133.4 | 129 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 391 | N | 38.7 | Very low | 37 | Very low | 162 Ų | 162 | 135.3 Ų | 135.3 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | | | trans | -120.5 | 123.6 | -171.9 | 172.2 | 51 | 0 | 0 | 0 | 111.5 | | |
| 392 | S | 36.8 | Very low | 36.6 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | | | trans | -167.7 | 125.7 | 168.8 | 51.7 | 0 | 0 | 0 | 0 | 106.7 | | |
| 393 | G | 34.2 | Very low | 37.1 | Very low | 78 Ų | 78 | 129.6 Ų | 129.6 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | cis | 90.7 | 111.7 | 28.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 394 | G | 34.2 | Very low | 37.8 | Very low | 67 Ų | 67 | 126.2 Ų | 126.2 | 69% | 0.691 | 81% | 0.808 | S | S | * | * | | | cis | 176 | 175.8 | -6.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 395 | Q | 36.3 | Very low | 38.1 | Very low | 169 Ų | 169 | 125.8 Ų | 125.8 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | | | trans | 64.9 | 153.9 | 164.3 | -46.2 | 177.4 | -42.9 | 0 | 0 | 116.8 | | |
| 396 | H | 36.5 | Very low | 38.1 | Very low | 160 Ų | 160 | 131.5 Ų | 131.5 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | | | cis | -145.8 | 152.4 | 16.9 | -84.3 | -87.6 | 0 | 0 | 0 | 114.3 | | |
| 397 | H | 34.9 | Very low | 38.5 | Very low | 167 Ų | 167 | 132.2 Ų | 132.2 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | | | trans | 43.3 | 124.6 | 148.4 | -77.8 | -94.3 | 0 | 0 | 0 | 124.5 | | |
| 398 | G | 33.7 | Very low | 38.4 | Very low | 77 Ų | 77 | 128.6 Ų | 128.6 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | | | trans | -167.1 | 126.8 | 151.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 399 | V | 40.9 | Very low | 38.5 | Very low | 132 Ų | 132 | 130.1 Ų | 130.1 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | | | trans | -105.4 | 124.7 | -172.1 | 173 | 0 | 0 | 0 | 0 | 111.3 | | |
| 400 | C | 38.6 | Very low | 38.8 | Very low | 126 Ų | 126 | 125.4 Ų | 125.4 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | | | trans | -165.8 | 122 | 151.9 | 45.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 401 | D | 38.7 | Very low | 39.3 | Very low | 168 Ų | 168 | 127.3 Ų | 127.3 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | | | trans | -79.7 | 135.4 | 166.1 | -87.3 | -70.9 | 0 | 0 | 0 | 111.1 | | |
| 402 | A | 39.2 | Very low | 39.6 | Very low | 99 Ų | 99 | 128.1 Ų | 128.1 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | -156 | 138.6 | 154.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 403 | T | 45.7 | Very low | 39.6 | Very low | 125 Ų | 125 | 133 Ų | 133 | 77% | 0.767 | 77% | 0.77 | S | S | * | * | | | trans | -75.3 | 152.6 | -166.3 | 46.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 404 | P | 50.8 | Low | 39.9 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | | | trans | -91.1 | 104 | 170.4 | 34 | -30.1 | 0 | 0 | 0 | 111.5 | Y406 | P404-Y406 PolarHBondContact O-N 3.06Š|
| 405 | T | 42 | Very low | 40.2 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | | | trans | -85.4 | 110.7 | 172.2 | -55.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 406 | Y | 33 | Very low | 40.5 | Very low | 194 Ų | 194 | 135.6 Ų | 135.6 | 76% | 0.761 | 77% | 0.774 | S | S | * | * | | | trans | -75.2 | 117 | 176.1 | 175 | -90.1 | 0 | 0 | 0 | 111.1 | P404 D408 | P404-Y406 PolarHBondContact O-N 3.06Å; Y406-D408 HydrophobicContact CD1-CB 4.15Å; Y406-D408 HydrophobicContact CE1-CB 3.78Å; Y406-D408 PolarHBondContact O-N 3.1Å |
| 407 | T | 46.8 | Very low | 40.6 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 73% | 0.73 | 78% | 0.782 | S | S | * | * | | | trans | -84.2 | 93.6 | 175.1 | -51.3 | 0 | 0 | 0 | 0 | 110.8 | L409 | T407-L409 HydrophobicContact CG2-CG 4.45Š|
| 408 | D | 33.9 | Very low | 41 | Very low | 87 Ų | 87 | 139 Ų | 139 | 47% | 0.465 | 78% | 0.783 | S | S | . | * | | | trans | -73.3 | 137.8 | 165.8 | -162.3 | -88.7 | 0 | 0 | 0 | 110.7 | Y406 T410 | Y406-D408 HydrophobicContact CD1-CB 4.15Å; Y406-D408 HydrophobicContact CE1-CB 3.78Å; Y406-D408 PolarHBondContact O-N 3.1Å; D408-T410 WeakPolarHBondContact OD1-CB 3.47Å; D408-T410 PolarHBondContact OD1-N 3Å; D408-T410 VanDerWaalsContact OD1-N 3.12Å; D408-T410 PolarHBondContact OD1-OG1 3.46Å |
| 409 | L | 40.1 | Very low | 41.5 | Very low | 158 Ų | 158 | 144 Ų | 144 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | | | trans | -126.2 | 73 | 174.2 | -82.9 | 168.7 | 0 | 0 | 0 | 110.4 | T407 P411 | T407-L409 HydrophobicContact CG2-CG 4.45Å; L409-P411 WeakPolarHBondContact O-CD 3.43Å |
| 410 | T | 45.6 | Very low | 41.9 | Very low | 96 Ų | 96 | 146.4 Ų | 146.4 | 59% | 0.589 | 79% | 0.789 | S | S | * | * | | | trans | -86.5 | 117.4 | 168.6 | -66.6 | 0 | 0 | 0 | 0 | 110.9 | D408 H412 | D408-T410 WeakPolarHBondContact OD1-CB 3.47Å; D408-T410 PolarHBondContact OD1-N 3Å; D408-T410 VanDerWaalsContact OD1-N 3.12Å; D408-T410 PolarHBondContact OD1-OG1 3.46Å; T410-H412 PolarHBondContact O-N 3.48Å |
| 411 | P | 44.9 | Very low | 42.6 | Very low | 120 Ų | 120 | 144.6 Ų | 144.6 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | | | trans | -83.1 | 113.9 | 178.3 | 31.4 | -32.1 | 0 | 0 | 0 | 111.4 | L409 Y413 | L409-P411 WeakPolarHBondContact O-CD 3.43Å; P411-Y413 PolarHBondContact O-N 3.29Å |
| 412 | H | 46 | Very low | 43.5 | Very low | 179 Ų | 179 | 142.7 Ų | 142.7 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | | | trans | -70.9 | 127.6 | 172.9 | -92.1 | -91.5 | 0 | 0 | 0 | 112.2 | T410 S414 | T410-H412 PolarHBondContact O-N 3.48Å; H412-S414 PolarHBondContact O-N 3.14Å |
| 413 | Y | 36.3 | Very low | 44.2 | Very low | 217 Ų | 217 | 147.3 Ų | 147.3 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | | | trans | -78.8 | 111.1 | 172 | -172.6 | -88.6 | 0 | 0 | 0 | 109.4 | P411 | P411-Y413 PolarHBondContact O-N 3.29Š|
| 414 | S | 39.8 | Very low | 44.6 | Very low | 109 Ų | 109 | 148.8 Ų | 148.8 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | | | trans | -79.4 | 130.2 | 178.4 | 47 | 0 | 0 | 0 | 0 | 111.8 | H412 G416 | H412-S414 PolarHBondContact O-N 3.14Å; S414-G416 PolarHBondContact O-N 3.41Å; S414-G416 VanDerWaalsContact O-N 3.14Å |
| 415 | Q | 41.6 | Very low | 45.3 | Very low | 190 Ų | 190 | 148.6 Ų | 148.6 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | | | trans | -70.6 | 105.6 | 173.9 | -74.2 | -179.8 | -45.7 | 0 | 0 | 110.4 | R417 | Q415-R417 PolarHBondContact O-N 3.32Š|
| 416 | G | 41.1 | Very low | 46.3 | Very low | 69 Ų | 69 | 151 Ų | 151 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | | | trans | -72.8 | 115.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S414 I418 | S414-G416 PolarHBondContact O-N 3.41Å; S414-G416 VanDerWaalsContact O-N 3.14Å; G416-I418 PolarHBondContact O-N 3.3Å |
| 417 | R | 38.5 | Very low | 47 | Very low | 240 Ų | 240 | 153.4 Ų | 153.4 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 117.7 | 172.8 | -175.3 | 178.9 | -174.1 | 165.9 | 0.9 | 110.2 | Q415 Q419 | Q415-R417 PolarHBondContact O-N 3.32Å; R417-Q419 PolarHBondContact O-N 3.26Å |
| 418 | I | 43.4 | Very low | 47 | Very low | 157 Ų | 157 | 155.2 Ų | 155.2 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 119.9 | 177.4 | -56.1 | 168 | 0 | 0 | 0 | 108.1 | G416 | G416-I418 PolarHBondContact O-N 3.3Š|
| 419 | Q | 45.2 | Very low | 47.7 | Very low | 182 Ų | 182 | 158.7 Ų | 158.7 | 85% | 0.85 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 129.7 | 162.2 | -67.6 | -177.6 | 24.9 | 0 | 0 | 107.7 | R417 | R417-Q419 PolarHBondContact O-N 3.26Š|
| 420 | E | 48.9 | Very low | 48.1 | Very low | 183 Ų | 183 | 158.8 Ų | 158.8 | 86% | 0.855 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 144.6 | -178.6 | -60 | -153.2 | 140.3 | 0 | 0 | 111.7 | | |
| 421 | A | 52.6 | Low | 48.3 | Very low | 89 Ų | 89 | 162.5 Ų | 162.5 | 74% | 0.736 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 136.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | K423 | A421-K423 PolarHBondContact O-N 3.02Š|
| 422 | P | 58.6 | Low | 48.5 | Very low | 127 Ų | 127 | 165.1 Ų | 165.1 | 83% | 0.825 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -59 | 125.2 | 174.3 | -24.2 | 34.3 | 0 | 0 | 0 | 111.6 | L424 | P422-L424 PolarHBondContact O-N 3.18Š|
| 423 | K | 53.4 | Low | 48.6 | Very low | 196 Ų | 196 | 164.2 Ų | 164.2 | 85% | 0.852 | 85% | 0.849 | S | S | * | * | | | trans | -79.5 | 107.4 | -177 | -153.3 | 172 | -170.5 | 174.4 | 0 | 109.2 | A421 T425 | A421-K423 PolarHBondContact O-N 3.02Å; K423-T425 PolarHBondContact O-N 3.41Å |
| 424 | L | 54.3 | Low | 49.5 | Very low | 157 Ų | 157 | 160.4 Ų | 160.4 | 82% | 0.822 | 85% | 0.849 | S | S | * | * | | | trans | -70.7 | 97.3 | 176.6 | -135.2 | 88.7 | 0 | 0 | 0 | 109.6 | P422 | P422-L424 PolarHBondContact O-N 3.18Š|
| 425 | T | 65.3 | Low | 50.3 | Low | 124 Ų | 124 | 164.4 Ų | 164.4 | 76% | 0.761 | 86% | 0.855 | S | S | * | * | | | trans | -84.2 | 112.4 | 167.7 | 49 | 0 | 0 | 0 | 0 | 108.9 | K423 | K423-T425 PolarHBondContact O-N 3.41Š|
| 426 | H | 62.6 | Low | 51 | Low | 178 Ų | 178 | 162.3 Ų | 162.3 | 82% | 0.824 | 85% | 0.852 | S | S | * | * | | | trans | -63.1 | 129.8 | 168.4 | -94.3 | -93.5 | 0 | 0 | 0 | 110.8 | | |
| 427 | L | 47.8 | Very low | 51.9 | Low | 245 Ų | 245 | 170.7 Ų | 170.7 | 100% | 1.283 | 87% | 0.865 | S | S | * | * | | | trans | -150 | 0 | 152.1 | -101.5 | 162.8 | 0 | 0 | 0 | 107.2 | | |