| 1 | M | 47.5 | Very low | 51.9 | Low | 239 Ų | 239 | 150.2 Ų | 150.2 | 100% | 1.177 | 82% | 0.823 | S | S | * | * | | | | 0 | 154.9 | 0 | -76.1 | -175.7 | 160.6 | 0 | 0 | 108.3 | | |
| 2 | N | 53.5 | Low | 51.9 | Low | 160 Ų | 160 | 148.1 Ų | 148.1 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | | | trans | -73.6 | 142.6 | -142.3 | -60.9 | -10 | 0 | 0 | 0 | 115.3 | | |
| 3 | S | 45.9 | Very low | 52 | Low | 114 Ų | 114 | 146.4 Ų | 146.4 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | | | trans | -86 | 134.7 | 160.8 | -42.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 4 | D | 59.2 | Low | 52.1 | Low | 157 Ų | 157 | 143.4 Ų | 143.4 | 84% | 0.84 | 82% | 0.82 | S | S | * | * | | | trans | -145.8 | 113 | 159.5 | -100.2 | -47 | 0 | 0 | 0 | 109.7 | | |
| 5 | A | 45.3 | Very low | 52.7 | Low | 107 Ų | 107 | 142.3 Ų | 142.3 | 88% | 0.884 | 82% | 0.82 | S | S | * | * | | | trans | -125.1 | 104 | 169.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 6 | S | 54.4 | Low | 52.9 | Low | 108 Ų | 108 | 144.1 Ų | 144.1 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | | | trans | -121.3 | 100.8 | -178.8 | -165 | 0 | 0 | 0 | 0 | 111.5 | | |
| 7 | L | 54.3 | Low | 52.6 | Low | 152 Ų | 152 | 143.7 Ų | 143.7 | 80% | 0.796 | 82% | 0.816 | S | S | * | * | | | trans | 17.8 | 114.7 | 144.7 | -67.7 | 161.6 | 0 | 0 | 0 | 118.3 | T9 | L7-T9 PolarHBondContact O-N 3.33Š|
| 8 | Y | 43.4 | Very low | 52.5 | Low | 213 Ų | 213 | 141.4 Ų | 141.4 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | | | trans | -74.5 | 113.9 | 160.2 | -167.7 | -93.3 | 0 | 0 | 0 | 109.5 | | |
| 9 | T | 59.5 | Low | 51.9 | Low | 100 Ų | 100 | 142.5 Ų | 142.5 | 61% | 0.613 | 80% | 0.803 | S | S | * | * | | | trans | -110.9 | 114.1 | 173.2 | 51.2 | 0 | 0 | 0 | 0 | 111.1 | L7 H11 | L7-T9 PolarHBondContact O-N 3.33Å; T9-H11 PolarHBondContact O-N 2.93Å |
| 10 | D | 42.3 | Very low | 51.7 | Low | 134 Ų | 134 | 144.3 Ų | 144.3 | 72% | 0.717 | 80% | 0.804 | S | S | * | * | | | trans | -57.2 | 134.4 | 166.3 | -82.3 | -60.2 | 0 | 0 | 0 | 110.9 | | |
| 11 | H | 65.5 | Low | 51.2 | Low | 168 Ų | 168 | 143.5 Ų | 143.5 | 78% | 0.778 | 80% | 0.803 | S | S | * | * | | | trans | -124.7 | 104.7 | 171.9 | -86.4 | 18.9 | 0 | 0 | 0 | 110 | T9 | T9-H11 PolarHBondContact O-N 2.93Š|
| 12 | C | 51.6 | Low | 51.2 | Low | 125 Ų | 125 | 137.1 Ų | 137.1 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | | | trans | -66.4 | 133 | 173.2 | -62.6 | 0 | 0 | 0 | 0 | 110.9 | S14 | C12-S14 PolarHBondContact O-N 3.39Š|
| 13 | C | 53.9 | Low | 50.7 | Low | 126 Ų | 126 | 136.5 Ų | 136.5 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | | | trans | -66 | 128.9 | -174.9 | -171.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 14 | S | 53.8 | Low | 50.5 | Low | 105 Ų | 105 | 142.3 Ų | 142.3 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | | | trans | -124.4 | 130.4 | 162.4 | -76.6 | 0 | 0 | 0 | 0 | 109.3 | C12 | C12-S14 PolarHBondContact O-N 3.39Š|
| 15 | P | 60.6 | Low | 49.7 | Very low | 127 Ų | 127 | 138.2 Ų | 138.2 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | | | trans | -79 | 125.1 | -173.3 | 30.3 | -33.4 | 0 | 0 | 0 | 111.7 | | |
| 16 | M | 54.9 | Low | 49.3 | Very low | 171 Ų | 171 | 138.7 Ų | 138.7 | 84% | 0.842 | 78% | 0.783 | S | S | * | * | | | trans | -73.5 | 130 | 172.5 | -70.4 | -153.6 | 77.4 | 0 | 0 | 112 | V18 | M16-V18 HydrophobicContact CB-CG2 4.48Š|
| 17 | N | 48.4 | Very low | 49.1 | Very low | 137 Ų | 137 | 143.9 Ų | 143.9 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | | | trans | -88.4 | 108.8 | 164.5 | 177.2 | 34.9 | 0 | 0 | 0 | 109 | | |
| 18 | V | 51.8 | Low | 48.5 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 62% | 0.624 | 79% | 0.785 | S | S | * | * | | | trans | -96.2 | 106.1 | 179.1 | 178.9 | 0 | 0 | 0 | 0 | 109.8 | M16 | M16-V18 HydrophobicContact CB-CG2 4.48Š|
| 19 | Q | 39.6 | Very low | 48.6 | Very low | 162 Ų | 162 | 135.7 Ų | 135.7 | 76% | 0.757 | 78% | 0.783 | S | S | * | * | | | trans | -86.3 | 119 | 161.5 | -70.6 | -174.8 | -16.6 | 0 | 0 | 108.8 | | |
| 20 | H | 48.8 | Very low | 47.7 | Very low | 177 Ų | 177 | 138 Ų | 138 | 82% | 0.819 | 79% | 0.791 | S | S | * | * | | | trans | -113.6 | 110.7 | 162.7 | -106.5 | -76.6 | 0 | 0 | 0 | 110.1 | | |
| 21 | T | 40.2 | Very low | 47.7 | Very low | 128 Ų | 128 | 135.7 Ų | 135.7 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | | | trans | -79.7 | 134.1 | 168.4 | 51.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 22 | A | 48 | Very low | 46.6 | Very low | 105 Ų | 105 | 133 Ų | 133 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | | | trans | -140.6 | 138.6 | 158.9 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 23 | N | 42.3 | Very low | 46.3 | Very low | 147 Ų | 147 | 131.6 Ų | 131.6 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | | | trans | -135.2 | 115.1 | -160.8 | 176.7 | 22.6 | 0 | 0 | 0 | 110.5 | | |
| 24 | Y | 41.9 | Very low | 45.7 | Very low | 237 Ų | 237 | 134.2 Ų | 134.2 | 93% | 0.929 | 78% | 0.783 | S | S | * | * | | | trans | -156.4 | 140.6 | 167.9 | -81.2 | -83.2 | 0 | 0 | 0 | 107.1 | | |
| 25 | G | 42.3 | Very low | 45.3 | Very low | 70 Ų | 70 | 133.9 Ų | 133.9 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | | | cis | 169.8 | 126.7 | -4.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 26 | S | 38.9 | Very low | 44.7 | Very low | 118 Ų | 118 | 132.7 Ų | 132.7 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | | | trans | -74 | 150.7 | -168 | -56.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 27 | K | 50 | Low | 44.2 | Very low | 216 Ų | 216 | 134.1 Ų | 134.1 | 94% | 0.939 | 78% | 0.777 | S | S | * | * | | | trans | 142.7 | 144.1 | 153 | -80.7 | 161.2 | -174.7 | -175 | 0 | 108.7 | | |
| 28 | G | 41.6 | Very low | 44.2 | Very low | 63 Ų | 63 | 131.9 Ų | 131.9 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | | | cis | 159.3 | 121.6 | -4.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 29 | T | 45.5 | Very low | 43.9 | Very low | 130 Ų | 130 | 133.2 Ų | 133.2 | 80% | 0.798 | 79% | 0.788 | S | S | * | * | | | trans | 64.8 | 134.5 | 157.8 | 58.5 | 0 | 0 | 0 | 0 | 122.4 | | |
| 30 | N | 40.5 | Very low | 43.9 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | | | trans | 86.8 | 107.9 | 141.8 | -62.1 | -8.6 | 0 | 0 | 0 | 122.5 | | |
| 31 | A | 41.6 | Very low | 43.5 | Very low | 86 Ų | 86 | 137.6 Ų | 137.6 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | | | | 74.6 | 116.9 | 116.9 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 32 | S | 42 | Very low | 43.6 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | | | trans | 84.4 | 138.9 | 133.6 | -60.8 | 0 | 0 | 0 | 0 | 122 | | |
| 33 | S | 45.5 | Very low | 43 | Very low | 96 Ų | 96 | 135.4 Ų | 135.4 | 67% | 0.671 | 79% | 0.787 | S | S | * | * | | | trans | 62.8 | 108.3 | 150.7 | 50.1 | 0 | 0 | 0 | 0 | 120 | | |
| 34 | E | 41.8 | Very low | 43.3 | Very low | 180 Ų | 180 | 140.2 Ų | 140.2 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | | | | 77.5 | 114.5 | 124.2 | -78.2 | 169 | 100.2 | 0 | 0 | 122.3 | | |
| 35 | S | 46.2 | Very low | 43.2 | Very low | 98 Ų | 98 | 135.8 Ų | 135.8 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | | | | 85.6 | 115.5 | 116.3 | -157.6 | 0 | 0 | 0 | 0 | 119.6 | | |
| 36 | S | 48.2 | Very low | 43 | Very low | 103 Ų | 103 | 137.9 Ų | 137.9 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | | | trans | 86.4 | 125.3 | 137.4 | -66.9 | 0 | 0 | 0 | 0 | 121.6 | | |
| 37 | K | 44.3 | Very low | 43.1 | Very low | 201 Ų | 201 | 137.9 Ų | 137.9 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | | | trans | 75.5 | 104.1 | 140.6 | -86.2 | 177.6 | 172.4 | 172.7 | 0 | 120 | | |
| 38 | A | 47.8 | Very low | 42.4 | Very low | 89 Ų | 89 | 135 Ų | 135 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | | | | 100.7 | 147.4 | 115.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 39 | P | 45.7 | Very low | 42.4 | Very low | 131 Ų | 131 | 137 Ų | 137 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | | | trans | -107.1 | 150.7 | -159.5 | 38.7 | -29.6 | 0 | 0 | 0 | 112.9 | | |
| 40 | Y | 39.8 | Very low | 42.2 | Very low | 219 Ų | 219 | 135.1 Ų | 135.1 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | | | trans | -122.8 | 132 | 162.3 | 64.5 | -86.5 | 0 | 0 | 0 | 110.6 | | |
| 41 | K | 38.7 | Very low | 42.3 | Very low | 212 Ų | 212 | 134.9 Ų | 134.9 | 92% | 0.922 | 78% | 0.782 | S | S | * | * | | | trans | -79.7 | 140.9 | 172.2 | -69.9 | -176.5 | 174.6 | -176.8 | 0 | 109.3 | | |
| 42 | A | 42.9 | Very low | 42.5 | Very low | 91 Ų | 91 | 138.5 Ų | 138.5 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | | | trans | -134.3 | 113.8 | 157.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 43 | S | 34.8 | Very low | 42.3 | Very low | 97 Ų | 97 | 142.1 Ų | 142.1 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | | | trans | -79.2 | 138.1 | 177.9 | -174.2 | 0 | 0 | 0 | 0 | 110.8 | N45 | S43-N45 PolarHBondContact OG-OD1 3.28Š|
| 44 | R | 48.7 | Very low | 42.3 | Very low | 247 Ų | 247 | 143.1 Ų | 143.1 | 93% | 0.932 | 79% | 0.789 | S | S | * | * | | | trans | -138.8 | 129.7 | 154.1 | -66.4 | -166.7 | -172.4 | -157 | 3.1 | 108.7 | | |
| 45 | N | 41 | Very low | 42.3 | Very low | 144 Ų | 144 | 136.2 Ų | 136.2 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | | | trans | -90.5 | 174 | -172.1 | -63.3 | -27.4 | 0 | 0 | 0 | 112.4 | S43 | S43-N45 PolarHBondContact OG-OD1 3.28Š|
| 46 | S | 36.6 | Very low | 43.1 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | | | trans | 88.4 | 145 | 164.2 | -122.7 | 0 | 0 | 0 | 0 | 116.7 | | |
| 47 | P | 42.9 | Very low | 43.6 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | | | | -129.1 | 139.8 | -82.9 | 31.6 | -15.5 | 0 | 0 | 0 | 113.2 | | |
| 48 | D | 35 | Very low | 44.2 | Very low | 154 Ų | 154 | 136.3 Ų | 136.3 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | | | trans | -87.8 | 125.4 | -178.2 | -167.7 | 6.6 | 0 | 0 | 0 | 112.2 | S50 | D48-S50 PolarHBondContact O-N 3.28Š|
| 49 | S | 40 | Very low | 44.8 | Very low | 107 Ų | 107 | 135.9 Ų | 135.9 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | | | trans | -90.9 | 71.8 | -177.4 | 52 | 0 | 0 | 0 | 0 | 111 | V51 | S49-V51 PolarHBondContact O-N 3.42Š|
| 50 | S | 41.6 | Very low | 45.5 | Very low | 90 Ų | 90 | 135.4 Ų | 135.4 | 63% | 0.629 | 73% | 0.725 | S | S | * | * | | | trans | -66.9 | 106 | -179.8 | 64 | 0 | 0 | 0 | 0 | 112.7 | D48 Q52 | D48-S50 PolarHBondContact O-N 3.28Å; S50-Q52 PolarHBondContact O-N 3.39Å; S50-Q52 VanDerWaalsContact O-N 3.16Å |
| 51 | V | 44.1 | Very low | 46.4 | Very low | 143 Ų | 143 | 131.2 Ų | 131.2 | 87% | 0.867 | 71% | 0.713 | S | S | * | * | | | trans | -72.9 | 101.7 | 170.8 | 178.1 | 0 | 0 | 0 | 0 | 108.8 | S49 F53 | S49-V51 PolarHBondContact O-N 3.42Å; V51-F53 PolarHBondContact O-N 3.22Å |
| 52 | Q | 45.7 | Very low | 47.3 | Very low | 162 Ų | 162 | 129 Ų | 129 | 76% | 0.757 | 70% | 0.699 | S | S | * | * | | | trans | -72.9 | 119.6 | 178 | -75.5 | -159.9 | 3.2 | 0 | 0 | 112.4 | S50 T54 | S50-Q52 PolarHBondContact O-N 3.39Å; S50-Q52 VanDerWaalsContact O-N 3.16Å; Q52-T54 PolarHBondContact O-N 2.74Å |
| 53 | F | 36.7 | Very low | 48 | Very low | 187 Ų | 187 | 131.9 Ų | 131.9 | 82% | 0.82 | 69% | 0.694 | S | S | * | * | | | trans | -73.4 | 100.1 | 173.3 | 179.2 | -93.4 | 0 | 0 | 0 | 110.9 | V51 G55 | V51-F53 PolarHBondContact O-N 3.22Å; F53-G55 VanDerWaalsContact C-N 3.29Å; F53-G55 PolarHBondContact O-N 3.35Å |
| 54 | T | 46.1 | Very low | 49.4 | Very low | 118 Ų | 118 | 135.8 Ų | 135.8 | 72% | 0.724 | 69% | 0.694 | S | S | * | * | | | trans | -90.7 | 36 | 178.4 | 52.3 | 0 | 0 | 0 | 0 | 114 | Q52 I56 | Q52-T54 PolarHBondContact O-N 2.74Å; T54-I56 PolarHBondContact O-N 3.24Å |
| 55 | G | 42 | Very low | 49.9 | Very low | 35 Ų | 35 | 128.2 Ų | 128.2 | 36% | 0.361 | 68% | 0.684 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.1 | 103.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F53 | F53-G55 VanDerWaalsContact C-N 3.29Å; F53-G55 PolarHBondContact O-N 3.35Å |
| 56 | I | 62.4 | Low | 50.8 | Low | 143 Ų | 143 | 128 Ų | 128 | 73% | 0.733 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -168.5 | -36.7 | 158 | -97.5 | 143.5 | 0 | 0 | 0 | 111.1 | T54 | T54-I56 PolarHBondContact O-N 3.24Š|
| 57 | K | 58.8 | Low | 52 | Low | 171 Ų | 171 | 128.5 Ų | 128.5 | 74% | 0.743 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -38.6 | -171.7 | -67.2 | -179.5 | -179.7 | 176.1 | 0 | 113.7 | V59 Q60 | K57-V59 PolarHBondContact O-N 2.94Å; K57-Q60 PolarHBondContact O-N 3.23Å |
| 58 | D | 56.9 | Low | 52.5 | Low | 90 Ų | 90 | 128.8 Ų | 128.8 | 48% | 0.481 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -62.5 | -14.2 | -178.8 | -53.4 | -64 | 0 | 0 | 0 | 114.9 | R62 | D58-R62 WeakPolarHBondContact O-CB 3.48Å; D58-R62 WeakPolarHBondContact O-CG 3.28Å; D58-R62 PolarHBondContact O-NE 3.42Å |
| 59 | V | 60.2 | Low | 53.4 | Low | 80 Ų | 80 | 127.7 Ų | 127.7 | 49% | 0.485 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -81.1 | -29.3 | 178.7 | -177.1 | 0 | 0 | 0 | 0 | 111 | K57 K63 | K57-V59 PolarHBondContact O-N 2.94Å; V59-K63 PolarHBondContact O-N 3.12Å |
| 60 | Q | 60.5 | Low | 54.4 | Low | 120 Ų | 120 | 130.4 Ų | 130.4 | 56% | 0.561 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -76.2 | -37.6 | -178.4 | -153.7 | 81.3 | -5 | 0 | 0 | 111.6 | K57 K63 R64 | K57-Q60 PolarHBondContact O-N 3.23Å; Q60-K63 PolarHBondContact O-N 2.97Å; Q60-R64 PolarHBondContact O-N 3.46Å |
| 61 | E | 59.7 | Low | 54.9 | Low | 131 Ų | 131 | 130 Ų | 130 | 61% | 0.612 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -75.6 | -40.8 | 178.2 | -75.5 | 170.6 | 154.4 | 0 | 0 | 112.1 | K63 R64 A65 | E61-K63 PolarHBondContact O-N 2.88Å; E61-K63 VanDerWaalsContact O-N 3.16Å; E61-R64 PolarHBondContact O-N 2.86Å; E61-A65 PolarHBondContact O-N 3.28Å |
| 62 | R | 55.9 | Low | 55.3 | Low | 166 Ų | 166 | 130.8 Ų | 130.8 | 63% | 0.626 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -61.4 | -21.5 | 170.5 | -76.7 | -178 | -73.9 | -177.7 | -7.6 | 113.6 | D58 | D58-R62 WeakPolarHBondContact O-CB 3.48Å; D58-R62 WeakPolarHBondContact O-CG 3.28Å; D58-R62 PolarHBondContact O-NE 3.42Å |
| 63 | K | 59.5 | Low | 55.6 | Low | 151 Ų | 151 | 128.3 Ų | 128.3 | 66% | 0.657 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -77.6 | -24.3 | 171 | -93.4 | -176.3 | 170.7 | -177.6 | 0 | 114.2 | V59 Q60 E61 | V59-K63 PolarHBondContact O-N 3.12Å; Q60-K63 PolarHBondContact O-N 2.97Å; E61-K63 PolarHBondContact O-N 2.88Å; E61-K63 VanDerWaalsContact O-N 3.16Å |
| 64 | R | 62.3 | Low | 56.6 | Low | 179 Ų | 179 | 129 Ų | 129 | 68% | 0.675 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -84.4 | -27.5 | 176.5 | -70 | -173.8 | 173.9 | 120 | -5 | 112.8 | Q60 E61 L66 T67 | Q60-R64 PolarHBondContact O-N 3.46Å; E61-R64 PolarHBondContact O-N 2.86Å; R64-L66 PolarHBondContact O-N 2.92Å; R64-L66 VanDerWaalsContact O-N 3.12Å; R64-T67 PolarHBondContact O-OG1 3.49Å; R64-T67 VanDerWaalsContact O-OG1 3.13Å |
| 65 | A | 60.7 | Low | 57 | Low | 88 Ų | 88 | 128.8 Ų | 128.8 | 73% | 0.727 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | 15.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | E61 | E61-A65 PolarHBondContact O-N 3.28Š|
| 66 | L | 58.6 | Low | 57.5 | Low | 139 Ų | 139 | 135 Ų | 135 | 73% | 0.728 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | 7.7 | 178.3 | -68.4 | 174.1 | 0 | 0 | 0 | 113.4 | R64 L68 | R64-L66 PolarHBondContact O-N 2.92Å; R64-L66 VanDerWaalsContact O-N 3.12Å; L66-L68 PolarHBondContact O-N 3.28Å |
| 67 | T | 62.2 | Low | 56.8 | Low | 126 Ų | 126 | 139.9 Ų | 139.9 | 77% | 0.773 | 70% | 0.703 | S | S | * | * | | | trans | -78.4 | 110.5 | 175.9 | -37.2 | 0 | 0 | 0 | 0 | 108.7 | R64 D69 | R64-T67 PolarHBondContact O-OG1 3.49Å; R64-T67 VanDerWaalsContact O-OG1 3.13Å; T67-D69 PolarHBondContact O-N 3.41Å |
| 68 | L | 53.9 | Low | 56.6 | Low | 125 Ų | 125 | 141.3 Ų | 141.3 | 65% | 0.654 | 71% | 0.71 | S | S | * | * | | | trans | -85.8 | 107.4 | -175.4 | -151.6 | 170.4 | 0 | 0 | 0 | 109 | L66 F70 | L66-L68 PolarHBondContact O-N 3.28Å; L68-F70 HydrophobicContact CB-CE2 4.38Å; L68-F70 HydrophobicContact CD1-CZ 4.42Å; L68-F70 HydrophobicContact CD2-CD1 4.28Å; L68-F70 HydrophobicContact CD2-CD2 4.43Å; L68-F70 HydrophobicContact CD2-CE1 3.94Å; L68-F70 HydrophobicContact CD2-CE2 4.1Å; L68-F70 HydrophobicContact CD2-CZ 3.85Å; L68-F70 WeakPolarHBondContact O-CD2 3.36Å |
| 69 | D | 54.7 | Low | 56.2 | Low | 130 Ų | 130 | 144.1 Ų | 144.1 | 70% | 0.695 | 73% | 0.73 | S | S | * | * | | | trans | -83.2 | 132 | -179.5 | -154.9 | -29.6 | 0 | 0 | 0 | 110.4 | T67 S71 | T67-D69 PolarHBondContact O-N 3.41Å; D69-S71 VanDerWaalsContact CG-OG 3.27Å; D69-S71 PolarHBondContact OD1-OG 3.19Å |
| 70 | F | 59.2 | Low | 55.5 | Low | 165 Ų | 165 | 147 Ų | 147 | 72% | 0.724 | 74% | 0.743 | S | S | * | * | | | trans | -108 | 31.2 | -171.2 | -74.1 | -80.4 | 0 | 0 | 0 | 112.8 | L68 S73 | L68-F70 HydrophobicContact CB-CE2 4.38Å; L68-F70 HydrophobicContact CD1-CZ 4.42Å; L68-F70 HydrophobicContact CD2-CD1 4.28Å; L68-F70 HydrophobicContact CD2-CD2 4.43Å; L68-F70 HydrophobicContact CD2-CE1 3.94Å; L68-F70 HydrophobicContact CD2-CE2 4.1Å; L68-F70 HydrophobicContact CD2-CZ 3.85Å; L68-F70 WeakPolarHBondContact O-CD2 3.36Å; F70-S73 PolarHBondContact O-OG 2.91Å |
| 71 | S | 53 | Low | 55 | Low | 82 Ų | 82 | 145.8 Ų | 145.8 | 57% | 0.573 | 74% | 0.74 | S | S | * | * | | | trans | -85.3 | -17.9 | -170.2 | 28 | 0 | 0 | 0 | 0 | 115.4 | D69 S73 | D69-S71 VanDerWaalsContact CG-OG 3.27Å; D69-S71 PolarHBondContact OD1-OG 3.19Å; S71-S73 VanDerWaalsContact C-N 3.34Å; S71-S73 PolarHBondContact O-N 3.3Å; S71-S73 VanDerWaalsContact O-N 3.16Å |
| 72 | D | 51.7 | Low | 55.2 | Low | 158 Ų | 158 | 144.8 Ų | 144.8 | 85% | 0.845 | 74% | 0.743 | S | S | * | * | | | trans | -88.5 | 34.4 | -173.1 | -73 | -32.8 | 0 | 0 | 0 | 116 | K74 | D72-K74 PolarHBondContact O-N 3.15Š|
| 73 | S | 52.9 | Low | 55.4 | Low | 110 Ų | 110 | 144 Ų | 144 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | 18.2 | -169.9 | -62.6 | 0 | 0 | 0 | 0 | 116.6 | F70 S71 | F70-S73 PolarHBondContact O-OG 2.91Å; S71-S73 VanDerWaalsContact C-N 3.34Å; S71-S73 PolarHBondContact O-N 3.3Å; S71-S73 VanDerWaalsContact O-N 3.16Å |
| 74 | K | 56.8 | Low | 55.7 | Low | 203 Ų | 203 | 143 Ų | 143 | 88% | 0.883 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | -11.1 | -165.6 | -72.8 | -179 | 178.1 | 175.4 | 0 | 117.3 | D72 | D72-K74 PolarHBondContact O-N 3.15Š|
| 75 | S | 54.6 | Low | 55.8 | Low | 112 Ų | 112 | 138 Ų | 138 | 78% | 0.783 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -113 | 5 | -169.2 | -59.5 | 0 | 0 | 0 | 0 | 116.6 | | |
| 76 | I | 52.2 | Low | 55.8 | Low | 167 Ų | 167 | 138.6 Ų | 138.6 | 86% | 0.856 | 72% | 0.724 | S | S | * | * | | | trans | -121.1 | 62.9 | -177.4 | -44.7 | -179.9 | 0 | 0 | 0 | 111.2 | | |
| 77 | R | 48.9 | Very low | 56.1 | Low | 244 Ų | 244 | 139.1 Ų | 139.1 | 92% | 0.921 | 72% | 0.722 | S | S | * | * | | | trans | -130.7 | 75.8 | 160.6 | -68.9 | -153 | -67.1 | -155.5 | 2.4 | 110.2 | | |
| 78 | K | 54 | Low | 56 | Low | 202 Ų | 202 | 142.5 Ų | 142.5 | 88% | 0.878 | 73% | 0.726 | S | S | * | * | | | trans | -108.5 | 115.1 | 159.1 | -71.5 | -172.8 | 176.8 | -175.9 | 0 | 107.2 | L80 | K78-L80 PolarHBondContact O-N 2.69Š|
| 79 | T | 49.2 | Very low | 56.2 | Low | 149 Ų | 149 | 141.6 Ų | 141.6 | 91% | 0.914 | 72% | 0.722 | S | S | * | * | | | trans | -63 | 109.1 | 177.8 | 44 | 0 | 0 | 0 | 0 | 109.3 | | |
| 80 | L | 45.7 | Very low | 55.8 | Low | 141 Ų | 141 | 138 Ų | 138 | 74% | 0.738 | 72% | 0.716 | S | S | * | * | | | trans | -97.4 | 122.1 | 169.1 | -176.9 | 64.2 | 0 | 0 | 0 | 107.4 | K78 T82 | K78-L80 PolarHBondContact O-N 2.69Å; L80-T82 PolarHBondContact O-N 3.41Å |
| 81 | D | 49 | Very low | 55.5 | Low | 93 Ų | 93 | 135.4 Ų | 135.4 | 50% | 0.497 | 71% | 0.708 | S | S | . | * | | | trans | -69.7 | 124.5 | -166.5 | -142.2 | -34.4 | 0 | 0 | 0 | 111.5 | Q83 | D81-Q83 PolarHBondContact O-N 3.43Š|
| 82 | T | 63.6 | Low | 55 | Low | 111 Ų | 111 | 136 Ų | 136 | 68% | 0.681 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -70.7 | -17.1 | -175.6 | 43.4 | 0 | 0 | 0 | 0 | 112.4 | L80 L86 | L80-T82 PolarHBondContact O-N 3.41Å; T82-L86 PolarHBondContact O-N 2.99Å |
| 83 | Q | 60.6 | Low | 55 | Low | 150 Ų | 150 | 131.5 Ų | 131.5 | 70% | 0.701 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -72.6 | -41.8 | -180 | -169.3 | 170.3 | -9.8 | 0 | 0 | 113 | D81 V85 L86 Q87 | D81-Q83 PolarHBondContact O-N 3.43Å; Q83-V85 PolarHBondContact O-N 2.98Å; Q83-L86 PolarHBondContact O-N 3.13Å; Q83-Q87 PolarHBondContact O-N 3.33Å |
| 84 | E | 66.3 | Low | 55.5 | Low | 129 Ų | 129 | 131.4 Ų | 131.4 | 60% | 0.603 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -67.6 | -38.3 | -179.8 | -62.5 | -171.6 | 153.6 | 0 | 0 | 111.9 | L86 Q87 F88 | E84-L86 VanDerWaalsContact C-N 3.33Å; E84-L86 PolarHBondContact O-N 2.85Å; E84-Q87 PolarHBondContact O-N 3.25Å; E84-F88 PolarHBondContact O-N 3.44Å |
| 85 | V | 63.7 | Low | 55.6 | Low | 73 Ų | 73 | 126.7 Ų | 126.7 | 44% | 0.442 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -63.2 | -39.1 | 178.7 | 177.3 | 0 | 0 | 0 | 0 | 111.3 | Q83 F88 L89 | Q83-V85 PolarHBondContact O-N 2.98Å; V85-F88 PolarHBondContact O-N 3.01Å; V85-L89 HydrophobicContact CG1-CD1 3.9Å; V85-L89 WeakPolarHBondContact O-CB 3.43Å; V85-L89 WeakPolarHBondContact O-CD1 3.39Å; V85-L89 PolarHBondContact O-N 2.9Å; V85-L89 VanDerWaalsContact O-N 3.08Å |
| 86 | L | 60.8 | Low | 55.8 | Low | 102 Ų | 102 | 127.7 Ų | 127.7 | 53% | 0.534 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -67.6 | -34.5 | 177.1 | -78 | 165.7 | 0 | 0 | 0 | 112.8 | T82 Q83 E84 L89 | T82-L86 PolarHBondContact O-N 2.99Å; Q83-L86 PolarHBondContact O-N 3.13Å; E84-L86 VanDerWaalsContact C-N 3.33Å; E84-L86 PolarHBondContact O-N 2.85Å; L86-L89 PolarHBondContact O-N 2.83Å |
| 87 | Q | 64.7 | Low | 56.2 | Low | 149 Ų | 149 | 126.7 Ų | 126.7 | 70% | 0.696 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -73.4 | -38 | 176.2 | -158 | 168 | 45.5 | 0 | 0 | 111.7 | Q83 E84 L89 G90 | Q83-Q87 PolarHBondContact O-N 3.33Å; E84-Q87 PolarHBondContact O-N 3.25Å; Q87-L89 VanDerWaalsContact C-N 3.28Å; Q87-L89 PolarHBondContact O-N 2.85Å; Q87-G90 PolarHBondContact O-N 3.33Å |
| 88 | F | 60 | Low | 56.8 | Low | 197 Ų | 197 | 124 Ų | 124 | 86% | 0.864 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -67.8 | -24.3 | 173.6 | -121.5 | -84.3 | 0 | 0 | 0 | 114 | E84 V85 G90 | E84-F88 PolarHBondContact O-N 3.44Å; V85-F88 PolarHBondContact O-N 3.01Å; F88-G90 VanDerWaalsContact C-N 3.28Å; F88-G90 PolarHBondContact O-N 2.85Å |
| 89 | L | 58.1 | Low | 57 | Low | 107 Ų | 107 | 121.2 Ų | 121.2 | 56% | 0.56 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -3.3 | 177.8 | -93.1 | 155.3 | 0 | 0 | 0 | 114 | V85 L86 Q87 L91 | V85-L89 HydrophobicContact CG1-CD1 3.9Å; V85-L89 WeakPolarHBondContact O-CB 3.43Å; V85-L89 WeakPolarHBondContact O-CD1 3.39Å; V85-L89 PolarHBondContact O-N 2.9Å; V85-L89 VanDerWaalsContact O-N 3.08Å; L86-L89 PolarHBondContact O-N 2.83Å; Q87-L89 VanDerWaalsContact C-N 3.28Å; Q87-L89 PolarHBondContact O-N 2.85Å; L89-L91 HydrophobicContact CB-CD1 4.39Å; L89-L91 HydrophobicContact CB-CG 4.22Å; L89-L91 PolarHBondContact O-N 3.22Å; L89-L91 VanDerWaalsContact O-N 3.15Å |
| 90 | G | 47.5 | Very low | 57.5 | Low | 55 Ų | 55 | 119 Ų | 119 | 57% | 0.567 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66 | 14.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q87 F88 S92 | Q87-G90 PolarHBondContact O-N 3.33Å; F88-G90 VanDerWaalsContact C-N 3.28Å; F88-G90 PolarHBondContact O-N 2.85Å; G90-S92 VanDerWaalsContact C-N 3.27Å; G90-S92 PolarHBondContact O-N 2.89Å |
| 91 | L | 52.8 | Low | 58.2 | Low | 109 Ų | 109 | 116.5 Ų | 116.5 | 57% | 0.571 | 61% | 0.612 | S | S | * | * | | | trans | -83.8 | -2.5 | -178.6 | -59.8 | -179.2 | 0 | 0 | 0 | 113.1 | L89 S93 | L89-L91 HydrophobicContact CB-CD1 4.39Å; L89-L91 HydrophobicContact CB-CG 4.22Å; L89-L91 PolarHBondContact O-N 3.22Å; L89-L91 VanDerWaalsContact O-N 3.15Å; L91-S93 PolarHBondContact O-N 3.44Å |
| 92 | S | 41.8 | Very low | 58.8 | Low | 96 Ų | 96 | 119.7 Ų | 119.7 | 67% | 0.671 | 62% | 0.624 | S | S | * | * | | | trans | -79.4 | 63.5 | 169.8 | 60.4 | 0 | 0 | 0 | 0 | 111.4 | G90 | G90-S92 VanDerWaalsContact C-N 3.27Å; G90-S92 PolarHBondContact O-N 2.89Å |
| 93 | S | 52.9 | Low | 58.4 | Low | 63 Ų | 63 | 119.1 Ų | 119.1 | 44% | 0.441 | 62% | 0.616 | S | S | . | * | | | trans | -133.8 | 129.7 | 167.7 | -168.4 | 0 | 0 | 0 | 0 | 110.7 | L91 D95 F96 | L91-S93 PolarHBondContact O-N 3.44Å; S93-D95 PolarHBondContact O-N 3.16Å; S93-F96 PolarHBondContact O-N 2.74Å |
| 94 | P | 62.4 | Low | 58.1 | Low | 108 Ų | 108 | 117.4 Ų | 117.4 | 70% | 0.701 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | -8.1 | -173.4 | -27.1 | 35.8 | 0 | 0 | 0 | 117.4 | | |
| 95 | D | 58.6 | Low | 57.2 | Low | 104 Ų | 104 | 115.3 Ų | 115.3 | 56% | 0.556 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -75.6 | -22.7 | -179.1 | -67.1 | -54.9 | 0 | 0 | 0 | 114.1 | S93 E97 R98 F99 | S93-D95 PolarHBondContact O-N 3.16Å; D95-E97 VanDerWaalsContact C-N 3.33Å; D95-E97 PolarHBondContact O-N 3.48Å; D95-R98 PolarHBondContact O-N 2.88Å; D95-F99 PolarHBondContact O-N 3.28Å |
| 96 | F | 58.1 | Low | 56.7 | Low | 133 Ų | 133 | 118 Ų | 118 | 58% | 0.583 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.1 | -34.4 | -178.5 | -165.2 | -106.7 | 0 | 0 | 0 | 112.3 | S93 F99 L100 | S93-F96 PolarHBondContact O-N 2.74Å; F96-F99 PolarHBondContact O-N 2.94Å; F96-L100 HydrophobicContact CD1-CD1 3.82Å; F96-L100 HydrophobicContact CE1-CD1 3.65Å; F96-L100 HydrophobicContact CE1-CG 4.29Å; F96-L100 PolarHBondContact O-N 3Å; F96-L100 VanDerWaalsContact O-N 3.09Å |
| 97 | E | 61.1 | Low | 56.2 | Low | 146 Ų | 146 | 119 Ų | 119 | 68% | 0.682 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -66.5 | -39.9 | 176.1 | -163.7 | 167.8 | -147 | 0 | 0 | 111 | D95 L100 S101 | D95-E97 VanDerWaalsContact C-N 3.33Å; D95-E97 PolarHBondContact O-N 3.48Å; E97-L100 PolarHBondContact O-N 3.33Å; E97-S101 PolarHBondContact O-N 3.41Å; E97-S101 PolarHBondContact O-OG 3.13Å; E97-S101 VanDerWaalsContact O-OG 3.07Å |
| 98 | R | 62.8 | Low | 55.1 | Low | 186 Ų | 186 | 116.8 Ų | 116.8 | 70% | 0.702 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -65.6 | -38.5 | 173.2 | -67.9 | -165.7 | 176.1 | -146.4 | 0.5 | 112.9 | D95 L100 S101 Q102 | D95-R98 PolarHBondContact O-N 2.88Å; R98-L100 VanDerWaalsContact C-N 3.26Å; R98-L100 PolarHBondContact O-N 3.44Å; R98-S101 PolarHBondContact O-N 3.35Å; R98-Q102 VanDerWaalsContact O-CB 3.28Å; R98-Q102 WeakPolarHBondContact O-CB 3.45Å; R98-Q102 PolarHBondContact O-N 3.4Å |
| 99 | F | 57.4 | Low | 54.3 | Low | 145 Ų | 145 | 116.6 Ų | 116.6 | 64% | 0.636 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -65 | -29.5 | 175 | -106.2 | -86.4 | 0 | 0 | 0 | 113.3 | D95 F96 N103 | D95-F99 PolarHBondContact O-N 3.28Å; F96-F99 PolarHBondContact O-N 2.94Å; F99-N103 PolarHBondContact O-ND2 3.2Å |
| 100 | L | 59.8 | Low | 53.8 | Low | 102 Ų | 102 | 117 Ų | 117 | 53% | 0.534 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -76.3 | -45.6 | 171.3 | -74.7 | 166.6 | 0 | 0 | 0 | 111.8 | F96 E97 R98 Q102 V104 | F96-L100 HydrophobicContact CD1-CD1 3.82Å; F96-L100 HydrophobicContact CE1-CD1 3.65Å; F96-L100 HydrophobicContact CE1-CG 4.29Å; F96-L100 PolarHBondContact O-N 3Å; F96-L100 VanDerWaalsContact O-N 3.09Å; E97-L100 PolarHBondContact O-N 3.33Å; R98-L100 VanDerWaalsContact C-N 3.26Å; R98-L100 PolarHBondContact O-N 3.44Å; L100-Q102 PolarHBondContact O-N 3.18Å; L100-V104 WeakPolarHBondContact O-CG2 3.36Å |
| 101 | S | 59.6 | Low | 53.2 | Low | 89 Ų | 89 | 120.6 Ų | 120.6 | 62% | 0.622 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -63.9 | -37 | 178.8 | -54.5 | 0 | 0 | 0 | 0 | 113.3 | E97 R98 | E97-S101 PolarHBondContact O-N 3.41Å; E97-S101 PolarHBondContact O-OG 3.13Å; E97-S101 VanDerWaalsContact O-OG 3.07Å; R98-S101 PolarHBondContact O-N 3.35Å |
| 102 | Q | 61.2 | Low | 53 | Low | 160 Ų | 160 | 120.5 Ų | 120.5 | 75% | 0.748 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -85.3 | -23 | -171.6 | -164.8 | 163.8 | 5.8 | 0 | 0 | 114.1 | R98 L100 | R98-Q102 VanDerWaalsContact O-CB 3.28Å; R98-Q102 WeakPolarHBondContact O-CB 3.45Å; R98-Q102 PolarHBondContact O-N 3.4Å; L100-Q102 PolarHBondContact O-N 3.18Å |
| 103 | N | 56.4 | Low | 53 | Low | 99 Ų | 99 | 121.1 Ų | 121.1 | 53% | 0.529 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -90.3 | -11.9 | 177.8 | -75.8 | -55.7 | 0 | 0 | 0 | 114.5 | F99 A105 | F99-N103 PolarHBondContact O-ND2 3.2Å; N103-A105 VanDerWaalsContact C-N 3.28Å; N103-A105 PolarHBondContact O-N 3.02Å |
| 104 | V | 54.4 | Low | 53 | Low | 114 Ų | 114 | 123.3 Ų | 123.3 | 69% | 0.691 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -17.2 | 179.9 | 162.7 | 0 | 0 | 0 | 0 | 113.2 | L100 | L100-V104 WeakPolarHBondContact O-CG2 3.36Š|
| 105 | A | 46.8 | Very low | 52.5 | Low | 84 Ų | 84 | 122.6 Ų | 122.6 | 69% | 0.694 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -13 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | N103 | N103-A105 VanDerWaalsContact C-N 3.28Å; N103-A105 PolarHBondContact O-N 3.02Å |
| 106 | V | 52.2 | Low | 52.1 | Low | 129 Ų | 129 | 125.9 Ų | 125.9 | 78% | 0.782 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.3 | -8.3 | -168.5 | 177.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 107 | V | 51.1 | Low | 51.9 | Low | 123 Ų | 123 | 129.4 Ų | 129.4 | 75% | 0.745 | 70% | 0.699 | S | S | * | * | | | trans | -118.7 | 71.3 | 177.9 | -170.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 108 | S | 42.7 | Very low | 51.1 | Low | 104 Ų | 104 | 132.1 Ų | 132.1 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | | | trans | -141.9 | 63.8 | -176.9 | -164.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 109 | Q | 42.6 | Very low | 50.8 | Low | 193 Ų | 193 | 127.2 Ų | 127.2 | 90% | 0.902 | 70% | 0.697 | S | S | * | * | | | trans | -145.5 | 52.3 | 164 | -69.4 | -162.3 | 10.2 | 0 | 0 | 111.8 | | |
| 110 | T | 46.3 | Very low | 50.9 | Low | 114 Ų | 114 | 129.8 Ų | 129.8 | 70% | 0.699 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -143 | 126.2 | 163.8 | 35.8 | 0 | 0 | 0 | 0 | 109.7 | T112 | T110-T112 PolarHBondContact O-N 2.74Š|
| 111 | P | 37 | Very low | 51.2 | Low | 132 Ų | 132 | 129.1 Ų | 129.1 | 86% | 0.857 | 71% | 0.705 | S | S | * | * | | | trans | -77.3 | 95 | -176.5 | 31.4 | -33.7 | 0 | 0 | 0 | 109.9 | | |
| 112 | T | 48.5 | Very low | 51.6 | Low | 107 Ų | 107 | 129.3 Ų | 129.3 | 66% | 0.656 | 70% | 0.702 | S | S | * | * | | | trans | -141.1 | 97.8 | 166.6 | -53.3 | 0 | 0 | 0 | 0 | 106.9 | T110 T114 | T110-T112 PolarHBondContact O-N 2.74Å; T112-T114 VanDerWaalsContact C-N 3.3Å; T112-T114 PolarHBondContact O-N 3.03Å; T112-T114 PolarHBondContact O-OG1 2.98Å |
| 113 | P | 41.8 | Very low | 52.5 | Low | 108 Ų | 108 | 124.8 Ų | 124.8 | 70% | 0.701 | 69% | 0.686 | S | S | * | * | | | trans | -67.3 | 92.4 | -173.5 | 26.6 | -33.3 | 0 | 0 | 0 | 109.7 | Q115 | P113-Q115 PolarHBondContact O-N 3.03Š|
| 114 | T | 52.6 | Low | 53.7 | Low | 109 Ų | 109 | 123.7 Ų | 123.7 | 67% | 0.669 | 69% | 0.69 | S | S | * | * | | | trans | -73.7 | 66.6 | 165.1 | -53.3 | 0 | 0 | 0 | 0 | 107.5 | T112 F116 | T112-T114 VanDerWaalsContact C-N 3.3Å; T112-T114 PolarHBondContact O-N 3.03Å; T112-T114 PolarHBondContact O-OG1 2.98Å; T114-F116 WeakPolarHBondContact O-CD2 3.5Å; T114-F116 WeakPolarHBondContact O-CE2 3.25Å; T114-F116 WeakPolarHBondContact O-CG 3.27Å; T114-F116 PolarHBondContact O-N 3.24Å |
| 115 | Q | 51.7 | Low | 54.9 | Low | 94 Ų | 94 | 125.7 Ų | 125.7 | 44% | 0.439 | 69% | 0.692 | S | S | . | * | | | trans | -83.9 | 77.7 | 154.5 | -72.9 | -164.6 | -8.8 | 0 | 0 | 106.9 | P113 P119 N121 | P113-Q115 PolarHBondContact O-N 3.03Å; Q115-P119 HydrophobicContact CB-CB 3.96Å; Q115-P119 WeakPolarHBondContact O-CD 3.35Å; Q115-N121 PolarHBondContact OE1-ND2 3.14Å |
| 116 | F | 49.3 | Very low | 56.4 | Low | 172 Ų | 172 | 126.9 Ų | 126.9 | 75% | 0.754 | 68% | 0.683 | S | S | * | * | | | | 81.3 | 57.8 | 90.9 | -87.2 | -67.8 | 0 | 0 | 0 | 111.4 | T114 Y118 | T114-F116 WeakPolarHBondContact O-CD2 3.5Å; T114-F116 WeakPolarHBondContact O-CE2 3.25Å; T114-F116 WeakPolarHBondContact O-CG 3.27Å; T114-F116 PolarHBondContact O-N 3.24Å; F116-Y118 PolarHBondContact O-N 3.17Å |
| 117 | F | 53.6 | Low | 57.8 | Low | 207 Ų | 207 | 124.8 Ų | 124.8 | 91% | 0.908 | 67% | 0.665 | S | S | * | * | S | Bend | trans | 59.1 | -31.3 | 173 | -86.8 | -93.4 | 0 | 0 | 0 | 118.6 | | |
| 118 | Y | 45.3 | Very low | 59.3 | Low | 203 Ų | 203 | 126.1 Ų | 126.1 | 80% | 0.796 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -156 | 95.3 | 165.1 | -82.9 | -79.6 | 0 | 0 | 0 | 109 | F116 K120 | F116-Y118 PolarHBondContact O-N 3.17Å; Y118-K120 PolarHBondContact O-N 3.01Å |
| 119 | P | 56 | Low | 61.3 | Low | 84 Ų | 84 | 131.2 Ų | 131.2 | 55% | 0.545 | 67% | 0.668 | S | S | . | * | | | trans | -69.6 | 114 | 170.8 | 28 | -29.5 | 0 | 0 | 0 | 108.8 | Q115 N121 | Q115-P119 HydrophobicContact CB-CB 3.96Å; Q115-P119 WeakPolarHBondContact O-CD 3.35Å; P119-N121 VanDerWaalsContact C-N 3.29Å |
| 120 | K | 60.6 | Low | 63.4 | Low | 198 Ų | 198 | 123.7 Ų | 123.7 | 86% | 0.861 | 64% | 0.638 | S | S | * | * | | | trans | -86 | -1.4 | 178 | -72.2 | -168.3 | 176.1 | -174 | 0 | 113.3 | Y118 | Y118-K120 PolarHBondContact O-N 3.01Š|
| 121 | N | 65.7 | Low | 65.3 | Low | 89 Ų | 89 | 124 Ų | 124 | 48% | 0.476 | 63% | 0.627 | S | S | . | * | S | Bend | trans | -127.1 | 121.4 | -167.9 | 46.2 | -76.3 | 0 | 0 | 0 | 109.3 | Q115 P119 | Q115-N121 PolarHBondContact OE1-ND2 3.14Å; P119-N121 VanDerWaalsContact C-N 3.29Å |
| 122 | V | 67.5 | Low | 67.6 | Low | 92 Ų | 92 | 120.2 Ų | 120.2 | 56% | 0.558 | 61% | 0.612 | S | S | * | * | | | trans | -74.3 | 134.6 | -178.2 | -174.5 | 0 | 0 | 0 | 0 | 109 | Q126 E127 | V122-Q126 HydrophobicContact CG1-CB 3.61Å; V122-E127 HydrophobicContact CB-CG 4.18Å; V122-E127 HydrophobicContact CG1-CG 3.69Å |
| 123 | T | 81.1 | Confident | 69.6 | Low | 66 Ų | 66 | 122.6 Ų | 122.6 | 41% | 0.405 | 61% | 0.614 | S | S | . | * | | | trans | -73.4 | 144.5 | 175.6 | -50.7 | 0 | 0 | 0 | 0 | 109.4 | E125 Q126 E127 | T123-E125 PolarHBondContact O-N 2.96Å; T123-E125 VanDerWaalsContact O-N 3.08Å; T123-Q126 VanDerWaalsContact CB-OE1 3.31Å; T123-Q126 CarbonylContact O-C 3.5Å; T123-Q126 WeakPolarHBondContact O-CA 3.28Å; T123-Q126 WeakPolarHBondContact O-CB 3.24Å; T123-Q126 PolarHBondContact O-N 3.4Å; T123-Q126 PolarHBondContact OG1-OE1 2.96Å; T123-Q126 VanDerWaalsContact OG1-OE1 3.05Å; T123-E127 PolarHBondContact O-N 3.29Å |
| 124 | A | 80.8 | Confident | 71.8 | Confident | 75 Ų | 75 | 121.1 Ų | 121.1 | 62% | 0.62 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -53.8 | -34.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | E127 Q128 | A124-E127 PolarHBondContact O-N 2.89Å; A124-Q128 WeakPolarHBondContact O-CB 3.19Å; A124-Q128 PolarHBondContact O-N 3.3Å |
| 125 | E | 80.3 | Confident | 73.6 | Confident | 157 Ų | 157 | 120.5 Ų | 120.5 | 73% | 0.734 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -66.9 | -37 | 172.8 | -172.7 | 179.1 | -173.6 | 0 | 0 | 112.8 | T123 Q128 Y129 | T123-E125 PolarHBondContact O-N 2.96Å; T123-E125 VanDerWaalsContact O-N 3.08Å; E125-Q128 PolarHBondContact O-N 2.87Å; E125-Y129 WeakPolarHBondContact O-CB 3.43Å; E125-Y129 PolarHBondContact O-N 3.3Å |
| 126 | Q | 78.5 | Confident | 75.4 | Confident | 109 Ų | 109 | 118 Ų | 118 | 51% | 0.509 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -70.5 | -35.8 | 174.3 | -65.3 | 172.1 | -48.6 | 0 | 0 | 111.5 | V122 T123 A130 | V122-Q126 HydrophobicContact CG1-CB 3.61Å; T123-Q126 VanDerWaalsContact CB-OE1 3.31Å; T123-Q126 CarbonylContact O-C 3.5Å; T123-Q126 WeakPolarHBondContact O-CA 3.28Å; T123-Q126 WeakPolarHBondContact O-CB 3.24Å; T123-Q126 PolarHBondContact O-N 3.4Å; T123-Q126 PolarHBondContact OG1-OE1 2.96Å; T123-Q126 VanDerWaalsContact OG1-OE1 3.05Å; Q126-A130 VanDerWaalsContact O-CB 3.29Å; Q126-A130 WeakPolarHBondContact O-CB 3.37Å; Q126-A130 PolarHBondContact O-N 3.45Å |
| 127 | E | 81.2 | Confident | 77.2 | Confident | 84 Ų | 84 | 113.6 Ų | 113.6 | 39% | 0.393 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.9 | -46.2 | 168.8 | -69.5 | -166.7 | -167.9 | 0 | 0 | 110.9 | V122 T123 A124 Y129 A130 R131 | V122-E127 HydrophobicContact CB-CG 4.18Å; V122-E127 HydrophobicContact CG1-CG 3.69Å; T123-E127 PolarHBondContact O-N 3.29Å; A124-E127 PolarHBondContact O-N 2.89Å; E127-Y129 VanDerWaalsContact C-N 3.34Å; E127-Y129 PolarHBondContact O-N 3.09Å; E127-A130 CarbonylContact O-C 3.6Å; E127-A130 WeakPolarHBondContact O-CA 3.48Å; E127-A130 PolarHBondContact O-N 2.8Å; E127-R131 WeakPolarHBondContact O-CG 3.48Å; E127-R131 PolarHBondContact O-N 3.28Å; E127-R131 IonicContact OE2-CZ 3.72Å; E127-R131 IonicContact OE2-NH1 3.92Å; E127-R131 IonicContact OE2-NH2 2.8Å; E127-R131 PolarHBondContact OE2-NH2 2.92Å |
| 128 | Q | 83.3 | Confident | 78.8 | Confident | 151 Ų | 151 | 107.3 Ų | 107.3 | 71% | 0.706 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64 | -38.5 | -179.1 | -167 | 165.2 | -5 | 0 | 0 | 112.2 | A124 E125 R131 | A124-Q128 WeakPolarHBondContact O-CB 3.19Å; A124-Q128 PolarHBondContact O-N 3.3Å; E125-Q128 PolarHBondContact O-N 2.87Å; Q128-R131 PolarHBondContact O-N 2.92Å |
| 129 | Y | 84.4 | Confident | 80.7 | Confident | 212 Ų | 212 | 103.3 Ų | 103.3 | 83% | 0.831 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.9 | -40.2 | 169.4 | -174.6 | -96 | 0 | 0 | 0 | 112.1 | E125 E127 | E125-Y129 WeakPolarHBondContact O-CB 3.43Å; E125-Y129 PolarHBondContact O-N 3.3Å; E127-Y129 VanDerWaalsContact C-N 3.34Å; E127-Y129 PolarHBondContact O-N 3.09Å |
| 130 | A | 87 | Confident | 81.8 | Confident | 35 Ų | 35 | 103.4 Ų | 103.4 | 29% | 0.289 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -73.7 | -22.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | Q126 E127 G132 F133 I134 | Q126-A130 VanDerWaalsContact O-CB 3.29Å; Q126-A130 WeakPolarHBondContact O-CB 3.37Å; Q126-A130 PolarHBondContact O-N 3.45Å; E127-A130 CarbonylContact O-C 3.6Å; E127-A130 WeakPolarHBondContact O-CA 3.48Å; E127-A130 PolarHBondContact O-N 2.8Å; A130-G132 VanDerWaalsContact C-N 3.32Å; A130-G132 PolarHBondContact O-N 2.91Å; A130-F133 WeakPolarHBondContact O-CA 3.42Å; A130-F133 WeakPolarHBondContact O-CB 3.48Å; A130-F133 PolarHBondContact O-N 2.89Å; A130-I134 HydrophobicContact CB-CD1 3.97Å; A130-I134 WeakPolarHBondContact O-CG1 3.46Å; A130-I134 PolarHBondContact O-N 2.91Å |
| 131 | R | 84.8 | Confident | 82.6 | Confident | 119 Ų | 119 | 99 Ų | 99 | 45% | 0.449 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.3 | -41.1 | -176.8 | -67.2 | -150.2 | -164.6 | -65.8 | -14 | 112.6 | E127 Q128 F133 I134 D135 | E127-R131 WeakPolarHBondContact O-CG 3.48Å; E127-R131 PolarHBondContact O-N 3.28Å; E127-R131 IonicContact OE2-CZ 3.72Å; E127-R131 IonicContact OE2-NH1 3.92Å; E127-R131 IonicContact OE2-NH2 2.8Å; E127-R131 PolarHBondContact OE2-NH2 2.92Å; Q128-R131 PolarHBondContact O-N 2.92Å; R131-F133 PolarHBondContact O-N 3.28Å; R131-F133 VanDerWaalsContact O-N 3.17Å; R131-I134 PolarHBondContact O-N 3.5Å; R131-I134 VanDerWaalsContact O-N 3.12Å; R131-D135 VanDerWaalsContact O-CB 3.31Å; R131-D135 WeakPolarHBondContact O-CB 3.39Å; R131-D135 PolarHBondContact O-N 3.46Å |
| 132 | G | 86.2 | Confident | 83.1 | Confident | 54 Ų | 54 | 102.5 Ų | 102.5 | 56% | 0.557 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58.7 | -30.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114 | A130 A136 | A130-G132 VanDerWaalsContact C-N 3.32Å; A130-G132 PolarHBondContact O-N 2.91Å; G132-A136 WeakPolarHBondContact O-CB 3.35Å; G132-A136 PolarHBondContact O-N 3.44Å |
| 133 | F | 89.5 | Confident | 83.1 | Confident | 157 Ų | 157 | 105.2 Ų | 105.2 | 69% | 0.689 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -81.2 | -39.5 | 175.4 | -131.9 | -84.7 | 0 | 0 | 0 | 112 | A130 R131 L137 | A130-F133 WeakPolarHBondContact O-CA 3.42Å; A130-F133 WeakPolarHBondContact O-CB 3.48Å; A130-F133 PolarHBondContact O-N 2.89Å; R131-F133 PolarHBondContact O-N 3.28Å; R131-F133 VanDerWaalsContact O-N 3.17Å; F133-L137 HydrophobicContact CD1-CD1 4.28Å; F133-L137 WeakPolarHBondContact O-CB 3.45Å; F133-L137 WeakPolarHBondContact O-CG 3.48Å; F133-L137 PolarHBondContact O-N 3.36Å |
| 134 | I | 88.3 | Confident | 81.9 | Confident | 77 Ų | 77 | 110.9 Ų | 110.9 | 40% | 0.395 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.8 | -43.1 | 178 | -65.8 | 163 | 0 | 0 | 0 | 110.8 | A130 R131 L137 N138 | A130-I134 HydrophobicContact CB-CD1 3.97Å; A130-I134 WeakPolarHBondContact O-CG1 3.46Å; A130-I134 PolarHBondContact O-N 2.91Å; R131-I134 PolarHBondContact O-N 3.5Å; R131-I134 VanDerWaalsContact O-N 3.12Å; I134-L137 PolarHBondContact O-N 3.13Å; I134-N138 WeakPolarHBondContact O-CB 3.47Å; I134-N138 PolarHBondContact O-N 3.03Å |
| 135 | D | 90.2 | Very high | 80.6 | Confident | 95 Ų | 95 | 111.3 Ų | 111.3 | 51% | 0.508 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.6 | -39.8 | 178.5 | -66.5 | -22.7 | 0 | 0 | 0 | 110.9 | R131 N138 Q139 | R131-D135 VanDerWaalsContact O-CB 3.31Å; R131-D135 WeakPolarHBondContact O-CB 3.39Å; R131-D135 PolarHBondContact O-N 3.46Å; D135-N138 PolarHBondContact O-N 3.44Å; D135-Q139 WeakPolarHBondContact O-CB 3.43Å; D135-Q139 PolarHBondContact O-N 3.5Å |
| 136 | A | 89.2 | Confident | 79.1 | Confident | 42 Ų | 42 | 111 Ų | 111 | 35% | 0.347 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.1 | -41.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | G132 Q139 I140 | G132-A136 WeakPolarHBondContact O-CB 3.35Å; G132-A136 PolarHBondContact O-N 3.44Å; A136-Q139 PolarHBondContact O-N 3.45Å; A136-I140 WeakPolarHBondContact O-CD1 3.24Å; A136-I140 VanDerWaalsContact O-CG1 3.25Å; A136-I140 WeakPolarHBondContact O-CG1 3.28Å; A136-I140 PolarHBondContact O-N 3.39Å |
| 137 | L | 88.3 | Confident | 78.2 | Confident | 79 Ų | 79 | 110.9 Ų | 110.9 | 41% | 0.414 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.1 | -41.4 | 174.5 | -74.5 | 171.5 | 0 | 0 | 0 | 112.1 | F133 I134 Q139 I140 H141 | F133-L137 HydrophobicContact CD1-CD1 4.28Å; F133-L137 WeakPolarHBondContact O-CB 3.45Å; F133-L137 WeakPolarHBondContact O-CG 3.48Å; F133-L137 PolarHBondContact O-N 3.36Å; I134-L137 PolarHBondContact O-N 3.13Å; L137-Q139 VanDerWaalsContact C-N 3.35Å; L137-Q139 PolarHBondContact O-N 3.3Å; L137-I140 PolarHBondContact O-N 3.49Å; L137-H141 VanDerWaalsContact O-CG 3.25Å; L137-H141 PolarHBondContact O-N 2.93Å; L137-H141 PolarHBondContact O-ND1 2.91Å |
| 138 | N | 85.9 | Confident | 76.7 | Confident | 76 Ų | 76 | 111.7 Ų | 111.7 | 41% | 0.406 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.4 | -40.9 | 173.5 | -85.1 | -23.3 | 0 | 0 | 0 | 111.9 | I134 D135 I140 H141 Q142 | I134-N138 WeakPolarHBondContact O-CB 3.47Å; I134-N138 PolarHBondContact O-N 3.03Å; D135-N138 PolarHBondContact O-N 3.44Å; N138-I140 VanDerWaalsContact C-N 3.34Å; N138-H141 PolarHBondContact O-N 2.86Å; N138-Q142 WeakPolarHBondContact O-CB 3.37Å; N138-Q142 VanDerWaalsContact O-CG 3.26Å; N138-Q142 WeakPolarHBondContact O-CG 3.46Å; N138-Q142 PolarHBondContact O-N 2.9Å |
| 139 | Q | 86.3 | Confident | 74.8 | Confident | 118 Ų | 118 | 111.4 Ų | 111.4 | 55% | 0.551 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.1 | -39.3 | 173.8 | -172.5 | 178.1 | 61.8 | 0 | 0 | 111.5 | D135 A136 L137 Q142 M143 | D135-Q139 WeakPolarHBondContact O-CB 3.43Å; D135-Q139 PolarHBondContact O-N 3.5Å; A136-Q139 PolarHBondContact O-N 3.45Å; L137-Q139 VanDerWaalsContact C-N 3.35Å; L137-Q139 PolarHBondContact O-N 3.3Å; Q139-Q142 PolarHBondContact O-N 3.47Å; Q139-M143 HydrophobicContact CG-CG 4.29Å; Q139-M143 WeakPolarHBondContact O-CB 3.36Å; Q139-M143 WeakPolarHBondContact O-CG 3.29Å; Q139-M143 PolarHBondContact O-N 3.2Å |
| 140 | I | 78.4 | Confident | 72.7 | Confident | 86 Ų | 86 | 105.5 Ų | 105.5 | 44% | 0.441 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.2 | -43.1 | 173.9 | -70.8 | 163.4 | 0 | 0 | 0 | 111 | A136 L137 N138 Q142 R144 | A136-I140 WeakPolarHBondContact O-CD1 3.24Å; A136-I140 VanDerWaalsContact O-CG1 3.25Å; A136-I140 WeakPolarHBondContact O-CG1 3.28Å; A136-I140 PolarHBondContact O-N 3.39Å; L137-I140 PolarHBondContact O-N 3.49Å; N138-I140 VanDerWaalsContact C-N 3.34Å; I140-Q142 VanDerWaalsContact C-N 3.32Å; I140-Q142 PolarHBondContact O-N 3.19Å; I140-R144 WeakPolarHBondContact O-CB 3.45Å; I140-R144 PolarHBondContact O-N 3.24Å |
| 141 | H | 77.6 | Confident | 70.4 | Confident | 106 Ų | 106 | 110.8 Ų | 110.8 | 49% | 0.491 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.9 | -29.5 | 176.1 | -64.8 | 154.9 | 0 | 0 | 0 | 113.5 | L137 N138 R144 | L137-H141 VanDerWaalsContact O-CG 3.25Å; L137-H141 PolarHBondContact O-N 2.93Å; L137-H141 PolarHBondContact O-ND1 2.91Å; N138-H141 PolarHBondContact O-N 2.86Å; H141-R144 CarbonylContact C-O 3.58Å; H141-R144 VanDerWaalsContact O-O 3.06Å |
| 142 | Q | 76.7 | Confident | 68.2 | Low | 162 Ų | 162 | 111.9 Ų | 111.9 | 76% | 0.757 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -79.7 | -40.5 | 175.3 | -72.1 | 170.5 | 39 | 0 | 0 | 112.4 | N138 Q139 I140 | N138-Q142 WeakPolarHBondContact O-CB 3.37Å; N138-Q142 VanDerWaalsContact O-CG 3.26Å; N138-Q142 WeakPolarHBondContact O-CG 3.46Å; N138-Q142 PolarHBondContact O-N 2.9Å; Q139-Q142 PolarHBondContact O-N 3.47Å; I140-Q142 VanDerWaalsContact C-N 3.32Å; I140-Q142 PolarHBondContact O-N 3.19Å |
| 143 | M | 66.2 | Low | 66.2 | Low | 150 Ų | 150 | 117.9 Ų | 117.9 | 74% | 0.739 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -84.8 | -14.7 | -178.7 | -65.9 | -133.6 | -57.5 | 0 | 0 | 114 | Q139 | Q139-M143 HydrophobicContact CG-CG 4.29Å; Q139-M143 WeakPolarHBondContact O-CB 3.36Å; Q139-M143 WeakPolarHBondContact O-CG 3.29Å; Q139-M143 PolarHBondContact O-N 3.2Å |
| 144 | R | 57.2 | Low | 63.7 | Low | 184 Ų | 184 | 115.9 Ų | 115.9 | 69% | 0.694 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -133.9 | 122.5 | 174.5 | -66.2 | -174.1 | 166.4 | 156.9 | -1.1 | 109 | I140 H141 F146 | I140-R144 WeakPolarHBondContact O-CB 3.45Å; I140-R144 PolarHBondContact O-N 3.24Å; H141-R144 CarbonylContact C-O 3.58Å; H141-R144 VanDerWaalsContact O-O 3.06Å; R144-F146 PolarHBondContact O-N 3.29Å |
| 145 | G | 52.8 | Low | 61.4 | Low | 84 Ų | 84 | 118.2 Ų | 118.2 | 87% | 0.866 | 65% | 0.645 | S | S | * | * | | | trans | -67.1 | 60.6 | 169 | 0 | 0 | 0 | 0 | 0 | 112 | V147 | G145-V147 VanDerWaalsContact C-N 3.3Å; G145-V147 PolarHBondContact O-N 2.9Å |
| 146 | F | 49.7 | Very low | 58.7 | Low | 151 Ų | 151 | 117.6 Ų | 117.6 | 66% | 0.662 | 66% | 0.661 | S | S | * | * | | | trans | -81.1 | 82.2 | 177.8 | -164.2 | -93.4 | 0 | 0 | 0 | 108.3 | R144 P148 | R144-F146 PolarHBondContact O-N 3.29Å; F146-P148 WeakPolarHBondContact O-CD 3.34Å |
| 147 | V | 58.7 | Low | 56.4 | Low | 107 Ų | 107 | 124.2 Ų | 124.2 | 65% | 0.648 | 68% | 0.683 | S | S | * | * | | | trans | -52.8 | 125 | 164.5 | -179.9 | 0 | 0 | 0 | 0 | 107.3 | G145 M149 | G145-V147 VanDerWaalsContact C-N 3.3Å; G145-V147 PolarHBondContact O-N 2.9Å; V147-M149 VanDerWaalsContact C-N 3.32Å; V147-M149 PolarHBondContact O-N 3.46Å |
| 148 | P | 50.4 | Low | 54.3 | Low | 100 Ų | 100 | 126.4 Ų | 126.4 | 65% | 0.649 | 70% | 0.699 | S | S | * | * | | | trans | -62.3 | 99.8 | 166.9 | -17.8 | 31.4 | 0 | 0 | 0 | 107.6 | F146 S150 | F146-P148 WeakPolarHBondContact O-CD 3.34Å; P148-S150 PolarHBondContact O-N 3.32Å; P148-S150 PolarHBondContact O-OG 2.92Å |
| 149 | M | 44.1 | Very low | 52 | Low | 145 Ų | 145 | 127 Ų | 127 | 71% | 0.714 | 71% | 0.709 | S | S | * | * | | | trans | -70.1 | 68.5 | 167 | -92.1 | -78.1 | -157 | 0 | 0 | 108.8 | V147 N151 | V147-M149 VanDerWaalsContact C-N 3.32Å; V147-M149 PolarHBondContact O-N 3.46Å; M149-N151 PolarHBondContact O-N 2.97Å |
| 150 | S | 39 | Very low | 49.6 | Very low | 89 Ų | 89 | 129.2 Ų | 129.2 | 62% | 0.622 | 73% | 0.725 | S | S | * | * | | | trans | -52 | 129.7 | 145.1 | 49.1 | 0 | 0 | 0 | 0 | 107.1 | P148 | P148-S150 PolarHBondContact O-N 3.32Å; P148-S150 PolarHBondContact O-OG 2.92Å |
| 151 | N | 38.5 | Very low | 48 | Very low | 146 Ų | 146 | 131.1 Ų | 131.1 | 78% | 0.781 | 74% | 0.74 | S | S | * | * | S | Bend | trans | 85.1 | 66.6 | -174.7 | -42.8 | -29.4 | 0 | 0 | 0 | 115.4 | M149 | M149-N151 PolarHBondContact O-N 2.97Š|
| 152 | L | 39.2 | Very low | 46.5 | Very low | 142 Ų | 142 | 132.3 Ų | 132.3 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -168.1 | 130.7 | 139.3 | -97.8 | 136.9 | 0 | 0 | 0 | 110 | | |
| 153 | M | 44.3 | Very low | 44.8 | Very low | 180 Ų | 180 | 128.8 Ų | 128.8 | 89% | 0.887 | 75% | 0.753 | S | S | * | * | | | trans | 85.5 | 101.5 | 171.3 | -41.5 | -126.9 | 80.7 | 0 | 0 | 118.7 | | |
| 154 | S | 36.5 | Very low | 43.6 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | | | trans | -54.5 | 162.9 | 149.4 | -55.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 155 | P | 39.7 | Very low | 42.9 | Very low | 125 Ų | 125 | 125.6 Ų | 125.6 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | | | cis | -138.8 | 155 | 20.5 | 39.6 | -21 | 0 | 0 | 0 | 117.5 | | |
| 156 | G | 34 | Very low | 42.3 | Very low | 83 Ų | 83 | 128.4 Ų | 128.4 | 86% | 0.856 | 75% | 0.753 | S | S | * | * | | | trans | 80.2 | 79.9 | 150.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 157 | F | 40.1 | Very low | 42.2 | Very low | 181 Ų | 181 | 129.5 Ų | 129.5 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | | | trans | -126.8 | 120.6 | 148.2 | -167.6 | -100.8 | 0 | 0 | 0 | 109.5 | S159 | F157-S159 PolarHBondContact O-N 3.39Å; F157-S159 VanDerWaalsContact O-N 3.14Å |
| 158 | V | 44.7 | Very low | 41.8 | Very low | 125 Ų | 125 | 131.6 Ų | 131.6 | 76% | 0.758 | 76% | 0.761 | S | S | * | * | | | trans | -78.4 | 92.6 | 172.2 | -81.5 | 0 | 0 | 0 | 0 | 108.8 | N160 | V158-N160 PolarHBondContact O-N 2.96Š|
| 159 | S | 38.6 | Very low | 41.5 | Very low | 88 Ų | 88 | 133.9 Ų | 133.9 | 62% | 0.615 | 77% | 0.767 | S | S | * | * | | | trans | -67.2 | 79.9 | 169.7 | -62.6 | 0 | 0 | 0 | 0 | 110.9 | F157 T161 | F157-S159 PolarHBondContact O-N 3.39Å; F157-S159 VanDerWaalsContact O-N 3.14Å; S159-T161 PolarHBondContact O-N 3.28Å |
| 160 | N | 35.6 | Very low | 41.6 | Very low | 165 Ų | 165 | 130.9 Ų | 130.9 | 88% | 0.882 | 77% | 0.766 | S | S | * | * | | | trans | -76.1 | 69.5 | 158.7 | -98.9 | 24.9 | 0 | 0 | 0 | 108.7 | V158 | V158-N160 PolarHBondContact O-N 2.96Š|
| 161 | T | 44.9 | Very low | 42.1 | Very low | 125 Ų | 125 | 136.4 Ų | 136.4 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 122.8 | 163.4 | -57.3 | 0 | 0 | 0 | 0 | 107.8 | S159 | S159-T161 PolarHBondContact O-N 3.28Š|
| 162 | V | 45.8 | Very low | 42 | Very low | 131 Ų | 131 | 135.6 Ų | 135.6 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 153.8 | 179.6 | 73.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 163 | A | 40.3 | Very low | 42 | Very low | 88 Ų | 88 | 137 Ų | 137 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 137.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 164 | Q | 42.6 | Very low | 41.4 | Very low | 188 Ų | 188 | 136.6 Ų | 136.6 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | | | trans | -166.5 | 106.7 | 130.7 | -101.4 | 175.4 | -52.6 | 0 | 0 | 105.3 | | |
| 165 | A | 40.7 | Very low | 41.3 | Very low | 80 Ų | 80 | 134.5 Ų | 134.5 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | | | | 100.4 | 129.9 | 72.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 166 | D | 40.5 | Very low | 41.2 | Very low | 142 Ų | 142 | 133 Ų | 133 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | | | trans | 97.2 | 113.8 | 159.2 | -56 | -21.5 | 0 | 0 | 0 | 120.3 | | |
| 167 | K | 48.3 | Very low | 41.5 | Very low | 175 Ų | 175 | 139.7 Ų | 139.7 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | | | trans | 65.8 | 137.8 | 136 | -66.3 | -178.7 | 179.2 | 177.5 | 0 | 119.3 | | |
| 168 | E | 50.6 | Low | 41.2 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | | | cis | -149.4 | 173.1 | -20.7 | -79.2 | -69.1 | 109 | 0 | 0 | 104.9 | | |
| 169 | D | 43.4 | Very low | 41 | Very low | 147 Ų | 147 | 138.5 Ų | 138.5 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | | | trans | 69.7 | 117.7 | 151.1 | -68.3 | -44.3 | 0 | 0 | 0 | 123.7 | | |
| 170 | A | 45.7 | Very low | 41.2 | Very low | 83 Ų | 83 | 142.7 Ų | 142.7 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | | | | 89.2 | 83.5 | 128.5 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 171 | K | 49.8 | Very low | 41.3 | Very low | 204 Ų | 204 | 144.8 Ų | 144.8 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | | | | 66.3 | 127 | 123.2 | -68.1 | 168.5 | -177.9 | 170.7 | 0 | 120.3 | | |
| 172 | P | 36.9 | Very low | 40.8 | Very low | 129 Ų | 129 | 146 Ų | 146 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | | | trans | -91 | 158.7 | 178.5 | 37.8 | -35.4 | 0 | 0 | 0 | 113.3 | | |
| 173 | L | 40.3 | Very low | 40.4 | Very low | 171 Ų | 171 | 144.3 Ų | 144.3 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | | | trans | -140.2 | 132.2 | 163.7 | -156.6 | 85.8 | 0 | 0 | 0 | 112.3 | | |
| 174 | L | 30.2 | Very low | 40 | Very low | 172 Ų | 172 | 148.5 Ų | 148.5 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | | | trans | -60.7 | 140.6 | 163.8 | -115.7 | 71.4 | 0 | 0 | 0 | 110.6 | | |
| 175 | G | 34.7 | Very low | 39.6 | Very low | 72 Ų | 72 | 144 Ų | 144 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | | | trans | 178.1 | 108.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 176 | A | 38.6 | Very low | 39.4 | Very low | 92 Ų | 92 | 147 Ų | 147 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | | | trans | 22.9 | 126.7 | 154.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 177 | F | 38.5 | Very low | 39.5 | Very low | 224 Ų | 224 | 147.1 Ų | 147.1 | 98% | 0.982 | 81% | 0.811 | S | S | * | * | | | | -139.9 | 127 | 127.5 | -114.7 | -79.8 | 0 | 0 | 0 | 111.1 | | |
| 178 | Q | 34.9 | Very low | 39.1 | Very low | 152 Ų | 152 | 142.5 Ų | 142.5 | 71% | 0.71 | 81% | 0.805 | S | S | * | * | | | trans | -109.4 | 167 | -172.2 | 165.2 | 93.8 | 22.9 | 0 | 0 | 108.5 | | |
| 179 | E | 40.7 | Very low | 38.6 | Very low | 130 Ų | 130 | 146.6 Ų | 146.6 | 61% | 0.607 | 81% | 0.814 | S | S | * | * | | | trans | 81.3 | 109.4 | 170.1 | -61.7 | -50.8 | 123.1 | 0 | 0 | 118 | | |
| 180 | Q | 43.4 | Very low | 38.5 | Very low | 176 Ų | 176 | 144.8 Ų | 144.8 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | | | | 166.3 | 103.3 | 110.3 | -87.9 | 173.6 | 37.9 | 0 | 0 | 111.3 | | |
| 181 | F | 35.8 | Very low | 38.7 | Very low | 208 Ų | 208 | 146.3 Ų | 146.3 | 91% | 0.912 | 82% | 0.816 | S | S | * | * | | | | -177.6 | 136.6 | 110.9 | -136.8 | -102 | 0 | 0 | 0 | 111.2 | | |
| 182 | L | 34.4 | Very low | 38.5 | Very low | 152 Ų | 152 | 142.8 Ų | 142.8 | 80% | 0.796 | 81% | 0.811 | S | S | * | * | | | trans | -100.8 | 171 | -171 | -137.7 | 83.2 | 0 | 0 | 0 | 112.9 | | |
| 183 | A | 37.6 | Very low | 38.9 | Very low | 94 Ų | 94 | 142.6 Ų | 142.6 | 78% | 0.777 | 81% | 0.808 | S | S | * | * | | | trans | 80.8 | 104.7 | 159 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 184 | L | 31.7 | Very low | 39.2 | Very low | 176 Ų | 176 | 138.9 Ų | 138.9 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | | | | -175.8 | 89.3 | 104.5 | -178 | 62.4 | 0 | 0 | 0 | 111.9 | | |
| 185 | A | 34.2 | Very low | 39.9 | Very low | 93 Ų | 93 | 136.9 Ų | 136.9 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | | | trans | -171.4 | 92.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 186 | T | 36.3 | Very low | 40.4 | Very low | 145 Ų | 145 | 139.8 Ų | 139.8 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | | | trans | -173.1 | 128 | 152.9 | 20.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 187 | T | 42.6 | Very low | 40.7 | Very low | 144 Ų | 144 | 142.1 Ų | 142.1 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | | | trans | 166.5 | 126.5 | 154.3 | -75.9 | 0 | 0 | 0 | 0 | 106.6 | | |
| 188 | A | 39.9 | Very low | 41 | Very low | 77 Ų | 77 | 136.6 Ų | 136.6 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | | | cis | -167.2 | 166.7 | -6.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 189 | R | 40.6 | Very low | 41.5 | Very low | 237 Ų | 237 | 134.2 Ų | 134.2 | 89% | 0.894 | 78% | 0.78 | S | S | * | * | | | trans | 66.9 | 146.7 | 155.7 | -74 | 170.4 | 168 | -167.3 | -5.6 | 119 | | |
| 190 | S | 42.2 | Very low | 41.9 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | | | cis | -160.5 | 166.8 | -11.3 | -123.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 191 | P | 49.7 | Very low | 41.9 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | | | trans | -119.7 | 178.5 | -160.3 | 43.7 | -34.7 | 0 | 0 | 0 | 116.7 | | |
| 192 | V | 46.2 | Very low | 42.1 | Very low | 130 Ų | 130 | 126.8 Ų | 126.8 | 79% | 0.788 | 79% | 0.785 | S | S | * | * | | | trans | -161.4 | 124.2 | 147.9 | -100.2 | 0 | 0 | 0 | 0 | 113 | | |
| 193 | T | 43.4 | Very low | 41.9 | Very low | 125 Ų | 125 | 125.6 Ų | 125.6 | 77% | 0.767 | 79% | 0.788 | S | S | * | * | | | trans | 35.6 | 133.5 | 133.9 | 60.9 | 0 | 0 | 0 | 0 | 119.7 | | |
| 194 | S | 48.2 | Very low | 42 | Very low | 94 Ų | 94 | 125.4 Ų | 125.4 | 66% | 0.657 | 79% | 0.786 | S | S | * | * | | | cis | 177.5 | 175.8 | 26.7 | -93.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 195 | D | 43.7 | Very low | 42.2 | Very low | 130 Ų | 130 | 123.3 Ų | 123.3 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | | | cis | -168.9 | 173 | -21.4 | -97.2 | -34.1 | 0 | 0 | 0 | 110.3 | | |
| 196 | N | 46.6 | Very low | 42.5 | Very low | 132 Ų | 132 | 122.5 Ų | 122.5 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | | | trans | 70.7 | 116 | 162.1 | -66.3 | -39.5 | 0 | 0 | 0 | 119.4 | | |
| 197 | N | 44.7 | Very low | 42.8 | Very low | 141 Ų | 141 | 121.2 Ų | 121.2 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | | | | 75 | 127.4 | 70.1 | -71.7 | -35.3 | 0 | 0 | 0 | 112.6 | | |
| 198 | S | 43.8 | Very low | 42.9 | Very low | 109 Ų | 109 | 120.3 Ų | 120.3 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | | | cis | -154.2 | 137.4 | 24.5 | -64.1 | 0 | 0 | 0 | 0 | 115.9 | | |
| 199 | A | 46.9 | Very low | 43 | Very low | 101 Ų | 101 | 121.8 Ų | 121.8 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | | | trans | 56.4 | 154.5 | 130.5 | 0 | 0 | 0 | 0 | 0 | 125.1 | | |
| 200 | P | 48.3 | Very low | 43 | Very low | 120 Ų | 120 | 117.7 Ų | 117.7 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | | | trans | -127.4 | 178.7 | -164.4 | 44 | -28.3 | 0 | 0 | 0 | 115.9 | | |
| 201 | T | 44.1 | Very low | 43.1 | Very low | 145 Ų | 145 | 121.9 Ų | 121.9 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | | | trans | -173.8 | 145.2 | 161.8 | -70.8 | 0 | 0 | 0 | 0 | 107.6 | | |
| 202 | A | 39.6 | Very low | 43.2 | Very low | 94 Ų | 94 | 122.3 Ų | 122.3 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | | | cis | -177.1 | -173 | -21.9 | 0 | 0 | 0 | 0 | 0 | 105.8 | | |
| 203 | C | 30.7 | Very low | 43.1 | Very low | 127 Ų | 127 | 124.1 Ų | 124.1 | 86% | 0.858 | 80% | 0.8 | S | S | * | * | | | trans | -103.2 | 157.5 | -164.9 | 53.7 | 0 | 0 | 0 | 0 | 116.6 | | |
| 204 | A | 38 | Very low | 43.1 | Very low | 90 Ų | 90 | 121.4 Ų | 121.4 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | | | trans | 167.3 | 122.6 | 149.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 205 | S | 37.4 | Very low | 42.9 | Very low | 132 Ų | 132 | 123 Ų | 123 | 92% | 0.923 | 81% | 0.808 | S | S | * | * | | | | 85.6 | 120.8 | 62.2 | -66.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 206 | G | 39.9 | Very low | 43 | Very low | 76 Ų | 76 | 121.2 Ų | 121.2 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | | | trans | 119.8 | 105.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 207 | S | 42.8 | Very low | 43.2 | Very low | 118 Ų | 118 | 120.3 Ų | 120.3 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | | | cis | 92.6 | 149.1 | 39.3 | -160.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 208 | V | 43.6 | Very low | 43.4 | Very low | 124 Ų | 124 | 120.2 Ų | 120.2 | 75% | 0.752 | 82% | 0.817 | S | S | * | * | | | trans | 75.2 | 98.4 | 177.5 | -170.8 | 0 | 0 | 0 | 0 | 114.7 | | |
| 209 | S | 42.3 | Very low | 43.6 | Very low | 108 Ų | 108 | 120.7 Ų | 120.7 | 76% | 0.755 | 82% | 0.818 | S | S | * | * | | | | 72.7 | 116.5 | 75.3 | -62.8 | 0 | 0 | 0 | 0 | 116.9 | | |
| 210 | T | 41.9 | Very low | 43.6 | Very low | 151 Ų | 151 | 121.3 Ų | 121.3 | 93% | 0.926 | 82% | 0.816 | S | S | * | * | | | trans | -156.5 | 136.7 | 135.6 | 24.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 211 | K | 42.4 | Very low | 43.4 | Very low | 199 Ų | 199 | 121.6 Ų | 121.6 | 87% | 0.865 | 82% | 0.816 | S | S | * | * | | | trans | -94.4 | 150.4 | 167.8 | -68 | 174 | 174.9 | 176.2 | 0 | 109.2 | | |
| 212 | S | 53.9 | Low | 43.9 | Very low | 122 Ų | 122 | 119.6 Ų | 119.6 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | | | trans | -149.4 | 141.1 | 143.6 | 58 | 0 | 0 | 0 | 0 | 110.7 | | |
| 213 | N | 42 | Very low | 44 | Very low | 168 Ų | 168 | 118.6 Ų | 118.6 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | | | trans | -99.8 | 152.4 | 175.3 | -61.2 | -26.5 | 0 | 0 | 0 | 108.5 | | |
| 214 | G | 43.6 | Very low | 45.1 | Very low | 69 Ų | 69 | 123.8 Ų | 123.8 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | | | trans | 166.9 | 114 | 162 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 215 | S | 44.8 | Very low | 45.2 | Very low | 126 Ų | 126 | 127.2 Ų | 127.2 | 88% | 0.881 | 81% | 0.808 | S | S | * | * | | | trans | 72.1 | 117.9 | 141.5 | -51.5 | 0 | 0 | 0 | 0 | 120.8 | | |
| 216 | A | 45.6 | Very low | 45.4 | Very low | 93 Ų | 93 | 127 Ų | 127 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | | | trans | -81.2 | -162.4 | 149.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 217 | P | 50.7 | Low | 45.6 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | | | cis | -127 | 179.2 | -23.9 | 39.5 | -24.9 | 0 | 0 | 0 | 112.2 | | |
| 218 | V | 49 | Very low | 45.5 | Very low | 139 Ų | 139 | 128.1 Ų | 128.1 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | | | | 170.2 | 146.3 | 129.8 | -86.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 219 | P | 47.7 | Very low | 45.8 | Very low | 120 Ų | 120 | 128.3 Ų | 128.3 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | | | trans | -109.9 | 145.6 | 169.4 | 37.7 | -29.3 | 0 | 0 | 0 | 114.1 | | |
| 220 | S | 46.7 | Very low | 46.4 | Very low | 114 Ų | 114 | 128.3 Ų | 128.3 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | | | trans | -177.8 | 166.3 | 163.5 | -90.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 221 | T | 45.1 | Very low | 46.5 | Very low | 125 Ų | 125 | 127.4 Ų | 127.4 | 77% | 0.767 | 80% | 0.795 | S | S | * | * | | | cis | -171.5 | 127.1 | -29.6 | -85.6 | 0 | 0 | 0 | 0 | 107.9 | | |
| 222 | S | 54 | Low | 46.5 | Very low | 103 Ų | 103 | 121.8 Ų | 121.8 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | | | trans | -164.7 | 106.4 | 164.2 | -166.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 223 | A | 42.7 | Very low | 46.2 | Very low | 74 Ų | 74 | 127.6 Ų | 127.6 | 61% | 0.612 | 80% | 0.797 | S | S | * | * | | | | 77.9 | 93.9 | 56.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 224 | Y | 52.6 | Low | 47 | Very low | 236 Ų | 236 | 126 Ų | 126 | 93% | 0.925 | 79% | 0.793 | S | S | * | * | | | trans | -138.8 | 148.2 | 146.5 | -77.6 | -69.6 | 0 | 0 | 0 | 109.3 | | |
| 225 | L | 40.5 | Very low | 48 | Very low | 161 Ų | 161 | 128.2 Ų | 128.2 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | | | trans | -125.5 | 174.2 | -159.7 | -97.3 | 164.2 | 0 | 0 | 0 | 111.7 | | |
| 226 | V | 40.9 | Very low | 48.2 | Very low | 128 Ų | 128 | 127.8 Ų | 127.8 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | trans | 68.4 | 136 | 166.9 | -131.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 227 | T | 45.8 | Very low | 47.9 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | | | cis | -152 | 153.2 | 28.4 | -43.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 228 | A | 39.8 | Very low | 47.6 | Very low | 92 Ų | 92 | 134.2 Ų | 134.2 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | | | trans | -107.6 | 143.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 229 | T | 49.5 | Very low | 47.3 | Very low | 127 Ų | 127 | 132.9 Ų | 132.9 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | | | trans | -149.4 | 132.8 | 164 | -35.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 230 | S | 54.6 | Low | 47.3 | Very low | 109 Ų | 109 | 137.4 Ų | 137.4 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | | | trans | 59.4 | 121.2 | 154.9 | 53.5 | 0 | 0 | 0 | 0 | 121.7 | | |
| 231 | P | 44 | Very low | 47.1 | Very low | 131 Ų | 131 | 138.3 Ų | 138.3 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | | | trans | -103.2 | 157.3 | 163.7 | 38.1 | -31.2 | 0 | 0 | 0 | 114 | | |
| 232 | G | 42.6 | Very low | 47.3 | Very low | 81 Ų | 81 | 138 Ų | 138 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | | | trans | 99.7 | 122.4 | 148.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 233 | R | 47.4 | Very low | 47 | Very low | 245 Ų | 245 | 138.1 Ų | 138.1 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | | | | -170.3 | 129.5 | 120.7 | -156.3 | 171.7 | -164.5 | -166.2 | 4.4 | 110.8 | | |
| 234 | V | 59.6 | Low | 48 | Very low | 135 Ų | 135 | 140.7 Ų | 140.7 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -115.8 | 139.1 | 170 | -165.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 235 | P | 64.9 | Low | 47.6 | Very low | 115 Ų | 115 | 138 Ų | 138 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | | | trans | -118.6 | 134.6 | 161.6 | 35 | -24.1 | 0 | 0 | 0 | 112.4 | | |
| 236 | P | 47.6 | Very low | 47.9 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | | | trans | -106 | 166.1 | 173.5 | 38.2 | -32.6 | 0 | 0 | 0 | 114.2 | | |
| 237 | R | 40.7 | Very low | 48 | Very low | 236 Ų | 236 | 135.7 Ų | 135.7 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | | | trans | 66.7 | 116.7 | 158.2 | -82 | -179 | 157.4 | -139.3 | -2.8 | 120.8 | | |
| 238 | S | 43.6 | Very low | 48 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | | | | -173.6 | 123.8 | 105.3 | 47 | 0 | 0 | 0 | 0 | 108 | | |
| 239 | T | 42.9 | Very low | 47.9 | Very low | 111 Ų | 111 | 136.2 Ų | 136.2 | 68% | 0.681 | 78% | 0.784 | S | S | * | * | | | | 68.2 | 131.7 | 87.2 | -49.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 240 | Y | 46.8 | Very low | 47.6 | Very low | 216 Ų | 216 | 139.3 Ų | 139.3 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | | | trans | 116.6 | 143.9 | 171.5 | -60.1 | -54.9 | 0 | 0 | 0 | 112 | | |
| 241 | D | 43.8 | Very low | 46.9 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | | | cis | -174.9 | 135.4 | -45.2 | -150.4 | -41.3 | 0 | 0 | 0 | 104.5 | | |
| 242 | T | 50 | Low | 46.5 | Very low | 119 Ų | 119 | 139 Ų | 139 | 73% | 0.73 | 79% | 0.788 | S | S | * | * | | | trans | 53.9 | 132.3 | 155.7 | -61.8 | 0 | 0 | 0 | 0 | 121.7 | | |
| 243 | P | 46.6 | Very low | 46.5 | Very low | 106 Ų | 106 | 139.9 Ų | 139.9 | 69% | 0.688 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 160.7 | 175.5 | 37.4 | -36.6 | 0 | 0 | 0 | 114.1 | | |
| 244 | P | 64.2 | Low | 46 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 123.4 | 176.7 | 31.8 | -32.7 | 0 | 0 | 0 | 112.6 | | |
| 245 | Q | 43 | Very low | 45.3 | Very low | 180 Ų | 180 | 134 Ų | 134 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -92 | 131 | 156.5 | -67.8 | -176.1 | 27.3 | 0 | 0 | 109.3 | | |
| 246 | S | 48.9 | Very low | 44.3 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | | | trans | -98.9 | 106.2 | 169.6 | -49.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 247 | T | 41.2 | Very low | 43.8 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 73% | 0.73 | 79% | 0.791 | S | S | * | * | | | trans | -81.8 | 129.2 | -179.9 | 51 | 0 | 0 | 0 | 0 | 112.4 | | |
| 248 | T | 46.4 | Very low | 43.8 | Very low | 144 Ų | 144 | 126.8 Ų | 126.8 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | | | trans | -133.3 | 98.3 | 149.7 | 43.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 249 | S | 38.6 | Very low | 43.6 | Very low | 86 Ų | 86 | 127.6 Ų | 127.6 | 60% | 0.601 | 80% | 0.795 | S | S | * | * | | | trans | -68.4 | 149.7 | 163.4 | 50.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 250 | F | 41.8 | Very low | 43.7 | Very low | 191 Ų | 191 | 130.8 Ų | 130.8 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | | | | -173.4 | 132 | 113 | -90.6 | -59 | 0 | 0 | 0 | 112.6 | | |
| 251 | S | 41 | Very low | 43.6 | Very low | 108 Ų | 108 | 128.4 Ų | 128.4 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | | | trans | 60.2 | 101.3 | 144.2 | -52.9 | 0 | 0 | 0 | 0 | 120.2 | | |
| 252 | S | 35.7 | Very low | 43.7 | Very low | 126 Ų | 126 | 130 Ų | 130 | 88% | 0.881 | 81% | 0.806 | S | S | * | * | | | trans | -65.5 | 140 | 155.1 | 36.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 253 | A | 41.6 | Very low | 43.5 | Very low | 99 Ų | 99 | 132.6 Ų | 132.6 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | trans | -145.4 | 116 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 254 | S | 37.9 | Very low | 43.5 | Very low | 120 Ų | 120 | 139.2 Ų | 139.2 | 84% | 0.839 | 82% | 0.821 | S | S | * | * | | | trans | -94.7 | 117.8 | 177.9 | 52.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 255 | T | 44.2 | Very low | 42.7 | Very low | 136 Ų | 136 | 137.6 Ų | 137.6 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | | | trans | -136.1 | 137.5 | 166 | -44.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 256 | T | 43.3 | Very low | 42.9 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | | | trans | -66.8 | 139.1 | -172.6 | 47.4 | 0 | 0 | 0 | 0 | 115.6 | | |
| 257 | G | 37.4 | Very low | 42.9 | Very low | 80 Ų | 80 | 140.5 Ų | 140.5 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | | | | 75 | 104.3 | 124.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 258 | A | 42.1 | Very low | 43.5 | Very low | 103 Ų | 103 | 142.5 Ų | 142.5 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | | | trans | -152.7 | 118 | 143.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 259 | S | 39.4 | Very low | 43.5 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | | | trans | -74.7 | 135 | 175.8 | -61.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 260 | H | 44 | Very low | 44.1 | Very low | 178 Ų | 178 | 148.9 Ų | 148.9 | 82% | 0.824 | 84% | 0.835 | S | S | * | * | | | trans | -142.4 | 115.3 | 155.7 | -127.1 | -94.8 | 0 | 0 | 0 | 110.9 | | |
| 261 | Q | 44.3 | Very low | 44.8 | Very low | 166 Ų | 166 | 151.5 Ų | 151.5 | 78% | 0.776 | 84% | 0.839 | S | S | * | * | | | trans | -67.3 | 137.1 | 167.3 | -72.6 | -168.8 | 33.4 | 0 | 0 | 109.3 | | |
| 262 | L | 45.7 | Very low | 45.5 | Very low | 165 Ų | 165 | 152.5 Ų | 152.5 | 86% | 0.864 | 84% | 0.843 | S | S | * | * | | | trans | -124.9 | 128 | 153.7 | -125.6 | 84.7 | 0 | 0 | 0 | 109.9 | | |
| 263 | Q | 47 | Very low | 46.2 | Very low | 173 Ų | 173 | 154.3 Ų | 154.3 | 81% | 0.808 | 84% | 0.842 | S | S | * | * | | | trans | -79.1 | 125.2 | -170 | -68.3 | 160.6 | -15.1 | 0 | 0 | 111.2 | A265 | Q263-A265 PolarHBondContact O-N 2.95Å; Q263-A265 VanDerWaalsContact O-N 3.13Å |
| 264 | R | 46 | Very low | 46.9 | Very low | 246 Ų | 246 | 154.3 Ų | 154.3 | 93% | 0.928 | 84% | 0.842 | S | S | * | * | | | trans | -81.2 | 90.6 | 174.1 | -167.3 | 170.7 | -177.4 | 157.9 | -0.4 | 110.2 | K266 | R264-K266 PolarHBondContact O-N 3.41Š|
| 265 | A | 47.1 | Very low | 48 | Very low | 93 Ų | 93 | 157.7 Ų | 157.7 | 77% | 0.769 | 84% | 0.842 | S | S | * | * | | | trans | -61.4 | 123.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q263 | Q263-A265 PolarHBondContact O-N 2.95Å; Q263-A265 VanDerWaalsContact O-N 3.13Å |
| 266 | K | 47.4 | Very low | 49 | Very low | 190 Ų | 190 | 157.4 Ų | 157.4 | 83% | 0.826 | 84% | 0.842 | S | S | * | * | | | trans | -84.5 | 110.2 | 172 | -71.9 | 175.3 | 176.6 | 175 | 0 | 109.5 | R264 H268 | R264-K266 PolarHBondContact O-N 3.41Å; K266-H268 PolarHBondContact O-N 3.47Å |
| 267 | L | 48.9 | Very low | 49.5 | Very low | 172 Ų | 172 | 156.7 Ų | 156.7 | 90% | 0.901 | 84% | 0.843 | S | S | * | * | | | trans | -79.7 | 106.6 | 169.2 | -76 | 170.3 | 0 | 0 | 0 | 110.2 | | |
| 268 | H | 54.7 | Low | 49.9 | Very low | 160 Ų | 160 | 157.8 Ų | 157.8 | 74% | 0.741 | 84% | 0.838 | S | S | * | * | | | trans | -83.8 | 118.5 | 169 | -84.5 | -21 | 0 | 0 | 0 | 111 | K266 R270 | K266-H268 PolarHBondContact O-N 3.47Å; H268-R270 PolarHBondContact O-N 2.72Å |
| 269 | C | 45 | Very low | 50.4 | Low | 137 Ų | 137 | 164 Ų | 164 | 93% | 0.926 | 84% | 0.84 | S | S | * | * | | | trans | -69.7 | 87.8 | 166.5 | -69.8 | 0 | 0 | 0 | 0 | 111 | | |
| 270 | R | 52.1 | Low | 50.8 | Low | 227 Ų | 227 | 166.6 Ų | 166.6 | 86% | 0.857 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 118 | 165.8 | -79.1 | -166.4 | 170 | -155 | -1.1 | 110.5 | H268 | H268-R270 PolarHBondContact O-N 2.72Š|
| 271 | R | 56.8 | Low | 50.6 | Low | 246 Ų | 246 | 167.4 Ų | 167.4 | 93% | 0.928 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 129.3 | 161.5 | -87.5 | -178.4 | 170.6 | 173.3 | -2.8 | 109.7 | | |
| 272 | P | 54.6 | Low | 50.8 | Low | 129 Ų | 129 | 169.8 Ų | 169.8 | 84% | 0.838 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 125.7 | 166.1 | -10.1 | 27 | 0 | 0 | 0 | 109.9 | | |
| 273 | L | 51.4 | Low | 50.4 | Low | 165 Ų | 165 | 167.2 Ų | 167.2 | 86% | 0.864 | 84% | 0.843 | S | S | * | * | | | trans | -92.6 | 108.3 | 169.6 | -158 | 80.7 | 0 | 0 | 0 | 108.1 | | |
| 274 | A | 55.9 | Low | 50.2 | Low | 99 Ų | 99 | 163.3 Ų | 163.3 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | | | trans | -73.3 | 130.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 275 | K | 59.7 | Low | 50 | Low | 190 Ų | 190 | 156.9 Ų | 156.9 | 83% | 0.826 | 83% | 0.833 | S | S | * | * | | | trans | -114.2 | 133.3 | 164 | -65.6 | -179.1 | -179.8 | -179.3 | 0 | 108.3 | | |
| 276 | P | 65.6 | Low | 49.9 | Very low | 130 Ų | 130 | 158.1 Ų | 158.1 | 84% | 0.844 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 149.1 | 166.6 | 31.2 | -32 | 0 | 0 | 0 | 111 | | |
| 277 | S | 55.1 | Low | 49.8 | Very low | 119 Ų | 119 | 157.9 Ų | 157.9 | 83% | 0.832 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -85 | 150.2 | -174.8 | -170.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 278 | S | 45.2 | Very low | 49.3 | Very low | 104 Ų | 104 | 155.4 Ų | 155.4 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 138.1 | 170.6 | 174.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 279 | R | 52.3 | Low | 48.7 | Very low | 234 Ų | 234 | 152.5 Ų | 152.5 | 88% | 0.883 | 83% | 0.831 | S | S | * | * | | | trans | -146.8 | 122.7 | 144.4 | -76.9 | -162.4 | -172 | 175.4 | 4.6 | 112.8 | | |
| 280 | H | 47.6 | Very low | 47.9 | Very low | 175 Ų | 175 | 152.3 Ų | 152.3 | 81% | 0.81 | 83% | 0.829 | S | S | * | * | | | trans | 61.3 | 111.7 | 149.3 | -76.4 | -81.7 | 0 | 0 | 0 | 122.6 | | |
| 281 | F | 39.2 | Very low | 47.2 | Very low | 196 Ų | 196 | 147.3 Ų | 147.3 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | | | trans | -39.6 | 142.8 | 149.2 | -78.7 | -110.3 | 0 | 0 | 0 | 114.8 | | |
| 282 | K | 49.2 | Very low | 46.2 | Very low | 215 Ų | 215 | 141.5 Ų | 141.5 | 94% | 0.935 | 82% | 0.821 | S | S | * | * | | | | -153.3 | 138.8 | 121.7 | -108.1 | 171.2 | -175.5 | -177.9 | 0 | 110.1 | | |
| 283 | S | 38.4 | Very low | 45.6 | Very low | 111 Ų | 111 | 144 Ų | 144 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | | | trans | -115.2 | 132.7 | -167.3 | 52.2 | 0 | 0 | 0 | 0 | 113 | | |
| 284 | A | 42.9 | Very low | 44.8 | Very low | 92 Ų | 92 | 143.7 Ų | 143.7 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | | | trans | -158.1 | 122.4 | 151.3 | 0 | 0 | 0 | 0 | 0 | 105.5 | | |
| 285 | S | 41.7 | Very low | 44.3 | Very low | 110 Ų | 110 | 148.3 Ų | 148.3 | 77% | 0.769 | 82% | 0.822 | S | S | * | * | | | | 50.1 | 116.9 | 77.2 | -147.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 286 | V | 43.5 | Very low | 43.3 | Very low | 119 Ų | 119 | 145.2 Ų | 145.2 | 72% | 0.721 | 82% | 0.819 | S | S | * | * | | | | -157.7 | 146.6 | 56.8 | 162.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 287 | K | 46.6 | Very low | 42.1 | Very low | 186 Ų | 186 | 146 Ų | 146 | 81% | 0.809 | 82% | 0.816 | S | S | * | * | | | trans | 7.8 | 122.1 | 148.7 | -55.1 | 170.9 | -176 | 177.8 | 0 | 117.7 | | |
| 288 | S | 37.9 | Very low | 41.2 | Very low | 119 Ų | 119 | 146 Ų | 146 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | | | | 63.2 | 105.2 | 90 | 149.4 | 0 | 0 | 0 | 0 | 115.9 | | |
| 289 | A | 41.2 | Very low | 41.1 | Very low | 100 Ų | 100 | 146.6 Ų | 146.6 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | | | | -178.3 | 153.3 | 126.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 290 | C | 30 | Very low | 40.1 | Very low | 133 Ų | 133 | 142.9 Ų | 142.9 | 90% | 0.899 | 81% | 0.813 | S | S | * | * | | | trans | -79.9 | 151.2 | 171.9 | -58.9 | 0 | 0 | 0 | 0 | 111 | | |
| 291 | S | 36.8 | Very low | 39.8 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | | | | -161 | 151.9 | 118.4 | -154.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 292 | V | 35.7 | Very low | 39.8 | Very low | 125 Ų | 125 | 138 Ų | 138 | 76% | 0.758 | 81% | 0.811 | S | S | * | * | | | trans | -96.7 | 137.1 | 172.3 | 168.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 293 | E | 42.6 | Very low | 39.6 | Very low | 182 Ų | 182 | 132.9 Ų | 132.9 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | | | trans | -144.3 | 118.2 | 156.7 | -112.9 | -179.7 | 170.6 | 0 | 0 | 110.8 | | |
| 294 | N | 34.1 | Very low | 39.4 | Very low | 157 Ų | 157 | 132 Ų | 132 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | | | trans | -93.7 | 133.2 | 173.8 | -119.6 | -1.2 | 0 | 0 | 0 | 108.3 | | |
| 295 | K | 44.8 | Very low | 39.2 | Very low | 197 Ų | 197 | 133.4 Ų | 133.4 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | | | trans | -147.5 | 139 | 164.4 | -114.6 | 164.9 | -173.3 | 165.7 | 0 | 112.4 | | |
| 296 | T | 38.6 | Very low | 39.2 | Very low | 124 Ų | 124 | 133.4 Ų | 133.4 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | | | trans | -105.9 | 137 | -164.3 | 49.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 297 | N | 39.7 | Very low | 38.9 | Very low | 147 Ų | 147 | 133.2 Ų | 133.2 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | | | trans | -171.7 | 109.8 | 147.5 | -119.7 | -75.8 | 0 | 0 | 0 | 107.1 | | |
| 298 | V | 37.7 | Very low | 38.3 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | | | | 51.9 | 104.7 | 75.7 | -173.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 299 | S | 42 | Very low | 38.3 | Very low | 116 Ų | 116 | 138.1 Ų | 138.1 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | | | | -169.9 | 134.5 | 126.7 | -83.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 300 | N | 31.4 | Very low | 37.8 | Very low | 157 Ų | 157 | 138.7 Ų | 138.7 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | | | trans | -79.4 | 155.9 | 176.9 | -61.7 | -50.5 | 0 | 0 | 0 | 111.3 | | |
| 301 | T | 41.3 | Very low | 38.1 | Very low | 138 Ų | 138 | 139.6 Ų | 139.6 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | | | trans | -158.3 | 136 | 138.7 | -71.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 302 | V | 39.9 | Very low | 37.8 | Very low | 129 Ų | 129 | 138.7 Ų | 138.7 | 78% | 0.782 | 77% | 0.773 | S | S | * | * | | | trans | -125 | 144.4 | 173.8 | 172 | 0 | 0 | 0 | 0 | 108.2 | | |
| 303 | P | 44.2 | Very low | 37.8 | Very low | 109 Ų | 109 | 139 Ų | 139 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | | | trans | -127.4 | 140.7 | 136.5 | 36.2 | -26.2 | 0 | 0 | 0 | 110.5 | | |
| 304 | S | 34.1 | Very low | 37.4 | Very low | 93 Ų | 93 | 137.3 Ų | 137.3 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | | | | 64.9 | 126.4 | 54.5 | -163.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 305 | T | 40.5 | Very low | 37.6 | Very low | 121 Ų | 121 | 138.1 Ų | 138.1 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | | | cis | -171.7 | 172.6 | 13.4 | 5.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 306 | S | 39.8 | Very low | 37 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | | | trans | 88 | 160.4 | 147.4 | 92.7 | 0 | 0 | 0 | 0 | 118.4 | | |
| 307 | P | 39.2 | Very low | 36.6 | Very low | 115 Ų | 115 | 139 Ų | 139 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | | | | -139.3 | 178.3 | -105.5 | 33 | -8.9 | 0 | 0 | 0 | 116.5 | | |
| 308 | R | 32.7 | Very low | 36.3 | Very low | 218 Ų | 218 | 137.5 Ų | 137.5 | 82% | 0.823 | 76% | 0.76 | S | S | * | * | | | trans | -0.4 | 128.1 | 158.3 | -69.9 | 178.3 | 165.3 | -147.8 | -3.1 | 117.5 | | |
| 309 | Q | 38 | Very low | 36.2 | Very low | 190 Ų | 190 | 140.7 Ų | 140.7 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | | | trans | -116.4 | 124 | 130.5 | -73.3 | -149.2 | -12.7 | 0 | 0 | 110.7 | | |
| 310 | V | 31.8 | Very low | 35.7 | Very low | 112 Ų | 112 | 140.7 Ų | 140.7 | 68% | 0.679 | 77% | 0.765 | S | S | * | * | | | trans | -81.9 | 120.9 | 163 | 173 | 0 | 0 | 0 | 0 | 105.6 | | |
| 311 | K | 34.4 | Very low | 35.8 | Very low | 151 Ų | 151 | 142 Ų | 142 | 66% | 0.657 | 76% | 0.764 | S | S | * | * | | | trans | -115.7 | 94.4 | 164.2 | -152.7 | 177.4 | -176.4 | -147.1 | 0 | 109.6 | E313 | K311-E313 VanDerWaalsContact CE-OE1 3.27Å; K311-E313 WeakPolarHBondContact CE-OE1 3.38Å; K311-E313 WeakPolarHBondContact CE-OE2 3.43Å; K311-E313 IonicContact NZ-OE1 2.76Å; K311-E313 PolarHBondContact NZ-OE1 3.47Å; K311-E313 IonicContact NZ-OE2 2.66Å; K311-E313 PolarHBondContact NZ-OE2 3.1Å; K311-E313 PolarHBondContact O-N 3.02Å |
| 312 | S | 32.2 | Very low | 35.4 | Very low | 103 Ų | 103 | 142.5 Ų | 142.5 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | | | trans | -63.7 | 111 | 156.8 | 48 | 0 | 0 | 0 | 0 | 107.9 | | |
| 313 | E | 35.7 | Very low | 35.3 | Very low | 132 Ų | 132 | 144.7 Ų | 144.7 | 62% | 0.617 | 76% | 0.755 | S | S | * | * | | | trans | -127.1 | 87.9 | 168.3 | -148.8 | 141.6 | -130.9 | 0 | 0 | 107.1 | K311 M315 | K311-E313 VanDerWaalsContact CE-OE1 3.27Å; K311-E313 WeakPolarHBondContact CE-OE1 3.38Å; K311-E313 WeakPolarHBondContact CE-OE2 3.43Å; K311-E313 IonicContact NZ-OE1 2.76Å; K311-E313 PolarHBondContact NZ-OE1 3.47Å; K311-E313 IonicContact NZ-OE2 2.66Å; K311-E313 PolarHBondContact NZ-OE2 3.1Å; K311-E313 PolarHBondContact O-N 3.02Å; E313-M315 PolarHBondContact O-N 3.29Å |
| 314 | I | 33.8 | Very low | 35.2 | Very low | 145 Ų | 145 | 146.2 Ų | 146.2 | 74% | 0.744 | 75% | 0.753 | S | S | * | * | | | trans | -63 | 115.2 | 163.1 | -71.8 | 165.7 | 0 | 0 | 0 | 106 | | |
| 315 | M | 37.7 | Very low | 35.3 | Very low | 175 Ų | 175 | 149.4 Ų | 149.4 | 86% | 0.862 | 76% | 0.763 | S | S | * | * | | | trans | -134.2 | 96.1 | 156 | -74.8 | -151.9 | 123.2 | 0 | 0 | 108.1 | E313 F317 | E313-M315 PolarHBondContact O-N 3.29Å; M315-F317 PolarHBondContact O-N 2.92Å |
| 316 | D | 31.5 | Very low | 35.3 | Very low | 134 Ų | 134 | 149.2 Ų | 149.2 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | | | trans | -54.3 | 129.4 | 159.6 | -60 | -80.6 | 0 | 0 | 0 | 109.6 | | |
| 317 | F | 31.3 | Very low | 35 | Very low | 205 Ų | 205 | 152 Ų | 152 | 90% | 0.899 | 75% | 0.752 | S | S | * | * | | | trans | -151.1 | 137.1 | 138.8 | -105.9 | -80.7 | 0 | 0 | 0 | 108.1 | M315 | M315-F317 PolarHBondContact O-N 2.92Š|
| 318 | P | 34 | Very low | 35 | Very low | 115 Ų | 115 | 153.9 Ų | 153.9 | 75% | 0.747 | 75% | 0.753 | S | S | * | * | | | trans | -88.7 | 145.2 | -166.2 | 34.5 | -31.9 | 0 | 0 | 0 | 111.3 | | |
| 319 | M | 35.6 | Very low | 35.2 | Very low | 187 Ų | 187 | 151.8 Ų | 151.8 | 92% | 0.921 | 75% | 0.754 | S | S | * | * | | | trans | -134.2 | 115 | 153.2 | -143.6 | -169.5 | -63.9 | 0 | 0 | 109.8 | F321 | M319-F321 PolarHBondContact O-N 3.24Š|
| 320 | T | 30.1 | Very low | 35.2 | Very low | 115 Ų | 115 | 147.2 Ų | 147.2 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | | | trans | -65.4 | 120 | -178.7 | 41.5 | 0 | 0 | 0 | 0 | 110.6 | E322 | T320-E322 VanDerWaalsContact C-N 3.35Å; T320-E322 PolarHBondContact O-N 2.89Å |
| 321 | F | 33.9 | Very low | 35.7 | Very low | 185 Ų | 185 | 148.1 Ų | 148.1 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | | | trans | -82.6 | 89.7 | 162.4 | -155.8 | -89.9 | 0 | 0 | 0 | 108.2 | M319 F323 | M319-F321 PolarHBondContact O-N 3.24Å; F321-F323 HydrophobicContact CD1-CD2 4.15Å; F321-F323 HydrophobicContact CE1-CD2 4.08Å; F321-F323 HydrophobicContact CE1-CE2 4.39Å; F321-F323 PolarHBondContact O-N 3.34Å |
| 322 | E | 33.2 | Very low | 36.2 | Very low | 148 Ų | 148 | 148.3 Ų | 148.3 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | | | trans | -52.8 | 102.9 | 164.9 | -71.9 | -83.1 | 133.5 | 0 | 0 | 108.4 | T320 E324 | T320-E322 VanDerWaalsContact C-N 3.35Å; T320-E322 PolarHBondContact O-N 2.89Å; E322-E324 PolarHBondContact O-N 3.3Å |
| 323 | F | 38.2 | Very low | 36.4 | Very low | 175 Ų | 175 | 151.5 Ų | 151.5 | 77% | 0.768 | 76% | 0.758 | S | S | * | * | | | trans | -81.7 | 95.9 | 162.5 | -138.4 | -84.6 | 0 | 0 | 0 | 106.3 | F321 N325 | F321-F323 HydrophobicContact CD1-CD2 4.15Å; F321-F323 HydrophobicContact CE1-CD2 4.08Å; F321-F323 HydrophobicContact CE1-CE2 4.39Å; F321-F323 PolarHBondContact O-N 3.34Å; F323-N325 PolarHBondContact O-N 3.48Å |
| 324 | E | 41.6 | Very low | 36.6 | Very low | 141 Ų | 141 | 150.2 Ų | 150.2 | 66% | 0.659 | 76% | 0.759 | S | S | * | * | | | trans | -55.2 | 97.2 | -177.8 | -74.6 | -178 | 94.2 | 0 | 0 | 111.3 | E322 N326 | E322-E324 PolarHBondContact O-N 3.3Å; E324-N326 HydrophobicContact CB-CB 4.32Å; E324-N326 PolarHBondContact O-N 2.91Å; E324-N326 PolarHBondContact OE1-ND2 2.83Å |
| 325 | N | 36.1 | Very low | 37 | Very low | 161 Ų | 161 | 148.6 Ų | 148.6 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | | | trans | -74.9 | 58 | 154.6 | -76.9 | -54.8 | 0 | 0 | 0 | 108.8 | F323 Y327 | F323-N325 PolarHBondContact O-N 3.48Å; N325-Y327 PolarHBondContact O-N 3.23Å |
| 326 | N | 40.4 | Very low | 37.5 | Very low | 116 Ų | 116 | 146.4 Ų | 146.4 | 62% | 0.62 | 75% | 0.752 | S | S | * | * | | | trans | -78.4 | 94.3 | 171.1 | -106.4 | -36.4 | 0 | 0 | 0 | 107.4 | E324 | E324-N326 HydrophobicContact CB-CB 4.32Å; E324-N326 PolarHBondContact O-N 2.91Å; E324-N326 PolarHBondContact OE1-ND2 2.83Å |
| 327 | Y | 33.9 | Very low | 38 | Very low | 170 Ų | 170 | 147.3 Ų | 147.3 | 67% | 0.667 | 76% | 0.757 | S | S | * | * | | | | 73.7 | 107 | 73.1 | -169.9 | -80.9 | 0 | 0 | 0 | 111.1 | N325 | N325-Y327 PolarHBondContact O-N 3.23Š|
| 328 | M | 38.9 | Very low | 38.4 | Very low | 153 Ų | 153 | 140.9 Ų | 140.9 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | | | | -160.6 | 92.2 | 128.5 | -94.8 | -53.1 | 158 | 0 | 0 | 107.5 | S330 | M328-S330 PolarHBondContact O-N 3.13Š|
| 329 | M | 37 | Very low | 38.7 | Very low | 174 Ų | 174 | 142.3 Ų | 142.3 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | | | trans | -67 | 87.6 | 156.2 | -89.4 | 162.4 | 55.9 | 0 | 0 | 106.8 | T331 | M329-T331 PolarHBondContact O-N 2.72Š|
| 330 | S | 37.8 | Very low | 39.1 | Very low | 95 Ų | 95 | 139.3 Ų | 139.3 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | | | trans | -74 | 97.3 | 177.3 | -167.9 | 0 | 0 | 0 | 0 | 108.9 | M328 M332 | M328-S330 PolarHBondContact O-N 3.13Å; S330-M332 PolarHBondContact O-N 2.78Å |
| 331 | T | 42.5 | Very low | 39.8 | Very low | 131 Ų | 131 | 141.6 Ų | 141.6 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | | | trans | -60.5 | 101.9 | 168.7 | -22.9 | 0 | 0 | 0 | 0 | 107.9 | M329 Q333 | M329-T331 PolarHBondContact O-N 2.72Å; T331-Q333 PolarHBondContact O-N 2.65Å |
| 332 | M | 44.1 | Very low | 40.3 | Very low | 155 Ų | 155 | 138.7 Ų | 138.7 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | | | trans | -68.2 | 95.3 | 176.3 | -69.6 | -132.2 | 78.6 | 0 | 0 | 109.8 | S330 V334 | S330-M332 PolarHBondContact O-N 2.78Å; M332-V334 HydrophobicContact CB-CG2 4.07Å; M332-V334 PolarHBondContact O-N 2.72Å |
| 333 | Q | 36.3 | Very low | 41 | Very low | 169 Ų | 169 | 135 Ų | 135 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | | | trans | -73.5 | 100.5 | 153.3 | -68.7 | -143 | -7.4 | 0 | 0 | 107.7 | T331 T335 | T331-Q333 PolarHBondContact O-N 2.65Å; Q333-T335 PolarHBondContact O-N 3.06Å |
| 334 | V | 41.4 | Very low | 41.3 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 64% | 0.642 | 76% | 0.764 | S | S | * | * | | | trans | -84.4 | 84.6 | 173.1 | -172.5 | 0 | 0 | 0 | 0 | 108.1 | M332 V336 | M332-V334 HydrophobicContact CB-CG2 4.07Å; M332-V334 PolarHBondContact O-N 2.72Å; V334-V336 HydrophobicContact CG1-CG2 3.71Å; V334-V336 PolarHBondContact O-N 3.31Å |
| 335 | T | 41 | Very low | 41.3 | Very low | 110 Ų | 110 | 136.3 Ų | 136.3 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | | | trans | -74.6 | 99.1 | 165.8 | 46.7 | 0 | 0 | 0 | 0 | 108.8 | Q333 D337 | Q333-T335 PolarHBondContact O-N 3.06Å; T335-D337 PolarHBondContact O-N 3.02Å |
| 336 | V | 49.7 | Very low | 41.9 | Very low | 129 Ų | 129 | 135.4 Ų | 135.4 | 78% | 0.782 | 77% | 0.765 | S | S | * | * | | | trans | -88.4 | 91.2 | 170.5 | -171 | 0 | 0 | 0 | 0 | 108.6 | V334 | V334-V336 HydrophobicContact CG1-CG2 3.71Å; V334-V336 PolarHBondContact O-N 3.31Å |
| 337 | D | 41.2 | Very low | 42.3 | Very low | 153 Ų | 153 | 136.1 Ų | 136.1 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -82.3 | 126.8 | 170.8 | -81.3 | -41.8 | 0 | 0 | 0 | 111.4 | T335 | T335-D337 PolarHBondContact O-N 3.02Š|
| 338 | G | 38.9 | Very low | 43 | Very low | 71 Ų | 71 | 133.3 Ų | 133.3 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | | | trans | 83.2 | 72.1 | 138.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 339 | V | 41.8 | Very low | 43.2 | Very low | 145 Ų | 145 | 131.1 Ų | 131.1 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | | | trans | -126.4 | 124.5 | 135.9 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 340 | T | 43.6 | Very low | 43.4 | Very low | 124 Ų | 124 | 126.5 Ų | 126.5 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | | | trans | -68.9 | 133.6 | -173.8 | 50.8 | 0 | 0 | 0 | 0 | 113 | | |
| 341 | N | 44.9 | Very low | 43.7 | Very low | 163 Ų | 163 | 126.1 Ų | 126.1 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | | | trans | -148.6 | 122.6 | 142.3 | -95.8 | -51.5 | 0 | 0 | 0 | 110 | | |
| 342 | S | 43.5 | Very low | 43.9 | Very low | 123 Ų | 123 | 126.3 Ų | 126.3 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | | | trans | -73.5 | 138.1 | 174.4 | 46.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 343 | G | 48.3 | Very low | 43.8 | Very low | 71 Ų | 71 | 124.5 Ų | 124.5 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | | | trans | 175.3 | 91.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 344 | D | 44.3 | Very low | 43.7 | Very low | 158 Ų | 158 | 120.9 Ų | 120.9 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | | | trans | -53.1 | 134.9 | -177.8 | -46.4 | -77.1 | 0 | 0 | 0 | 115.1 | | |
| 345 | F | 42.9 | Very low | 43.6 | Very low | 186 Ų | 186 | 122 Ų | 122 | 82% | 0.816 | 79% | 0.791 | S | S | * | * | | | | -171.3 | 136.3 | 117.8 | -130.6 | -115.5 | 0 | 0 | 0 | 115.3 | | |
| 346 | L | 48.3 | Very low | 43.4 | Very low | 141 Ų | 141 | 122.2 Ų | 122.2 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | | | trans | 15.5 | 124.2 | 161.9 | -86.9 | 63.6 | 0 | 0 | 0 | 123.8 | | |
| 347 | V | 49.1 | Very low | 43.1 | Very low | 131 Ų | 131 | 123.2 Ų | 123.2 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | | | trans | -76.5 | -175.7 | 147.4 | -119.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 348 | P | 48.8 | Very low | 42.9 | Very low | 111 Ų | 111 | 124.2 Ų | 124.2 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | | | cis | -140.5 | 169.4 | -2.2 | 32.6 | -9.3 | 0 | 0 | 0 | 119.3 | | |
| 349 | A | 41.1 | Very low | 43.2 | Very low | 107 Ų | 107 | 126.3 Ų | 126.3 | 88% | 0.884 | 80% | 0.795 | S | S | * | * | | | trans | 51.7 | 120.1 | 136.8 | 0 | 0 | 0 | 0 | 0 | 123.2 | | |
| 350 | G | 41.2 | Very low | 43.2 | Very low | 78 Ų | 78 | 124.4 Ų | 124.4 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | 165.1 | 143.4 | 148.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 351 | A | 45.1 | Very low | 43.5 | Very low | 86 Ų | 86 | 124.3 Ų | 124.3 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | | | cis | -177.8 | 156.3 | -17.5 | 0 | 0 | 0 | 0 | 0 | 104.5 | | |
| 352 | V | 46 | Very low | 43.4 | Very low | 136 Ų | 136 | 127.9 Ų | 127.9 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | | | trans | 54.6 | 114 | 158 | -61.6 | 0 | 0 | 0 | 0 | 120.9 | | |
| 353 | S | 42.4 | Very low | 43.3 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | | 149.5 | 126.8 | 106.8 | -83.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 354 | A | 34.2 | Very low | 43.1 | Very low | 93 Ų | 93 | 131.2 Ų | 131.2 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | trans | -78 | 144.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 355 | V | 39 | Very low | 42.7 | Very low | 128 Ų | 128 | 129 Ų | 129 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | trans | -126.7 | 100.3 | 158.5 | 175.3 | 0 | 0 | 0 | 0 | 108.3 | L357 | V355-L357 HydrophobicContact CG1-CD1 4.32Å; V355-L357 HydrophobicContact CG1-CG 4.06Å; V355-L357 PolarHBondContact O-N 3.02Å |
| 356 | T | 37.2 | Very low | 43.3 | Very low | 116 Ų | 116 | 126 Ų | 126 | 71% | 0.712 | 79% | 0.785 | S | S | * | * | | | trans | -72.2 | 116.9 | 169.1 | -59.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 357 | L | 43.2 | Very low | 43.7 | Very low | 149 Ų | 149 | 124.3 Ų | 124.3 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | | | trans | -123.2 | 104.4 | 163.9 | -75.7 | 176.1 | 0 | 0 | 0 | 110.5 | V355 S359 | V355-L357 HydrophobicContact CG1-CD1 4.32Å; V355-L357 HydrophobicContact CG1-CG 4.06Å; V355-L357 PolarHBondContact O-N 3.02Å; L357-S359 PolarHBondContact O-N 3.18Å |
| 358 | H | 38.3 | Very low | 43.5 | Very low | 175 Ų | 175 | 123.8 Ų | 123.8 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | | | trans | -61.8 | 128.7 | 161.9 | -91 | 48.7 | 0 | 0 | 0 | 109.5 | | |
| 359 | S | 43.7 | Very low | 43.2 | Very low | 114 Ų | 114 | 124.9 Ų | 124.9 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | | | trans | -136.9 | 106.7 | 163.1 | 50.1 | 0 | 0 | 0 | 0 | 109.7 | L357 | L357-S359 PolarHBondContact O-N 3.18Š|
| 360 | S | 41.9 | Very low | 43.5 | Very low | 105 Ų | 105 | 126.2 Ų | 126.2 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | | | trans | -68.6 | 143.3 | -175.2 | -47.1 | 0 | 0 | 0 | 0 | 112.2 | R362 | S360-R362 PolarHBondContact O-N 3.42Š|
| 361 | P | 49.8 | Very low | 43.5 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | | | trans | -70.7 | 124.5 | 169 | 29.6 | -32.4 | 0 | 0 | 0 | 109.9 | T363 | P361-T363 PolarHBondContact O-N 3.17Š|
| 362 | R | 43.3 | Very low | 43.4 | Very low | 238 Ų | 238 | 132.9 Ų | 132.9 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | | | trans | -80.6 | 108.9 | 168.3 | -82.5 | -177 | 167.4 | 178.2 | -3.6 | 109.5 | S360 V364 | S360-R362 PolarHBondContact O-N 3.42Å; R362-V364 PolarHBondContact O-N 3.01Å |
| 363 | T | 40.7 | Very low | 43.3 | Very low | 139 Ų | 139 | 137.5 Ų | 137.5 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | | | trans | -66.7 | 114.8 | 171.1 | -46.7 | 0 | 0 | 0 | 0 | 110.2 | P361 | P361-T363 PolarHBondContact O-N 3.17Š|
| 364 | V | 44.1 | Very low | 43.5 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | | | trans | -86.5 | 113.8 | 170.4 | 176.8 | 0 | 0 | 0 | 0 | 108.5 | R362 | R362-V364 PolarHBondContact O-N 3.01Š|
| 365 | S | 37.6 | Very low | 43.8 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | trans | -74.7 | 127.4 | 175.6 | -175.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 366 | V | 54 | Low | 44 | Very low | 122 Ų | 122 | 140.5 Ų | 140.5 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | | | trans | -113.6 | 124.7 | 173.4 | -179.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 367 | P | 56.5 | Low | 44.1 | Very low | 106 Ų | 106 | 144.4 Ų | 144.4 | 69% | 0.688 | 80% | 0.795 | S | S | * | * | | | trans | -79.3 | 139.1 | -173.7 | 30.7 | -34.8 | 0 | 0 | 0 | 112.5 | N369 | P367-N369 PolarHBondContact O-N 2.99Š|
| 368 | P | 46.1 | Very low | 43.9 | Very low | 120 Ų | 120 | 146.6 Ų | 146.6 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | | | trans | -86.6 | 107.5 | 172.3 | 32.8 | -30.3 | 0 | 0 | 0 | 110.3 | | |
| 369 | N | 41.7 | Very low | 43.8 | Very low | 135 Ų | 135 | 149 Ų | 149 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | | | trans | -158.7 | 88.7 | 167.1 | -111.4 | -46.7 | 0 | 0 | 0 | 113 | P367 | P367-N369 PolarHBondContact O-N 2.99Š|
| 370 | V | 47.2 | Very low | 43.5 | Very low | 134 Ų | 134 | 151.9 Ų | 151.9 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | | | trans | -130.1 | 89.2 | 158.3 | -177.1 | 0 | 0 | 0 | 0 | 108 | L372 | V370-L372 HydrophobicContact CG1-CD1 4.32Å; V370-L372 PolarHBondContact O-N 2.85Å; V370-L372 VanDerWaalsContact O-N 3.14Å |
| 371 | I | 42.1 | Very low | 43.6 | Very low | 144 Ų | 144 | 154.7 Ų | 154.7 | 74% | 0.738 | 81% | 0.806 | S | S | * | * | | | trans | -74.4 | 99.4 | 173.3 | -62.9 | 171.9 | 0 | 0 | 0 | 107.7 | R373 | I371-R373 PolarHBondContact O-N 2.99Å; I371-R373 VanDerWaalsContact O-N 3.08Å |
| 372 | L | 42.1 | Very low | 43 | Very low | 160 Ų | 160 | 155.6 Ų | 155.6 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | | | trans | -74.2 | 101.6 | 171.9 | -137.6 | 78 | 0 | 0 | 0 | 109.3 | V370 N374 | V370-L372 HydrophobicContact CG1-CD1 4.32Å; V370-L372 PolarHBondContact O-N 2.85Å; V370-L372 VanDerWaalsContact O-N 3.14Å; L372-N374 PolarHBondContact O-N 3.04Å |
| 373 | R | 44.7 | Very low | 42.8 | Very low | 234 Ų | 234 | 147.7 Ų | 147.7 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | | | trans | -67.7 | 113.6 | -173.7 | -151.2 | 175.3 | -168.3 | 143.8 | -1.6 | 110 | I371 P375 | I371-R373 PolarHBondContact O-N 2.99Å; I371-R373 VanDerWaalsContact O-N 3.08Å; R373-P375 WeakPolarHBondContact O-CD 3.36Å |
| 374 | N | 45.7 | Very low | 42.8 | Very low | 152 Ų | 152 | 146.8 Ų | 146.8 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | | | trans | -88.3 | 113.3 | 179.3 | -163 | -14 | 0 | 0 | 0 | 110 | L372 | L372-N374 PolarHBondContact O-N 3.04Š|
| 375 | P | 40.3 | Very low | 42.1 | Very low | 108 Ų | 108 | 146.8 Ų | 146.8 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | | | trans | -86.9 | 115.7 | 177.8 | 33.4 | -28.7 | 0 | 0 | 0 | 110 | R373 | R373-P375 WeakPolarHBondContact O-CD 3.36Š|
| 376 | V | 43.7 | Very low | 42 | Very low | 140 Ų | 140 | 150.2 Ų | 150.2 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | | | trans | 175.2 | 81.5 | 147.1 | 152 | 0 | 0 | 0 | 0 | 107.6 | | |
| 377 | Q | 38.8 | Very low | 41.5 | Very low | 199 Ų | 199 | 150.2 Ų | 150.2 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | | | trans | -136.6 | 71 | 161.4 | -81.1 | -162.2 | -10.5 | 0 | 0 | 109 | | |
| 378 | Q | 39.7 | Very low | 40.7 | Very low | 194 Ų | 194 | 150.6 Ų | 150.6 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | | | trans | -154.7 | 150.7 | 162.9 | -138.4 | 165.6 | -1.6 | 0 | 0 | 111.2 | | |
| 379 | R | 36.4 | Very low | 40.4 | Very low | 226 Ų | 226 | 153.7 Ų | 153.7 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | | | trans | 74.4 | 70.4 | -179.8 | -155.7 | 173.1 | -178.2 | 171.4 | 0.1 | 116.5 | | |
| 380 | Q | 37.1 | Very low | 39.9 | Very low | 175 Ų | 175 | 155.8 Ų | 155.8 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | trans | -69.2 | 170.7 | 137.7 | -65.4 | 178.8 | 1.4 | 0 | 0 | 110.1 | | |
| 381 | Q | 43.4 | Very low | 39.4 | Very low | 164 Ų | 164 | 158.5 Ų | 158.5 | 77% | 0.766 | 82% | 0.822 | S | S | * | * | | | trans | 89.8 | 128.4 | 168.6 | -50.6 | -176.5 | 20.6 | 0 | 0 | 117.7 | | |
| 382 | T | 38.7 | Very low | 39.2 | Very low | 141 Ų | 141 | 160.2 Ų | 160.2 | 87% | 0.865 | 83% | 0.827 | S | S | * | * | | | trans | 62.8 | 135.3 | 174 | 81.1 | 0 | 0 | 0 | 0 | 117.5 | | |
| 383 | G | 38.8 | Very low | 38.9 | Very low | 72 Ų | 72 | 158.7 Ų | 158.7 | 74% | 0.742 | 82% | 0.824 | S | S | * | * | | | cis | 177.1 | 143.8 | -10.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 384 | S | 39.3 | Very low | 38.9 | Very low | 120 Ų | 120 | 153.3 Ų | 153.3 | 84% | 0.839 | 82% | 0.82 | S | S | * | * | | | trans | 44.1 | 116.9 | 162.4 | -155.1 | 0 | 0 | 0 | 0 | 120.9 | | |
| 385 | C | 30.1 | Very low | 38.3 | Very low | 125 Ų | 125 | 152.6 Ų | 152.6 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | | | trans | -66.8 | 145.9 | 159.4 | -47.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 386 | F | 34.9 | Very low | 38.4 | Very low | 183 Ų | 183 | 151.9 Ų | 151.9 | 80% | 0.803 | 82% | 0.824 | S | S | * | * | | | trans | -137 | 135.1 | 166.5 | -158.9 | -94.9 | 0 | 0 | 0 | 110.3 | | |
| 387 | V | 43.3 | Very low | 38.3 | Very low | 122 Ų | 122 | 150.1 Ų | 150.1 | 74% | 0.739 | 82% | 0.818 | S | S | * | * | | | trans | -119.9 | 125.1 | 178.2 | 173.7 | 0 | 0 | 0 | 0 | 107.3 | | |
| 388 | P | 40.4 | Very low | 38.3 | Very low | 114 Ų | 114 | 147.1 Ų | 147.1 | 74% | 0.74 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 132.9 | 165.1 | 31.9 | -26.4 | 0 | 0 | 0 | 110.4 | | |
| 389 | Q | 39.8 | Very low | 38.2 | Very low | 185 Ų | 185 | 143.2 Ų | 143.2 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 157.4 | -178.4 | -173 | 164.9 | -25.2 | 0 | 0 | 111.2 | | |
| 390 | Q | 31 | Very low | 38.1 | Very low | 180 Ų | 180 | 138.2 Ų | 138.2 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 135.8 | 175.8 | 177.4 | -178.6 | 12.3 | 0 | 0 | 114.5 | | |
| 391 | E | 38 | Very low | 38.3 | Very low | 190 Ų | 190 | 139.2 Ų | 139.2 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | | | trans | -135.3 | 169.7 | 165.8 | -159.5 | 147.1 | 120.5 | 0 | 0 | 112.3 | | |
| 392 | Q | 36.2 | Very low | 37.9 | Very low | 180 Ų | 180 | 137 Ų | 137 | 84% | 0.841 | 81% | 0.808 | S | S | * | * | | | trans | -106.9 | 167.7 | -144.2 | -68.4 | 175.7 | -18.4 | 0 | 0 | 116.7 | | |
| 393 | V | 37.3 | Very low | 37.9 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | | | trans | -97.5 | 144.7 | 173.8 | 178.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 394 | P | 43.5 | Very low | 38 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | | | trans | -104.2 | 157.6 | 159.4 | 35.9 | -28.8 | 0 | 0 | 0 | 113.1 | | |
| 395 | V | 34.2 | Very low | 38.6 | Very low | 136 Ų | 136 | 135.6 Ų | 135.6 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | | | trans | -118 | 137.4 | -162.9 | -173.5 | 0 | 0 | 0 | 0 | 112 | | |
| 396 | A | 42.7 | Very low | 39.4 | Very low | 94 Ų | 94 | 135.7 Ų | 135.7 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | | | trans | -165.9 | 152.8 | 156.9 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 397 | S | 40.1 | Very low | 40 | Very low | 103 Ų | 103 | 132.5 Ų | 132.5 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | | | cis | 172 | 114.6 | -27.6 | -98.3 | 0 | 0 | 0 | 0 | 105.2 | | |
| 398 | V | 39.4 | Very low | 39.9 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | | | trans | 50.3 | 114.1 | 148.6 | -167.4 | 0 | 0 | 0 | 0 | 119.1 | | |
| 399 | S | 38.2 | Very low | 39.6 | Very low | 112 Ų | 112 | 132.2 Ų | 132.2 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | | | | -175.3 | 157.6 | 95.8 | -157.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 400 | V | 34.1 | Very low | 40.2 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | | | trans | -103.5 | 151.9 | -175.2 | -136.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 401 | H | 41.2 | Very low | 40.4 | Very low | 197 Ų | 197 | 128 Ų | 128 | 91% | 0.912 | 80% | 0.8 | S | S | * | * | | | trans | -158 | 143.7 | 138 | -91.9 | 108 | 0 | 0 | 0 | 110.2 | | |
| 402 | S | 34.6 | Very low | 40.6 | Very low | 118 Ų | 118 | 125.6 Ų | 125.6 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | | | trans | -141.3 | 134.2 | -175.9 | 179.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 403 | A | 39.4 | Very low | 40.9 | Very low | 101 Ų | 101 | 127.4 Ų | 127.4 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | | | trans | -158 | 134.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 404 | A | 40.4 | Very low | 41.2 | Very low | 92 Ų | 92 | 125.8 Ų | 125.8 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | | | trans | -117.7 | -149 | 172.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 405 | P | 51.4 | Low | 40.9 | Very low | 110 Ų | 110 | 127 Ų | 127 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | | | cis | -133.8 | -159.6 | -27.2 | 23.1 | 2.4 | 0 | 0 | 0 | 112.5 | | |
| 406 | V | 46.7 | Very low | 41.3 | Very low | 126 Ų | 126 | 131.9 Ų | 131.9 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | | | trans | 108.6 | 144.6 | 142.2 | -48.2 | 0 | 0 | 0 | 0 | 123.2 | | |
| 407 | S | 47 | Very low | 41.3 | Very low | 116 Ų | 116 | 132.3 Ų | 132.3 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | | | trans | 79.8 | 146.3 | 165.4 | 80.8 | 0 | 0 | 0 | 0 | 117.9 | | |
| 408 | S | 43 | Very low | 41.2 | Very low | 115 Ų | 115 | 132 Ų | 132 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | cis | -161.4 | 148.2 | -28.3 | -179.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 409 | C | 33.3 | Very low | 41.4 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | | | trans | -76.1 | 169.2 | 172.8 | -59.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 410 | P | 52.9 | Low | 41.7 | Very low | 132 Ų | 132 | 132 Ų | 132 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | | | | -143.8 | 174.6 | 99.5 | 37.3 | -21.7 | 0 | 0 | 0 | 116.2 | | |
| 411 | N | 35 | Very low | 42.2 | Very low | 144 Ų | 144 | 134 Ų | 134 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | | | trans | -122.8 | 137.2 | -170.6 | 166.7 | -3.7 | 0 | 0 | 0 | 110.5 | R413 | N411-R413 PolarHBondContact OD1-N 2.99Š|
| 412 | V | 42.4 | Very low | 42.5 | Very low | 139 Ų | 139 | 130.6 Ų | 130.6 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | | | trans | -132.8 | 84.7 | 170.5 | -173.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 413 | R | 42.5 | Very low | 42.9 | Very low | 218 Ų | 218 | 134.3 Ų | 134.3 | 82% | 0.823 | 80% | 0.799 | S | S | * | * | | | | 41.5 | 135.2 | 117.3 | -140.5 | -175 | -170.5 | 175.3 | 3.1 | 121.4 | N411 | N411-R413 PolarHBondContact OD1-N 2.99Š|
| 414 | S | 42.3 | Very low | 43.3 | Very low | 95 Ų | 95 | 137.1 Ų | 137.1 | 66% | 0.664 | 80% | 0.798 | S | S | * | * | | | trans | 115.8 | 86.8 | 139.9 | -64.9 | 0 | 0 | 0 | 0 | 120 | | |
| 415 | N | 39 | Very low | 43.6 | Very low | 148 Ų | 148 | 144.2 Ų | 144.2 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | | | | 25.7 | 129.9 | 123.1 | -58.3 | 0.2 | 0 | 0 | 0 | 121.6 | | |
| 416 | R | 41.5 | Very low | 43 | Very low | 238 Ų | 238 | 142.4 Ų | 142.4 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | | | | 149.8 | 158.4 | 125 | -82.2 | 168 | -166.3 | -127.2 | 4.2 | 109.9 | | |
| 417 | S | 42.1 | Very low | 42.9 | Very low | 102 Ų | 102 | 146.3 Ų | 146.3 | 71% | 0.713 | 82% | 0.816 | S | S | * | * | | | cis | -178.5 | 128.3 | -31.5 | -91.5 | 0 | 0 | 0 | 0 | 108 | | |
| 418 | A | 39.2 | Very low | 42.6 | Very low | 97 Ų | 97 | 152.3 Ų | 152.3 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | | | trans | 60.3 | 166.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 419 | T | 44.2 | Very low | 42.7 | Very low | 130 Ų | 130 | 151.6 Ų | 151.6 | 80% | 0.798 | 82% | 0.821 | S | S | * | * | | | cis | -160.2 | 168.1 | 20.9 | -36.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 420 | S | 43.5 | Very low | 43.1 | Very low | 117 Ų | 117 | 151.3 Ų | 151.3 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | | | trans | 103.3 | 129.7 | 147.8 | 78 | 0 | 0 | 0 | 0 | 121.2 | | |
| 421 | L | 44.4 | Very low | 42.6 | Very low | 163 Ų | 163 | 149.8 Ų | 149.8 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | | | trans | -104.4 | 156.6 | 167.6 | -73.5 | 155.4 | 0 | 0 | 0 | 108.4 | | |
| 422 | P | 48.4 | Very low | 43.7 | Very low | 125 Ų | 125 | 151.8 Ų | 151.8 | 81% | 0.812 | 82% | 0.821 | S | S | * | * | | | | -143.9 | 164 | 93.4 | 25.8 | -4.2 | 0 | 0 | 0 | 112.8 | | |
| 423 | K | 41.8 | Very low | 43.9 | Very low | 197 Ų | 197 | 151 Ų | 151 | 86% | 0.857 | 82% | 0.819 | S | S | * | * | | | cis | 95.7 | 90.6 | 26.1 | -169 | 170.2 | -176.5 | 171.1 | 0 | 116.7 | | |
| 424 | I | 47.9 | Very low | 44.1 | Very low | 160 Ų | 160 | 148.3 Ų | 148.3 | 82% | 0.821 | 82% | 0.819 | S | S | * | * | | | trans | -150.7 | 111.6 | 155 | -47.7 | -176.8 | 0 | 0 | 0 | 105.5 | | |
| 425 | R | 46.2 | Very low | 44.2 | Very low | 241 Ų | 241 | 152.8 Ų | 152.8 | 91% | 0.909 | 83% | 0.83 | S | S | * | * | | | | 56.4 | 123.7 | 80.3 | -161 | -179.9 | -170.7 | 174.8 | 2.3 | 113 | | |
| 426 | G | 38.9 | Very low | 44.3 | Very low | 71 Ų | 71 | 150 Ų | 150 | 73% | 0.732 | 83% | 0.827 | S | S | * | * | | | cis | 151.1 | 121.6 | -7.9 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 427 | E | 45.4 | Very low | 44.5 | Very low | 208 Ų | 208 | 146.9 Ų | 146.9 | 97% | 0.972 | 83% | 0.827 | S | S | * | * | | | trans | -146 | 161 | 172 | -124.8 | -173.3 | 137.6 | 0 | 0 | 112.6 | | |
| 428 | R | 41.5 | Very low | 44.1 | Very low | 243 Ų | 243 | 146.8 Ų | 146.8 | 92% | 0.917 | 83% | 0.827 | S | S | * | * | | | trans | -145.5 | 111.3 | -153.3 | 174.6 | -164 | -172.5 | -152 | 5 | 111.2 | | |
| 429 | A | 44.4 | Very low | 43.8 | Very low | 99 Ų | 99 | 148.9 Ų | 148.9 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | | | trans | -157.7 | 139.4 | 164 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 430 | S | 41.9 | Very low | 43.7 | Very low | 110 Ų | 110 | 146.5 Ų | 146.5 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | | | trans | 58.9 | 99.9 | 154.5 | -146.7 | 0 | 0 | 0 | 0 | 119.8 | | |
| 431 | A | 41.7 | Very low | 43.5 | Very low | 100 Ų | 100 | 148.7 Ų | 148.7 | 83% | 0.826 | 83% | 0.83 | S | S | * | * | | | trans | -70.9 | 141.1 | 161.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 432 | K | 59 | Low | 43.4 | Very low | 187 Ų | 187 | 145.4 Ų | 145.4 | 81% | 0.813 | 83% | 0.826 | S | S | * | * | | | trans | -123.2 | 128.1 | 159.8 | -73.2 | -178 | 176.2 | -179.3 | 0 | 108 | | |
| 433 | P | 45.2 | Very low | 43.1 | Very low | 122 Ų | 122 | 147.7 Ų | 147.7 | 79% | 0.792 | 83% | 0.831 | S | S | * | * | | | trans | -70.8 | 140.1 | 171.2 | 30.6 | -32.4 | 0 | 0 | 0 | 109.5 | | |
| 434 | I | 46.6 | Very low | 43.7 | Very low | 162 Ų | 162 | 144 Ų | 144 | 83% | 0.831 | 83% | 0.827 | S | S | * | * | | | trans | -81.2 | 117.6 | 171.6 | -64.7 | 172.3 | 0 | 0 | 0 | 107.3 | A436 | I434-A436 PolarHBondContact O-N 3.17Š|
| 435 | E | 45.3 | Very low | 43.5 | Very low | 189 Ų | 189 | 141 Ų | 141 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | | | trans | -67.9 | 115.3 | 169.8 | -68.4 | -172.7 | 156.6 | 0 | 0 | 109.9 | | |
| 436 | A | 40.4 | Very low | 43.4 | Very low | 89 Ų | 89 | 137.5 Ų | 137.5 | 74% | 0.736 | 82% | 0.82 | S | S | * | * | | | trans | -133.3 | 82.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | I434 | I434-A436 PolarHBondContact O-N 3.17Š|
| 437 | L | 45.4 | Very low | 43.8 | Very low | 172 Ų | 172 | 138.4 Ų | 138.4 | 90% | 0.901 | 82% | 0.82 | S | S | * | * | | | trans | -135.8 | 136.1 | 173.6 | -62.2 | 172.8 | 0 | 0 | 0 | 107.3 | | |
| 438 | S | 35.2 | Very low | 43.6 | Very low | 100 Ų | 100 | 136.5 Ų | 136.5 | 70% | 0.699 | 82% | 0.817 | S | S | * | * | | | cis | -146.2 | 154 | -8.7 | 62.6 | 0 | 0 | 0 | 0 | 110 | | |
| 439 | C | 32.1 | Very low | 44.1 | Very low | 141 Ų | 141 | 131 Ų | 131 | 95% | 0.953 | 81% | 0.81 | S | S | * | * | | | trans | -127.5 | 83.3 | 156.3 | -80.3 | 0 | 0 | 0 | 0 | 106.7 | | |
| 440 | A | 41.5 | Very low | 43.8 | Very low | 81 Ų | 81 | 130.5 Ų | 130.5 | 67% | 0.669 | 81% | 0.805 | S | S | * | * | | | trans | -85.7 | 109.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 441 | D | 40.1 | Very low | 43.6 | Very low | 162 Ų | 162 | 131.5 Ų | 131.5 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | | | | -178.4 | 145.9 | 123.9 | -95 | -28.7 | 0 | 0 | 0 | 113.2 | | |
| 442 | A | 42.7 | Very low | 44 | Very low | 94 Ų | 94 | 132.6 Ų | 132.6 | 78% | 0.777 | 81% | 0.813 | S | S | * | * | | | trans | 61.4 | 67.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 443 | L | 42.4 | Very low | 43.5 | Very low | 174 Ų | 174 | 128.4 Ų | 128.4 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | | | trans | -85.6 | 133.1 | 142 | -95.1 | 166.6 | 0 | 0 | 0 | 109.9 | | |
| 444 | P | 54.2 | Low | 43.6 | Very low | 118 Ų | 118 | 129.6 Ų | 129.6 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | | | trans | -106.4 | 115.4 | 148.2 | 31.8 | -23.5 | 0 | 0 | 0 | 109.3 | | |
| 445 | S | 42.5 | Very low | 43.6 | Very low | 98 Ų | 98 | 126.3 Ų | 126.3 | 69% | 0.685 | 80% | 0.803 | S | S | * | * | | | trans | -62.1 | 135.4 | 174.8 | 54.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 446 | N | 45.9 | Very low | 43.7 | Very low | 168 Ų | 168 | 122.7 Ų | 122.7 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | | | trans | 175.6 | 70.4 | 154.9 | -91.2 | -52.4 | 0 | 0 | 0 | 110.2 | | |
| 447 | A | 46.6 | Very low | 43.9 | Very low | 90 Ų | 90 | 124.2 Ų | 124.2 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | | | trans | -170.2 | 55.4 | 161.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V449 | A447-V449 PolarHBondContact O-N 3.34Š|
| 448 | D | 40.5 | Very low | 43.8 | Very low | 168 Ų | 168 | 119.8 Ų | 119.8 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | | | trans | -74.5 | 63 | 164.8 | -73.1 | -59 | 0 | 0 | 0 | 110.8 | | |
| 449 | V | 52.9 | Low | 44.1 | Very low | 128 Ų | 128 | 125 Ų | 125 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -143.5 | 111.5 | 169.3 | -175.1 | 0 | 0 | 0 | 0 | 110.1 | A447 | A447-V449 PolarHBondContact O-N 3.34Š|
| 450 | A | 37.7 | Very low | 44.9 | Very low | 87 Ų | 87 | 122.6 Ų | 122.6 | 72% | 0.719 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 56.9 | 80.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 451 | C | 38.8 | Very low | 45.1 | Very low | 132 Ų | 132 | 125 Ų | 125 | 89% | 0.892 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -138.8 | 30.5 | 151.9 | -147.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 452 | S | 48.6 | Very low | 45.3 | Very low | 122 Ų | 122 | 120.5 Ų | 120.5 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -133.4 | 9.3 | -176.1 | -49.2 | 0 | 0 | 0 | 0 | 115.4 | | |
| 453 | S | 48.7 | Very low | 45.9 | Very low | 100 Ų | 100 | 124.3 Ų | 124.3 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -124.6 | 9.4 | -175.3 | 69.9 | 0 | 0 | 0 | 0 | 116.6 | | |
| 454 | L | 46.9 | Very low | 46.4 | Very low | 146 Ų | 146 | 120.2 Ų | 120.2 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | | | trans | -99.8 | 10.3 | 173.1 | -76.4 | 168.9 | 0 | 0 | 0 | 113.8 | S456 | L454-S456 PolarHBondContact O-N 2.96Š|
| 455 | A | 47 | Very low | 46.5 | Very low | 94 Ų | 94 | 121 Ų | 121 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 16.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 456 | S | 47.1 | Very low | 47.6 | Very low | 113 Ų | 113 | 120.8 Ų | 120.8 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.9 | 5.9 | -174.5 | -56 | 0 | 0 | 0 | 0 | 115.3 | L454 | L454-S456 PolarHBondContact O-N 2.96Š|
| 457 | T | 44.5 | Very low | 49.2 | Very low | 120 Ų | 120 | 117 Ų | 117 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | | | trans | -122.8 | 50.8 | 177.1 | 26.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 458 | A | 44 | Very low | 50.8 | Low | 80 Ų | 80 | 116.8 Ų | 116.8 | 66% | 0.661 | 75% | 0.749 | S | S | * | * | | | trans | -110.9 | 22.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 459 | F | 42.2 | Very low | 53 | Low | 209 Ų | 209 | 113.7 Ų | 113.7 | 92% | 0.917 | 73% | 0.733 | S | S | * | * | | | trans | -143.9 | 66 | 178.8 | -71.2 | -75.3 | 0 | 0 | 0 | 112.7 | | |
| 460 | A | 48.7 | Very low | 54.7 | Low | 91 Ų | 91 | 111.3 Ų | 111.3 | 75% | 0.752 | 72% | 0.715 | S | S | * | * | | | trans | -154.8 | 108.5 | 165 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 461 | S | 46 | Very low | 57.2 | Low | 132 Ų | 132 | 110.9 Ų | 110.9 | 92% | 0.923 | 70% | 0.698 | S | S | * | * | | | trans | 42.6 | 109.5 | 135.8 | -49.6 | 0 | 0 | 0 | 0 | 119.8 | | |
| 462 | G | 43.4 | Very low | 59.6 | Low | 67 Ų | 67 | 110.1 Ų | 110.1 | 69% | 0.691 | 68% | 0.682 | S | S | * | * | | | trans | 151.7 | 93.5 | 156.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S464 | G462-S464 PolarHBondContact O-N 3.34Š|
| 463 | I | 56.1 | Low | 61.8 | Low | 174 Ų | 174 | 112.3 Ų | 112.3 | 89% | 0.892 | 67% | 0.671 | S | S | * | * | | | trans | -75.3 | 70.2 | 159.5 | -49.6 | 170.2 | 0 | 0 | 0 | 106.8 | | |
| 464 | S | 52.5 | Low | 63.8 | Low | 88 Ų | 88 | 111.2 Ų | 111.2 | 62% | 0.615 | 66% | 0.657 | S | S | * | * | | | trans | -57.8 | 131 | 170.7 | -66.2 | 0 | 0 | 0 | 0 | 107.9 | G462 I466 | G462-S464 PolarHBondContact O-N 3.34Å; S464-I466 WeakPolarHBondContact O-CG1 3.13Å; S464-I466 PolarHBondContact O-N 3.22Å |
| 465 | P | 55.9 | Low | 66 | Low | 133 Ų | 133 | 109.4 Ų | 109.4 | 86% | 0.864 | 64% | 0.643 | S | S | * | * | | | trans | -52.5 | 106.2 | 178.6 | -28.9 | 36.1 | 0 | 0 | 0 | 110.5 | D467 | P465-D467 PolarHBondContact O-N 3.31Å; P465-D467 VanDerWaalsContact O-N 3.12Å |
| 466 | I | 66.7 | Low | 68.3 | Low | 95 Ų | 95 | 109 Ų | 109 | 49% | 0.487 | 63% | 0.627 | S | S | . | * | | | trans | -74.9 | 109.2 | 179 | -54.7 | 175.5 | 0 | 0 | 0 | 105.8 | S464 L470 Q471 | S464-I466 WeakPolarHBondContact O-CG1 3.13Å; S464-I466 PolarHBondContact O-N 3.22Å; I466-L470 HydrophobicContact CG2-CD2 3.89Å; I466-Q471 HydrophobicContact CG2-CB 3.72Å; I466-Q471 HydrophobicContact CG2-CG 4Å |
| 467 | D | 78.3 | Confident | 70.6 | Confident | 87 Ų | 87 | 107.2 Ų | 107.2 | 47% | 0.465 | 61% | 0.606 | S | S | . | * | | | trans | -37.9 | 120 | 168.5 | 169.8 | 13.7 | 0 | 0 | 0 | 109.9 | P465 D469 L470 Q471 | P465-D467 PolarHBondContact O-N 3.31Å; P465-D467 VanDerWaalsContact O-N 3.12Å; D467-D469 PolarHBondContact O-N 3.37Å; D467-D469 PolarHBondContact OD1-N 3.11Å; D467-L470 HydrophobicContact CB-CB 4.01Å; D467-L470 WeakPolarHBondContact O-CB 3.31Å; D467-L470 PolarHBondContact O-N 2.9Å; D467-Q471 PolarHBondContact O-N 2.88Å |
| 468 | P | 80 | Confident | 73.1 | Confident | 87 Ų | 87 | 109.3 Ų | 109.3 | 57% | 0.565 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -54.4 | -41.7 | -172.6 | 20.1 | -32.7 | 0 | 0 | 0 | 111.8 | L470 Q471 E472 | P468-L470 VanDerWaalsContact C-N 3.31Å; P468-L470 PolarHBondContact O-N 3.05Å; P468-Q471 PolarHBondContact O-N 3.44Å; P468-E472 WeakPolarHBondContact O-CG 3.48Å; P468-E472 PolarHBondContact O-N 3.44Å |
| 469 | D | 87 | Confident | 75.6 | Confident | 102 Ų | 102 | 111.8 Ų | 111.8 | 55% | 0.545 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.9 | -38.1 | 179.8 | -75 | -1.9 | 0 | 0 | 0 | 112 | D467 R473 | D467-D469 PolarHBondContact O-N 3.37Å; D467-D469 PolarHBondContact OD1-N 3.11Å; D469-R473 VanDerWaalsContact O-CB 3.25Å; D469-R473 WeakPolarHBondContact O-CB 3.24Å; D469-R473 PolarHBondContact O-N 3.4Å |
| 470 | L | 89.3 | Confident | 78.2 | Confident | 78 Ų | 78 | 109 Ų | 109 | 41% | 0.408 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70.6 | -40 | 176.9 | -174.9 | 137.6 | 0 | 0 | 0 | 111.2 | I466 D467 P468 R473 I474 | I466-L470 HydrophobicContact CG2-CD2 3.89Å; D467-L470 HydrophobicContact CB-CB 4.01Å; D467-L470 WeakPolarHBondContact O-CB 3.31Å; D467-L470 PolarHBondContact O-N 2.9Å; P468-L470 VanDerWaalsContact C-N 3.31Å; P468-L470 PolarHBondContact O-N 3.05Å; L470-R473 PolarHBondContact O-N 3.47Å; L470-I474 HydrophobicContact CD2-CD1 3.64Å; L470-I474 HydrophobicContact CG-CD1 4.26Å; L470-I474 WeakPolarHBondContact O-CG1 3.32Å; L470-I474 PolarHBondContact O-N 3.44Å; L470-I474 VanDerWaalsContact O-N 3.08Å |
| 471 | Q | 88.9 | Confident | 80.6 | Confident | 78 Ų | 78 | 106.2 Ų | 106.2 | 36% | 0.364 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.9 | -43 | 175.4 | -151.8 | -167.2 | 61.8 | 0 | 0 | 111.4 | I466 D467 P468 I474 K475 | I466-Q471 HydrophobicContact CG2-CB 3.72Å; I466-Q471 HydrophobicContact CG2-CG 4Å; D467-Q471 PolarHBondContact O-N 2.88Å; P468-Q471 PolarHBondContact O-N 3.44Å; Q471-I474 PolarHBondContact O-N 3.33Å; Q471-K475 HydrophobicContact CG-CD 4.48Å; Q471-K475 WeakPolarHBondContact O-CB 3.46Å; Q471-K475 VanDerWaalsContact O-CG 3.26Å; Q471-K475 WeakPolarHBondContact O-CG 3.41Å; Q471-K475 PolarHBondContact O-N 3.47Å |
| 472 | E | 90 | Very high | 83 | Confident | 117 Ų | 117 | 107.2 Ų | 107.2 | 55% | 0.547 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 175.8 | -73 | -160.2 | 173.1 | 0 | 0 | 112.4 | P468 I474 K475 L476 | P468-E472 WeakPolarHBondContact O-CG 3.48Å; P468-E472 PolarHBondContact O-N 3.44Å; E472-I474 VanDerWaalsContact C-N 3.31Å; E472-I474 PolarHBondContact O-N 2.98Å; E472-K475 WeakPolarHBondContact O-CB 3.05Å; E472-K475 PolarHBondContact O-N 3.1Å; E472-K475 VanDerWaalsContact O-N 3.15Å; E472-L476 WeakPolarHBondContact O-CB 3.42Å; E472-L476 WeakPolarHBondContact O-CG 3.48Å; E472-L476 PolarHBondContact O-N 3.41Å |
| 473 | R | 93.9 | Very high | 85.6 | Confident | 168 Ų | 168 | 109.4 Ų | 109.4 | 63% | 0.634 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -57.1 | -43.2 | 176.9 | -169.2 | 177.1 | -61.2 | 148.2 | 7.9 | 111.9 | D469 L470 L476 E477 | D469-R473 VanDerWaalsContact O-CB 3.25Å; D469-R473 WeakPolarHBondContact O-CB 3.24Å; D469-R473 PolarHBondContact O-N 3.4Å; L470-R473 PolarHBondContact O-N 3.47Å; R473-L476 PolarHBondContact O-N 2.93Å; R473-E477 PolarHBondContact O-N 3.34Å |
| 474 | I | 90.9 | Very high | 87.6 | Confident | 77 Ų | 77 | 107.5 Ų | 107.5 | 40% | 0.395 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.9 | -43.2 | 176.2 | -66.8 | 169 | 0 | 0 | 0 | 111.3 | L470 Q471 E472 L476 E477 R478 | L470-I474 HydrophobicContact CD2-CD1 3.64Å; L470-I474 HydrophobicContact CG-CD1 4.26Å; L470-I474 WeakPolarHBondContact O-CG1 3.32Å; L470-I474 PolarHBondContact O-N 3.44Å; L470-I474 VanDerWaalsContact O-N 3.08Å; Q471-I474 PolarHBondContact O-N 3.33Å; E472-I474 VanDerWaalsContact C-N 3.31Å; E472-I474 PolarHBondContact O-N 2.98Å; I474-L476 VanDerWaalsContact C-N 3.32Å; I474-L476 PolarHBondContact O-N 3.25Å; I474-E477 PolarHBondContact O-N 3.08Å; I474-R478 WeakPolarHBondContact O-CB 3.32Å; I474-R478 VanDerWaalsContact O-CG 3.31Å; I474-R478 WeakPolarHBondContact O-CG 3.38Å; I474-R478 PolarHBondContact O-N 3.31Å |
| 475 | K | 94.6 | Very high | 89.8 | Confident | 108 Ų | 108 | 108 Ų | 108 | 47% | 0.47 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.3 | -43 | 175.1 | -76.2 | 164.8 | 171.9 | 172.8 | 0 | 111.3 | Q471 E472 K479 | Q471-K475 HydrophobicContact CG-CD 4.48Å; Q471-K475 WeakPolarHBondContact O-CB 3.46Å; Q471-K475 VanDerWaalsContact O-CG 3.26Å; Q471-K475 WeakPolarHBondContact O-CG 3.41Å; Q471-K475 PolarHBondContact O-N 3.47Å; E472-K475 WeakPolarHBondContact O-CB 3.05Å; E472-K475 PolarHBondContact O-N 3.1Å; E472-K475 VanDerWaalsContact O-N 3.15Å; K475-K479 WeakPolarHBondContact O-CG 3.47Å; K475-K479 PolarHBondContact O-N 3.33Å |
| 476 | L | 93.9 | Very high | 91.8 | Very high | 85 Ų | 85 | 104.1 Ų | 104.1 | 45% | 0.445 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.2 | -44.7 | 178.1 | -74.3 | 171.9 | 0 | 0 | 0 | 112.2 | E472 R473 I474 R478 K479 R480 | E472-L476 WeakPolarHBondContact O-CB 3.42Å; E472-L476 WeakPolarHBondContact O-CG 3.48Å; E472-L476 PolarHBondContact O-N 3.41Å; R473-L476 PolarHBondContact O-N 2.93Å; I474-L476 VanDerWaalsContact C-N 3.32Å; I474-L476 PolarHBondContact O-N 3.25Å; L476-R478 PolarHBondContact O-N 3.25Å; L476-K479 WeakPolarHBondContact O-CB 3.31Å; L476-K479 PolarHBondContact O-N 3.41Å; L476-K479 VanDerWaalsContact O-N 3.15Å; L476-R480 WeakPolarHBondContact O-CG 3.3Å; L476-R480 PolarHBondContact O-N 3.35Å |
| 477 | E | 96.2 | Very high | 93.3 | Very high | 76 Ų | 76 | 101.3 Ų | 101.3 | 36% | 0.355 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.7 | -34.7 | 178.8 | -168.5 | 50.7 | -138.9 | 0 | 0 | 112 | R473 I474 K479 R480 A481 R484 | R473-E477 PolarHBondContact O-N 3.34Å; I474-E477 PolarHBondContact O-N 3.08Å; E477-K479 PolarHBondContact O-N 3.22Å; E477-R480 PolarHBondContact O-N 3.09Å; E477-R480 VanDerWaalsContact OE2-CD 3.23Å; E477-R480 WeakPolarHBondContact OE2-CD 3.36Å; E477-R480 IonicContact OE2-NH1 2.76Å; E477-A481 WeakPolarHBondContact O-CB 3.46Å; E477-A481 PolarHBondContact O-N 2.91Å; E477-R484 IonicContact OE1-CZ 3.01Å; E477-R484 VanDerWaalsContact OE1-CZ 3.23Å; E477-R484 IonicContact OE1-NH1 2.78Å; E477-R484 PolarHBondContact OE1-NH1 2.83Å; E477-R484 IonicContact OE1-NH2 3.81Å; E477-R484 PolarHBondContact OE1-NH2 3.4Å |
| 478 | R | 96.6 | Very high | 94.3 | Very high | 164 Ų | 164 | 101.5 Ų | 101.5 | 62% | 0.619 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.9 | -40.3 | 168.8 | -71.5 | 176.4 | -177.6 | -174.1 | 2.4 | 112.2 | I474 L476 R482 | I474-R478 WeakPolarHBondContact O-CB 3.32Å; I474-R478 VanDerWaalsContact O-CG 3.31Å; I474-R478 WeakPolarHBondContact O-CG 3.38Å; I474-R478 PolarHBondContact O-N 3.31Å; L476-R478 PolarHBondContact O-N 3.25Å; R478-R482 WeakPolarHBondContact O-CG 3.44Å; R478-R482 PolarHBondContact O-N 3.47Å; R478-R482 VanDerWaalsContact O-N 3.1Å |
| 479 | K | 96.9 | Very high | 95.2 | Very high | 131 Ų | 131 | 102.7 Ų | 102.7 | 57% | 0.57 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.8 | -45.4 | 173.4 | -76.3 | 174.4 | 177.3 | -178.1 | 0 | 111.2 | K475 L476 E477 R482 N483 | K475-K479 WeakPolarHBondContact O-CG 3.47Å; K475-K479 PolarHBondContact O-N 3.33Å; L476-K479 WeakPolarHBondContact O-CB 3.31Å; L476-K479 PolarHBondContact O-N 3.41Å; L476-K479 VanDerWaalsContact O-N 3.15Å; E477-K479 PolarHBondContact O-N 3.22Å; K479-R482 PolarHBondContact O-N 3.16Å; K479-N483 WeakPolarHBondContact O-CB 3.36Å; K479-N483 PolarHBondContact O-N 3.43Å |
| 480 | R | 97.5 | Very high | 95.7 | Very high | 152 Ų | 152 | 101.8 Ų | 101.8 | 57% | 0.574 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.2 | -46.8 | 176.7 | -71.3 | 169.8 | 175.7 | -178.3 | -0.4 | 111.9 | L476 E477 R482 N483 R484 | L476-R480 WeakPolarHBondContact O-CG 3.3Å; L476-R480 PolarHBondContact O-N 3.35Å; E477-R480 PolarHBondContact O-N 3.09Å; E477-R480 VanDerWaalsContact OE2-CD 3.23Å; E477-R480 WeakPolarHBondContact OE2-CD 3.36Å; E477-R480 IonicContact OE2-NH1 2.76Å; R480-R482 PolarHBondContact O-N 3.06Å; R480-N483 PolarHBondContact O-N 3.03Å; R480-N483 VanDerWaalsContact O-N 3.15Å; R480-R484 WeakPolarHBondContact O-CG 3.35Å; R480-R484 PolarHBondContact O-N 3.33Å |
| 481 | A | 97.3 | Very high | 96.2 | Very high | 31 Ų | 31 | 106.7 Ų | 106.7 | 26% | 0.256 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.4 | -45.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E477 N483 R484 I485 | E477-A481 WeakPolarHBondContact O-CB 3.46Å; E477-A481 PolarHBondContact O-N 2.91Å; A481-N483 PolarHBondContact O-N 3.48Å; A481-R484 PolarHBondContact O-N 3.14Å; A481-I485 WeakPolarHBondContact O-CG1 3.41Å; A481-I485 PolarHBondContact O-N 2.94Å; A481-I485 VanDerWaalsContact O-N 3.13Å |
| 482 | R | 97.5 | Very high | 96.6 | Very high | 153 Ų | 153 | 110.1 Ų | 110.1 | 58% | 0.577 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.9 | -41.7 | 173.6 | -73.7 | -170.4 | -63.1 | -97.8 | 3.4 | 112.3 | R478 K479 R480 I485 A486 | R478-R482 WeakPolarHBondContact O-CG 3.44Å; R478-R482 PolarHBondContact O-N 3.47Å; R478-R482 VanDerWaalsContact O-N 3.1Å; K479-R482 PolarHBondContact O-N 3.16Å; R480-R482 PolarHBondContact O-N 3.06Å; R482-I485 PolarHBondContact O-N 3.18Å; R482-A486 WeakPolarHBondContact O-CB 3.3Å; R482-A486 PolarHBondContact O-N 3.38Å |
| 483 | N | 98.3 | Very high | 97 | Very high | 113 Ų | 113 | 111.9 Ų | 111.9 | 60% | 0.604 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.5 | -40.2 | 177.4 | -175.6 | -89.7 | 0 | 0 | 0 | 112.3 | K479 R480 A481 I485 A486 A487 | K479-N483 WeakPolarHBondContact O-CB 3.36Å; K479-N483 PolarHBondContact O-N 3.43Å; R480-N483 PolarHBondContact O-N 3.03Å; R480-N483 VanDerWaalsContact O-N 3.15Å; A481-N483 PolarHBondContact O-N 3.48Å; N483-I485 PolarHBondContact O-N 3.49Å; N483-A486 PolarHBondContact O-N 3.21Å; N483-A487 WeakPolarHBondContact O-CB 3.48Å; N483-A487 PolarHBondContact O-N 3.15Å |
| 484 | R | 98.1 | Very high | 97.3 | Very high | 134 Ų | 134 | 110.9 Ų | 110.9 | 51% | 0.506 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -55.5 | -49.7 | 172.3 | -70.6 | -171.5 | -64.7 | -99.4 | 6.7 | 111.1 | E477 R480 A481 A487 T488 | E477-R484 IonicContact OE1-CZ 3.01Å; E477-R484 VanDerWaalsContact OE1-CZ 3.23Å; E477-R484 IonicContact OE1-NH1 2.78Å; E477-R484 PolarHBondContact OE1-NH1 2.83Å; E477-R484 IonicContact OE1-NH2 3.81Å; E477-R484 PolarHBondContact OE1-NH2 3.4Å; R480-R484 WeakPolarHBondContact O-CG 3.35Å; R480-R484 PolarHBondContact O-N 3.33Å; A481-R484 PolarHBondContact O-N 3.14Å; R484-A487 PolarHBondContact O-N 3.49Å; R484-T488 PolarHBondContact O-N 3.05Å; R484-T488 VanDerWaalsContact O-N 3.09Å; R484-T488 PolarHBondContact O-OG1 3.43Å |
| 485 | I | 97.8 | Very high | 97.6 | Very high | 99 Ų | 99 | 111.9 Ų | 111.9 | 51% | 0.508 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 177.6 | -64.3 | 165.6 | 0 | 0 | 0 | 111.2 | A481 R482 N483 T488 K489 | A481-I485 WeakPolarHBondContact O-CG1 3.41Å; A481-I485 PolarHBondContact O-N 2.94Å; A481-I485 VanDerWaalsContact O-N 3.13Å; R482-I485 PolarHBondContact O-N 3.18Å; N483-I485 PolarHBondContact O-N 3.49Å; I485-T488 PolarHBondContact O-N 3.5Å; I485-K489 HydrophobicContact CG2-CD 4.21Å; I485-K489 HydrophobicContact CG2-CG 4.48Å; I485-K489 WeakPolarHBondContact O-CB 3.49Å; I485-K489 WeakPolarHBondContact O-CG 3.28Å; I485-K489 PolarHBondContact O-N 3.26Å |
| 486 | A | 98.3 | Very high | 97.8 | Very high | 52 Ų | 52 | 111 Ų | 111 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R482 N483 K489 C490 | R482-A486 WeakPolarHBondContact O-CB 3.3Å; R482-A486 PolarHBondContact O-N 3.38Å; N483-A486 PolarHBondContact O-N 3.21Å; A486-K489 CarbonylContact O-C 3.57Å; A486-K489 PolarHBondContact O-N 3.45Å; A486-C490 VanDerWaalsContact O-CB 3.28Å; A486-C490 WeakPolarHBondContact O-CB 3.41Å; A486-C490 PolarHBondContact O-N 2.87Å |
| 487 | A | 98.4 | Very high | 98 | Very high | 36 Ų | 36 | 111.5 Ų | 111.5 | 30% | 0.298 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | N483 R484 C490 R491 | N483-A487 WeakPolarHBondContact O-CB 3.48Å; N483-A487 PolarHBondContact O-N 3.15Å; R484-A487 PolarHBondContact O-N 3.49Å; A487-C490 WeakPolarHBondContact O-CB 3.42Å; A487-C490 PolarHBondContact O-N 3.22Å; A487-R491 WeakPolarHBondContact O-CG 3.49Å; A487-R491 PolarHBondContact O-N 2.89Å |
| 488 | T | 98.3 | Very high | 98.1 | Very high | 91 Ų | 91 | 111.3 Ų | 111.3 | 56% | 0.558 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.2 | -46.2 | 173.4 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | R484 I485 C490 R491 R492 | R484-T488 PolarHBondContact O-N 3.05Å; R484-T488 VanDerWaalsContact O-N 3.09Å; R484-T488 PolarHBondContact O-OG1 3.43Å; I485-T488 PolarHBondContact O-N 3.5Å; T488-C490 PolarHBondContact O-N 2.96Å; T488-R491 PolarHBondContact O-N 3.1Å; T488-R492 WeakPolarHBondContact O-CB 3.4Å; T488-R492 PolarHBondContact O-N 3.49Å |
| 489 | K | 98.7 | Very high | 98.2 | Very high | 112 Ų | 112 | 107.4 Ų | 107.4 | 49% | 0.487 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.6 | -25.2 | 175.4 | -73.1 | -175.9 | 178.3 | -171.9 | 0 | 113.7 | I485 A486 R493 | I485-K489 HydrophobicContact CG2-CD 4.21Å; I485-K489 HydrophobicContact CG2-CG 4.48Å; I485-K489 WeakPolarHBondContact O-CB 3.49Å; I485-K489 WeakPolarHBondContact O-CG 3.28Å; I485-K489 PolarHBondContact O-N 3.26Å; A486-K489 CarbonylContact O-C 3.57Å; A486-K489 PolarHBondContact O-N 3.45Å; K489-R493 WeakPolarHBondContact O-CB 3.48Å; K489-R493 WeakPolarHBondContact O-CG 3.49Å; K489-R493 PolarHBondContact O-N 3.37Å; K489-R493 PolarHBondContact O-NE 3.13Å; K489-R493 VanDerWaalsContact O-NE 3.1Å |
| 490 | C | 98.6 | Very high | 98.3 | Very high | 82 Ų | 82 | 105.3 Ų | 105.3 | 55% | 0.554 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -76.8 | -49.7 | 174.4 | -176 | 0 | 0 | 0 | 0 | 110.7 | A486 A487 T488 R492 R493 K494 | A486-C490 VanDerWaalsContact O-CB 3.28Å; A486-C490 WeakPolarHBondContact O-CB 3.41Å; A486-C490 PolarHBondContact O-N 2.87Å; A487-C490 WeakPolarHBondContact O-CB 3.42Å; A487-C490 PolarHBondContact O-N 3.22Å; T488-C490 PolarHBondContact O-N 2.96Å; C490-R492 VanDerWaalsContact C-N 3.34Å; C490-R492 PolarHBondContact O-N 3.15Å; C490-R493 PolarHBondContact O-N 2.74Å; C490-K494 PolarHBondContact O-N 3.37Å |
| 491 | R | 98.6 | Very high | 98.4 | Very high | 182 Ų | 182 | 101.9 Ų | 101.9 | 69% | 0.687 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -56.9 | -45.9 | 174.8 | -70.7 | 173.8 | -177 | -176.1 | 0 | 111.8 | A487 T488 K494 I495 | A487-R491 WeakPolarHBondContact O-CG 3.49Å; A487-R491 PolarHBondContact O-N 2.89Å; T488-R491 PolarHBondContact O-N 3.1Å; R491-K494 PolarHBondContact O-N 3.44Å; R491-I495 WeakPolarHBondContact O-CG1 3.36Å; R491-I495 PolarHBondContact O-N 2.85Å |
| 492 | R | 98.6 | Very high | 98.4 | Very high | 150 Ų | 150 | 106 Ų | 106 | 57% | 0.566 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.2 | -50 | 178.2 | -158.3 | -173 | 73.6 | -171.4 | 5.3 | 111.7 | T488 C490 K494 I495 E496 | T488-R492 WeakPolarHBondContact O-CB 3.4Å; T488-R492 PolarHBondContact O-N 3.49Å; C490-R492 VanDerWaalsContact C-N 3.34Å; C490-R492 PolarHBondContact O-N 3.15Å; R492-K494 VanDerWaalsContact C-N 3.3Å; R492-K494 PolarHBondContact O-N 3.41Å; R492-I495 PolarHBondContact O-N 2.81Å; R492-I495 VanDerWaalsContact O-N 3.11Å; R492-E496 WeakPolarHBondContact CD-OE1 3.45Å; R492-E496 WeakPolarHBondContact CG-OE1 3.42Å; R492-E496 IonicContact CZ-OE1 3.23Å; R492-E496 IonicContact NE-OE1 3.73Å; R492-E496 PolarHBondContact NE-OE1 3.31Å; R492-E496 IonicContact NH2-OE1 2.74Å; R492-E496 VanDerWaalsContact O-CG 3.31Å; R492-E496 WeakPolarHBondContact O-CG 3.47Å; R492-E496 PolarHBondContact O-N 2.83Å |
| 493 | R | 98.6 | Very high | 98.5 | Very high | 153 Ų | 153 | 102.4 Ų | 102.4 | 58% | 0.577 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62 | -32.7 | 176.4 | -80.5 | -175.7 | -78.9 | -170.1 | 0.6 | 113.8 | K489 C490 E496 K497 | K489-R493 WeakPolarHBondContact O-CB 3.48Å; K489-R493 WeakPolarHBondContact O-CG 3.49Å; K489-R493 PolarHBondContact O-N 3.37Å; K489-R493 PolarHBondContact O-NE 3.13Å; K489-R493 VanDerWaalsContact O-NE 3.1Å; C490-R493 PolarHBondContact O-N 2.74Å; R493-E496 WeakPolarHBondContact CA-OE2 3.34Å; R493-E496 VanDerWaalsContact CG-OE2 3.32Å; R493-E496 WeakPolarHBondContact CG-OE2 3.35Å; R493-K497 WeakPolarHBondContact O-CB 3.28Å; R493-K497 PolarHBondContact O-N 3.23Å |
| 494 | K | 98.7 | Very high | 98.5 | Very high | 148 Ų | 148 | 101.6 Ų | 101.6 | 64% | 0.643 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.1 | -42.3 | 173.1 | -173.3 | 174.2 | 179.4 | 177.6 | 0 | 111.6 | C490 R491 R492 K497 I498 | C490-K494 PolarHBondContact O-N 3.37Å; R491-K494 PolarHBondContact O-N 3.44Å; R492-K494 VanDerWaalsContact C-N 3.3Å; R492-K494 PolarHBondContact O-N 3.41Å; K494-K497 PolarHBondContact O-N 3.23Å; K494-I498 HydrophobicContact CG-CD1 4.09Å; K494-I498 WeakPolarHBondContact O-CD1 3.48Å; K494-I498 VanDerWaalsContact O-CG1 3.28Å; K494-I498 WeakPolarHBondContact O-CG1 3.31Å; K494-I498 PolarHBondContact O-N 3.41Å |
| 495 | I | 98.4 | Very high | 98.5 | Very high | 98 Ų | 98 | 100 Ų | 100 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68 | -48.9 | 177.1 | -63.4 | 162 | 0 | 0 | 0 | 110.4 | R491 R492 K497 I498 N499 | R491-I495 WeakPolarHBondContact O-CG1 3.36Å; R491-I495 PolarHBondContact O-N 2.85Å; R492-I495 PolarHBondContact O-N 2.81Å; R492-I495 VanDerWaalsContact O-N 3.11Å; I495-K497 PolarHBondContact O-N 3.34Å; I495-I498 PolarHBondContact O-N 3.05Å; I495-N499 PolarHBondContact O-N 3.08Å; I495-N499 PolarHBondContact O-OD1 3.27Å |
| 496 | E | 98.7 | Very high | 98.6 | Very high | 89 Ų | 89 | 103.7 Ų | 103.7 | 42% | 0.416 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -49.1 | -44 | 173.1 | -70.4 | 161.6 | -173.6 | 0 | 0 | 110.9 | R492 R493 E500 | R492-E496 WeakPolarHBondContact CD-OE1 3.45Å; R492-E496 WeakPolarHBondContact CG-OE1 3.42Å; R492-E496 IonicContact CZ-OE1 3.23Å; R492-E496 IonicContact NE-OE1 3.73Å; R492-E496 PolarHBondContact NE-OE1 3.31Å; R492-E496 IonicContact NH2-OE1 2.74Å; R492-E496 VanDerWaalsContact O-CG 3.31Å; R492-E496 WeakPolarHBondContact O-CG 3.47Å; R492-E496 PolarHBondContact O-N 2.83Å; R493-E496 WeakPolarHBondContact CA-OE2 3.34Å; R493-E496 VanDerWaalsContact CG-OE2 3.32Å; R493-E496 WeakPolarHBondContact CG-OE2 3.35Å; E496-E500 WeakPolarHBondContact O-CB 3.37Å; E496-E500 PolarHBondContact O-N 3.01Å |
| 497 | K | 98.6 | Very high | 98.6 | Very high | 96 Ų | 96 | 105.9 Ų | 105.9 | 42% | 0.417 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -73 | -32 | 179.2 | -169.1 | 53.9 | 172.6 | -170.9 | 0 | 114.6 | R493 K494 I495 E500 L501 | R493-K497 WeakPolarHBondContact O-CB 3.28Å; R493-K497 PolarHBondContact O-N 3.23Å; K494-K497 PolarHBondContact O-N 3.23Å; I495-K497 PolarHBondContact O-N 3.34Å; K497-E500 WeakPolarHBondContact CD-OE2 3.37Å; K497-E500 WeakPolarHBondContact CE-OE2 3.23Å; K497-E500 IonicContact NZ-OE1 3.49Å; K497-E500 PolarHBondContact NZ-OE1 3.48Å; K497-E500 IonicContact NZ-OE2 2.65Å; K497-E500 PolarHBondContact NZ-OE2 2.99Å; K497-L501 HydrophobicContact CG-CD1 4.33Å; K497-L501 WeakPolarHBondContact O-CD1 3.35Å; K497-L501 VanDerWaalsContact O-CG 3.3Å; K497-L501 WeakPolarHBondContact O-CG 3.41Å; K497-L501 PolarHBondContact O-N 2.93Å |
| 498 | I | 98.3 | Very high | 98.6 | Very high | 72 Ų | 72 | 108.6 Ų | 108.6 | 37% | 0.369 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.9 | -52.3 | 174.2 | -73.7 | 163.1 | 0 | 0 | 0 | 108.9 | K494 I495 E500 L501 E502 | K494-I498 HydrophobicContact CG-CD1 4.09Å; K494-I498 WeakPolarHBondContact O-CD1 3.48Å; K494-I498 VanDerWaalsContact O-CG1 3.28Å; K494-I498 WeakPolarHBondContact O-CG1 3.31Å; K494-I498 PolarHBondContact O-N 3.41Å; I495-I498 PolarHBondContact O-N 3.05Å; I498-E500 VanDerWaalsContact C-N 3.31Å; I498-E500 PolarHBondContact O-N 3.15Å; I498-L501 WeakPolarHBondContact O-CB 3.48Å; I498-L501 PolarHBondContact O-N 3.43Å; I498-E502 HydrophobicContact CG2-CG 4.33Å; I498-E502 VanDerWaalsContact CG2-OE1 3.3Å; I498-E502 WeakPolarHBondContact CG2-OE1 3.45Å; I498-E502 WeakPolarHBondContact O-CG 3.44Å; I498-E502 PolarHBondContact O-N 2.81Å |
| 499 | N | 98.7 | Very high | 98.6 | Very high | 82 Ų | 82 | 107.8 Ų | 107.8 | 44% | 0.439 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.1 | -44.1 | 178.4 | -60.6 | 18.9 | 0 | 0 | 0 | 111.5 | I495 L501 E502 T503 | I495-N499 PolarHBondContact O-N 3.08Å; I495-N499 PolarHBondContact O-OD1 3.27Å; N499-L501 PolarHBondContact O-N 3.4Å; N499-E502 PolarHBondContact O-N 3.16Å; N499-T503 PolarHBondContact O-N 2.8Å; N499-T503 PolarHBondContact O-OG1 2.76Å; N499-T503 VanDerWaalsContact O-OG1 3.1Å |
| 500 | E | 98.6 | Very high | 98.6 | Very high | 86 Ų | 86 | 104.5 Ų | 104.5 | 40% | 0.402 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.7 | -27.3 | 177.2 | -166.9 | -144.7 | 127.4 | 0 | 0 | 113.6 | E496 K497 I498 R504 | E496-E500 WeakPolarHBondContact O-CB 3.37Å; E496-E500 PolarHBondContact O-N 3.01Å; K497-E500 WeakPolarHBondContact CD-OE2 3.37Å; K497-E500 WeakPolarHBondContact CE-OE2 3.23Å; K497-E500 IonicContact NZ-OE1 3.49Å; K497-E500 PolarHBondContact NZ-OE1 3.48Å; K497-E500 IonicContact NZ-OE2 2.65Å; K497-E500 PolarHBondContact NZ-OE2 2.99Å; I498-E500 VanDerWaalsContact C-N 3.31Å; I498-E500 PolarHBondContact O-N 3.15Å; E500-R504 WeakPolarHBondContact O-CG 3.33Å; E500-R504 PolarHBondContact O-NE 2.96Å; E500-R504 IonicContact OE1-CZ 3.52Å; E500-R504 IonicContact OE1-NE 3.27Å; E500-R504 PolarHBondContact OE1-NE 3.16Å; E500-R504 IonicContact OE1-NH2 2.72Å; E500-R504 PolarHBondContact OE1-NH2 3.47Å |
| 501 | L | 98.7 | Very high | 98.6 | Very high | 80 Ų | 80 | 106.3 Ų | 106.3 | 42% | 0.419 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -82.1 | -41.1 | 174.2 | -73.6 | 166.5 | 0 | 0 | 0 | 111.2 | K497 I498 N499 R504 V505 | K497-L501 HydrophobicContact CG-CD1 4.33Å; K497-L501 WeakPolarHBondContact O-CD1 3.35Å; K497-L501 VanDerWaalsContact O-CG 3.3Å; K497-L501 WeakPolarHBondContact O-CG 3.41Å; K497-L501 PolarHBondContact O-N 2.93Å; I498-L501 WeakPolarHBondContact O-CB 3.48Å; I498-L501 PolarHBondContact O-N 3.43Å; N499-L501 PolarHBondContact O-N 3.4Å; L501-R504 VanDerWaalsContact CD2-NH2 3.35Å; L501-R504 PolarHBondContact O-N 3.12Å; L501-V505 WeakPolarHBondContact O-CG2 3.28Å; L501-V505 PolarHBondContact O-N 3.3Å |
| 502 | E | 98.6 | Very high | 98.6 | Very high | 119 Ų | 119 | 102.2 Ų | 102.2 | 56% | 0.556 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.2 | -45.1 | 176.6 | -70.6 | 169.6 | 167.8 | 0 | 0 | 111.6 | I498 N499 R504 V505 Y506 | I498-E502 HydrophobicContact CG2-CG 4.33Å; I498-E502 VanDerWaalsContact CG2-OE1 3.3Å; I498-E502 WeakPolarHBondContact CG2-OE1 3.45Å; I498-E502 WeakPolarHBondContact O-CG 3.44Å; I498-E502 PolarHBondContact O-N 2.81Å; N499-E502 PolarHBondContact O-N 3.16Å; E502-R504 PolarHBondContact O-N 3.23Å; E502-V505 PolarHBondContact O-N 3.41Å; E502-Y506 PolarHBondContact O-N 3.06Å |
| 503 | T | 98.6 | Very high | 98.6 | Very high | 76 Ų | 76 | 101.6 Ų | 101.6 | 47% | 0.466 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.7 | -47 | 173.7 | -56.7 | 0 | 0 | 0 | 0 | 111.8 | N499 V505 Y506 E507 | N499-T503 PolarHBondContact O-N 2.8Å; N499-T503 PolarHBondContact O-OG1 2.76Å; N499-T503 VanDerWaalsContact O-OG1 3.1Å; T503-V505 PolarHBondContact O-N 3.29Å; T503-Y506 WeakPolarHBondContact O-CB 3.32Å; T503-Y506 PolarHBondContact O-N 2.85Å; T503-E507 HydrophobicContact CG2-CG 4.49Å; T503-E507 WeakPolarHBondContact O-CG 3.49Å; T503-E507 PolarHBondContact O-N 3Å |
| 504 | R | 98.6 | Very high | 98.6 | Very high | 96 Ų | 96 | 98.2 Ų | 98.2 | 36% | 0.362 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.1 | -33.9 | 179.7 | -76.8 | -175.2 | -72.4 | 133.9 | -7.2 | 113.2 | E500 L501 E502 Y506 I508 | E500-R504 WeakPolarHBondContact O-CG 3.33Å; E500-R504 PolarHBondContact O-NE 2.96Å; E500-R504 IonicContact OE1-CZ 3.52Å; E500-R504 IonicContact OE1-NE 3.27Å; E500-R504 PolarHBondContact OE1-NE 3.16Å; E500-R504 IonicContact OE1-NH2 2.72Å; E500-R504 PolarHBondContact OE1-NH2 3.47Å; L501-R504 VanDerWaalsContact CD2-NH2 3.35Å; L501-R504 PolarHBondContact O-N 3.12Å; E502-R504 PolarHBondContact O-N 3.23Å; R504-Y506 VanDerWaalsContact C-N 3.35Å; R504-I508 WeakPolarHBondContact O-CB 3.45Å; R504-I508 WeakPolarHBondContact O-CD1 3.42Å; R504-I508 VanDerWaalsContact O-CG1 3.24Å; R504-I508 WeakPolarHBondContact O-CG1 3.36Å; R504-I508 PolarHBondContact O-N 3.3Å |
| 505 | V | 98.8 | Very high | 98.6 | Very high | 101 Ų | 101 | 96.3 Ų | 96.3 | 61% | 0.612 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.3 | -41.8 | 171.9 | 167.6 | 0 | 0 | 0 | 0 | 110.5 | L501 E502 T503 S509 | L501-V505 WeakPolarHBondContact O-CG2 3.28Å; L501-V505 PolarHBondContact O-N 3.3Å; E502-V505 PolarHBondContact O-N 3.41Å; T503-V505 PolarHBondContact O-N 3.29Å; V505-S509 WeakPolarHBondContact O-CB 3.26Å; V505-S509 PolarHBondContact O-N 3.31Å |
| 506 | Y | 98.5 | Very high | 98.6 | Very high | 177 Ų | 177 | 95.4 Ų | 95.4 | 69% | 0.694 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.8 | -47.8 | 175.2 | 179.5 | -94.8 | 0 | 0 | 0 | 112.3 | E502 T503 R504 S509 A510 | E502-Y506 PolarHBondContact O-N 3.06Å; T503-Y506 WeakPolarHBondContact O-CB 3.32Å; T503-Y506 PolarHBondContact O-N 2.85Å; R504-Y506 VanDerWaalsContact C-N 3.35Å; Y506-S509 PolarHBondContact O-N 3.07Å; Y506-A510 WeakPolarHBondContact O-CB 3.27Å; Y506-A510 PolarHBondContact O-N 3.24Å |
| 507 | E | 98.6 | Very high | 98.6 | Very high | 98 Ų | 98 | 96.1 Ų | 96.1 | 46% | 0.458 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.2 | -49.9 | 177.3 | -72.3 | 169.1 | 174.8 | 0 | 0 | 112.3 | T503 S509 A510 Q511 | T503-E507 HydrophobicContact CG2-CG 4.49Å; T503-E507 WeakPolarHBondContact O-CG 3.49Å; T503-E507 PolarHBondContact O-N 3Å; E507-S509 VanDerWaalsContact C-N 3.32Å; E507-S509 PolarHBondContact O-N 2.89Å; E507-A510 PolarHBondContact O-N 3.45Å; E507-Q511 WeakPolarHBondContact O-CG 3.47Å; E507-Q511 PolarHBondContact O-N 3.34Å |
| 508 | I | 98.5 | Very high | 98.6 | Very high | 93 Ų | 93 | 99.5 Ų | 99.5 | 48% | 0.477 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.2 | -37.7 | 179.1 | -68 | 167.7 | 0 | 0 | 0 | 110.7 | R504 Q511 N512 | R504-I508 WeakPolarHBondContact O-CB 3.45Å; R504-I508 WeakPolarHBondContact O-CD1 3.42Å; R504-I508 VanDerWaalsContact O-CG1 3.24Å; R504-I508 WeakPolarHBondContact O-CG1 3.36Å; R504-I508 PolarHBondContact O-N 3.3Å; I508-Q511 PolarHBondContact O-N 2.93Å; I508-N512 VanDerWaalsContact O-CB 3.31Å; I508-N512 WeakPolarHBondContact O-CB 3.35Å; I508-N512 PolarHBondContact O-N 3.34Å; I508-N512 PolarHBondContact O-ND2 3.09Å |
| 509 | S | 98.6 | Very high | 98.6 | Very high | 73 Ų | 73 | 100 Ų | 100 | 51% | 0.51 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 175 | -174 | 0 | 0 | 0 | 0 | 112 | V505 Y506 E507 N512 K513 | V505-S509 WeakPolarHBondContact O-CB 3.26Å; V505-S509 PolarHBondContact O-N 3.31Å; Y506-S509 PolarHBondContact O-N 3.07Å; E507-S509 VanDerWaalsContact C-N 3.32Å; E507-S509 PolarHBondContact O-N 2.89Å; S509-N512 PolarHBondContact O-N 3.4Å; S509-K513 WeakPolarHBondContact O-CB 3.45Å; S509-K513 PolarHBondContact O-N 3.15Å |
| 510 | A | 98.6 | Very high | 98.6 | Very high | 44 Ų | 44 | 99.3 Ų | 99.3 | 36% | 0.364 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y506 E507 K513 T514 | Y506-A510 WeakPolarHBondContact O-CB 3.27Å; Y506-A510 PolarHBondContact O-N 3.24Å; E507-A510 PolarHBondContact O-N 3.45Å; A510-K513 WeakPolarHBondContact O-CB 3.21Å; A510-K513 PolarHBondContact O-N 2.97Å; A510-T514 PolarHBondContact O-N 2.8Å; A510-T514 PolarHBondContact O-OG1 3.08Å |
| 511 | Q | 98.6 | Very high | 98.5 | Very high | 119 Ų | 119 | 100.9 Ų | 100.9 | 56% | 0.556 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.6 | -48.2 | 175 | -72.4 | 176.6 | 5.1 | 0 | 0 | 111.7 | E507 I508 K513 T514 M515 | E507-Q511 WeakPolarHBondContact O-CG 3.47Å; E507-Q511 PolarHBondContact O-N 3.34Å; I508-Q511 PolarHBondContact O-N 2.93Å; Q511-K513 VanDerWaalsContact C-N 3.29Å; Q511-K513 PolarHBondContact O-N 3.43Å; Q511-T514 PolarHBondContact O-N 3.46Å; Q511-T514 VanDerWaalsContact O-N 3.13Å; Q511-M515 WeakPolarHBondContact O-CG 3.25Å; Q511-M515 PolarHBondContact O-N 2.95Å |
| 512 | N | 98.4 | Very high | 98.5 | Very high | 96 Ų | 96 | 101.5 Ų | 101.5 | 51% | 0.513 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.3 | -41.6 | 176.7 | -76.3 | -18.7 | 0 | 0 | 0 | 111.6 | I508 S509 T514 M515 V516 | I508-N512 VanDerWaalsContact O-CB 3.31Å; I508-N512 WeakPolarHBondContact O-CB 3.35Å; I508-N512 PolarHBondContact O-N 3.34Å; I508-N512 PolarHBondContact O-ND2 3.09Å; S509-N512 PolarHBondContact O-N 3.4Å; N512-T514 PolarHBondContact O-N 3.34Å; N512-M515 PolarHBondContact O-N 3.13Å; N512-V516 WeakPolarHBondContact O-CG2 2.99Å; N512-V516 PolarHBondContact O-N 3.5Å |
| 513 | K | 98.5 | Very high | 98.5 | Very high | 137 Ų | 137 | 103.2 Ų | 103.2 | 60% | 0.596 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.7 | -45.7 | 174.7 | -175 | 178.1 | 180 | 179.1 | 0 | 111.8 | S509 A510 Q511 V516 Q517 | S509-K513 WeakPolarHBondContact O-CB 3.45Å; S509-K513 PolarHBondContact O-N 3.15Å; A510-K513 WeakPolarHBondContact O-CB 3.21Å; A510-K513 PolarHBondContact O-N 2.97Å; Q511-K513 VanDerWaalsContact C-N 3.29Å; Q511-K513 PolarHBondContact O-N 3.43Å; K513-V516 PolarHBondContact O-N 3.45Å; K513-Q517 WeakPolarHBondContact O-CB 3.48Å; K513-Q517 VanDerWaalsContact O-CG 3.28Å; K513-Q517 WeakPolarHBondContact O-CG 3.4Å; K513-Q517 PolarHBondContact O-N 2.66Å |
| 514 | T | 98.4 | Very high | 98.5 | Very high | 82 Ų | 82 | 104.2 Ų | 104.2 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.4 | -39.3 | 175.9 | -60.1 | 0 | 0 | 0 | 0 | 112.4 | A510 Q511 N512 Q517 R518 | A510-T514 PolarHBondContact O-N 2.8Å; A510-T514 PolarHBondContact O-OG1 3.08Å; Q511-T514 PolarHBondContact O-N 3.46Å; Q511-T514 VanDerWaalsContact O-N 3.13Å; N512-T514 PolarHBondContact O-N 3.34Å; T514-Q517 PolarHBondContact O-N 3.22Å; T514-R518 WeakPolarHBondContact O-CB 3.47Å; T514-R518 PolarHBondContact O-N 2.92Å |
| 515 | M | 98.3 | Very high | 98.5 | Very high | 108 Ų | 108 | 103 Ų | 103 | 53% | 0.532 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.7 | -42 | 177.2 | -65.1 | -57 | 169.7 | 0 | 0 | 111.9 | Q511 N512 R518 I519 | Q511-M515 WeakPolarHBondContact O-CG 3.25Å; Q511-M515 PolarHBondContact O-N 2.95Å; N512-M515 PolarHBondContact O-N 3.13Å; M515-R518 PolarHBondContact O-N 3.01Å; M515-I519 VanDerWaalsContact O-CG1 3.29Å; M515-I519 WeakPolarHBondContact O-CG1 3.37Å; M515-I519 PolarHBondContact O-N 2.9Å |
| 516 | V | 98.5 | Very high | 98.4 | Very high | 80 Ų | 80 | 101.5 Ų | 101.5 | 49% | 0.485 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62 | -47.3 | 173.8 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | N512 K513 R518 I519 D520 | N512-V516 WeakPolarHBondContact O-CG2 2.99Å; N512-V516 PolarHBondContact O-N 3.5Å; K513-V516 PolarHBondContact O-N 3.45Å; V516-R518 VanDerWaalsContact C-N 3.29Å; V516-R518 PolarHBondContact O-N 2.82Å; V516-I519 WeakPolarHBondContact O-CB 3.43Å; V516-I519 PolarHBondContact O-N 3.33Å; V516-I519 VanDerWaalsContact O-N 3.09Å; V516-D520 PolarHBondContact O-N 2.78Å |
| 517 | Q | 98.6 | Very high | 98.4 | Very high | 103 Ų | 103 | 96.4 Ų | 96.4 | 48% | 0.481 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -55.9 | -42 | 174.8 | -75.1 | 173.4 | -28.7 | 0 | 0 | 112.4 | K513 T514 D520 L521 | K513-Q517 WeakPolarHBondContact O-CB 3.48Å; K513-Q517 VanDerWaalsContact O-CG 3.28Å; K513-Q517 WeakPolarHBondContact O-CG 3.4Å; K513-Q517 PolarHBondContact O-N 2.66Å; T514-Q517 PolarHBondContact O-N 3.22Å; Q517-D520 PolarHBondContact O-N 3.42Å; Q517-L521 WeakPolarHBondContact O-CG 3.36Å; Q517-L521 PolarHBondContact O-N 3.35Å |
| 518 | R | 98.6 | Very high | 98.4 | Very high | 168 Ų | 168 | 98.8 Ų | 98.8 | 63% | 0.634 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.6 | -40.1 | 176.2 | -173.4 | 175.7 | -177.6 | 169.6 | 0.8 | 112.3 | T514 M515 V516 D520 L522 | T514-R518 WeakPolarHBondContact O-CB 3.47Å; T514-R518 PolarHBondContact O-N 2.92Å; M515-R518 PolarHBondContact O-N 3.01Å; V516-R518 VanDerWaalsContact C-N 3.29Å; V516-R518 PolarHBondContact O-N 2.82Å; R518-D520 VanDerWaalsContact C-N 3.34Å; R518-L522 HydrophobicContact CG-CD1 4.17Å; R518-L522 WeakPolarHBondContact O-CB 3.29Å; R518-L522 VanDerWaalsContact O-CG 3.28Å; R518-L522 WeakPolarHBondContact O-CG 3.43Å; R518-L522 PolarHBondContact O-N 3.14Å |
| 519 | I | 98.5 | Very high | 98.3 | Very high | 81 Ų | 81 | 99.3 Ų | 99.3 | 42% | 0.415 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 175 | -73 | 164 | 0 | 0 | 0 | 110.4 | M515 V516 L522 R523 | M515-I519 VanDerWaalsContact O-CG1 3.29Å; M515-I519 WeakPolarHBondContact O-CG1 3.37Å; M515-I519 PolarHBondContact O-N 2.9Å; V516-I519 WeakPolarHBondContact O-CB 3.43Å; V516-I519 PolarHBondContact O-N 3.33Å; V516-I519 VanDerWaalsContact O-N 3.09Å; I519-L522 PolarHBondContact O-N 2.93Å; I519-R523 HydrophobicContact CG2-CG 4.41Å; I519-R523 WeakPolarHBondContact O-CB 3.45Å; I519-R523 VanDerWaalsContact O-CG 3.24Å; I519-R523 WeakPolarHBondContact O-CG 3.34Å; I519-R523 PolarHBondContact O-N 2.85Å |
| 520 | D | 98.5 | Very high | 98.2 | Very high | 69 Ų | 69 | 104.5 Ų | 104.5 | 37% | 0.369 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.3 | -38.9 | -179.1 | -67.1 | -29.4 | 0 | 0 | 0 | 112.4 | V516 Q517 R518 R523 V524 | V516-D520 PolarHBondContact O-N 2.78Å; Q517-D520 PolarHBondContact O-N 3.42Å; R518-D520 VanDerWaalsContact C-N 3.34Å; D520-R523 PolarHBondContact O-N 2.98Å; D520-R523 IonicContact OD1-CZ 2.78Å; D520-R523 IonicContact OD1-NH1 3.33Å; D520-R523 PolarHBondContact OD1-NH1 3.18Å; D520-V524 WeakPolarHBondContact O-CG2 3.33Å; D520-V524 PolarHBondContact O-N 2.72Å |
| 521 | L | 98.3 | Very high | 98.1 | Very high | 118 Ų | 118 | 108.6 Ų | 108.6 | 62% | 0.618 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58.2 | -48.1 | 169.4 | -72.3 | 171.7 | 0 | 0 | 0 | 111.7 | Q517 R523 V524 D525 | Q517-L521 WeakPolarHBondContact O-CG 3.36Å; Q517-L521 PolarHBondContact O-N 3.35Å; L521-R523 VanDerWaalsContact C-N 3.32Å; L521-R523 PolarHBondContact O-N 2.9Å; L521-V524 PolarHBondContact O-N 3.48Å; L521-D525 PolarHBondContact O-N 3.45Å |
| 522 | L | 98.4 | Very high | 97.9 | Very high | 94 Ų | 94 | 105.9 Ų | 105.9 | 49% | 0.492 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.4 | -34.1 | 178 | -71.5 | 171.1 | 0 | 0 | 0 | 112.5 | R518 I519 D525 V526 | R518-L522 HydrophobicContact CG-CD1 4.17Å; R518-L522 WeakPolarHBondContact O-CB 3.29Å; R518-L522 VanDerWaalsContact O-CG 3.28Å; R518-L522 WeakPolarHBondContact O-CG 3.43Å; R518-L522 PolarHBondContact O-N 3.14Å; I519-L522 PolarHBondContact O-N 2.93Å; L522-D525 PolarHBondContact O-N 3.39Å; L522-V526 WeakPolarHBondContact O-CB 3.44Å; L522-V526 VanDerWaalsContact O-CG2 3.24Å; L522-V526 WeakPolarHBondContact O-CG2 3.19Å; L522-V526 PolarHBondContact O-N 3.32Å |
| 523 | R | 98.3 | Very high | 97.7 | Very high | 154 Ų | 154 | 105.3 Ų | 105.3 | 58% | 0.581 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.7 | -41.7 | 173.2 | -76.1 | 164 | 170.7 | 173.8 | -5.3 | 111.9 | I519 D520 L521 T527 | I519-R523 HydrophobicContact CG2-CG 4.41Å; I519-R523 WeakPolarHBondContact O-CB 3.45Å; I519-R523 VanDerWaalsContact O-CG 3.24Å; I519-R523 WeakPolarHBondContact O-CG 3.34Å; I519-R523 PolarHBondContact O-N 2.85Å; D520-R523 PolarHBondContact O-N 2.98Å; D520-R523 IonicContact OD1-CZ 2.78Å; D520-R523 IonicContact OD1-NH1 3.33Å; D520-R523 PolarHBondContact OD1-NH1 3.18Å; L521-R523 VanDerWaalsContact C-N 3.32Å; L521-R523 PolarHBondContact O-N 2.9Å; R523-T527 WeakPolarHBondContact O-CB 3.41Å; R523-T527 PolarHBondContact O-N 3.3Å; R523-T527 PolarHBondContact O-OG1 3.2Å |
| 524 | V | 98.3 | Very high | 97.4 | Very high | 98 Ų | 98 | 102.4 Ų | 102.4 | 59% | 0.594 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.6 | -46.8 | 174.5 | 172.2 | 0 | 0 | 0 | 0 | 110.3 | D520 L521 T527 R528 | D520-V524 WeakPolarHBondContact O-CG2 3.33Å; D520-V524 PolarHBondContact O-N 2.72Å; L521-V524 PolarHBondContact O-N 3.48Å; V524-T527 PolarHBondContact O-N 3.48Å; V524-R528 WeakPolarHBondContact O-CB 3.39Å; V524-R528 PolarHBondContact O-N 3.42Å |
| 525 | D | 98.3 | Very high | 97.3 | Very high | 69 Ų | 69 | 105.1 Ų | 105.1 | 37% | 0.369 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 178.7 | -87.9 | -34 | 0 | 0 | 0 | 113.4 | L521 L522 T527 R528 L529 | L521-D525 PolarHBondContact O-N 3.45Å; L522-D525 PolarHBondContact O-N 3.39Å; D525-T527 VanDerWaalsContact C-N 3.28Å; D525-T527 PolarHBondContact O-N 3.12Å; D525-R528 PolarHBondContact O-N 3.02Å; D525-R528 IonicContact OD1-CZ 3.47Å; D525-R528 VanDerWaalsContact OD1-CZ 3.27Å; D525-R528 IonicContact OD1-NE 2.72Å; D525-R528 PolarHBondContact OD1-NE 3.37Å; D525-R528 IonicContact OD1-NH2 2.69Å; D525-R528 PolarHBondContact OD1-NH2 2.76Å; D525-L529 VanDerWaalsContact O-CB 3.27Å; D525-L529 WeakPolarHBondContact O-CB 3.32Å; D525-L529 PolarHBondContact O-N 3.22Å |
| 526 | V | 98.1 | Very high | 97.1 | Very high | 70 Ų | 70 | 104.1 Ų | 104.1 | 42% | 0.424 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.1 | -37.6 | 173.7 | 167.5 | 0 | 0 | 0 | 0 | 111.2 | L522 R530 | L522-V526 WeakPolarHBondContact O-CB 3.44Å; L522-V526 VanDerWaalsContact O-CG2 3.24Å; L522-V526 WeakPolarHBondContact O-CG2 3.19Å; L522-V526 PolarHBondContact O-N 3.32Å; V526-R530 WeakPolarHBondContact O-CB 3.46Å; V526-R530 WeakPolarHBondContact O-CD 3.49Å; V526-R530 WeakPolarHBondContact O-CG 3.31Å; V526-R530 PolarHBondContact O-N 2.78Å |
| 527 | T | 97.9 | Very high | 96.8 | Very high | 71 Ų | 71 | 108 Ų | 108 | 44% | 0.436 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.9 | -49.7 | 177.4 | -54.6 | 0 | 0 | 0 | 0 | 111 | R523 V524 D525 L529 R530 E531 | R523-T527 WeakPolarHBondContact O-CB 3.41Å; R523-T527 PolarHBondContact O-N 3.3Å; R523-T527 PolarHBondContact O-OG1 3.2Å; V524-T527 PolarHBondContact O-N 3.48Å; D525-T527 VanDerWaalsContact C-N 3.28Å; D525-T527 PolarHBondContact O-N 3.12Å; T527-L529 VanDerWaalsContact C-N 3.3Å; T527-L529 PolarHBondContact O-N 2.84Å; T527-R530 WeakPolarHBondContact O-CB 3.34Å; T527-R530 PolarHBondContact O-N 3.05Å; T527-R530 VanDerWaalsContact O-N 3.13Å; T527-E531 WeakPolarHBondContact O-CG 3.46Å; T527-E531 PolarHBondContact O-N 2.78Å |
| 528 | R | 98.2 | Very high | 96.6 | Very high | 147 Ų | 147 | 110 Ų | 110 | 56% | 0.555 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -55.4 | -42.2 | 174.5 | -179.4 | 177.3 | 69.7 | 95.6 | -5.5 | 112.5 | V524 D525 T532 | V524-R528 WeakPolarHBondContact O-CB 3.39Å; V524-R528 PolarHBondContact O-N 3.42Å; D525-R528 PolarHBondContact O-N 3.02Å; D525-R528 IonicContact OD1-CZ 3.47Å; D525-R528 VanDerWaalsContact OD1-CZ 3.27Å; D525-R528 IonicContact OD1-NE 2.72Å; D525-R528 PolarHBondContact OD1-NE 3.37Å; D525-R528 IonicContact OD1-NH2 2.69Å; D525-R528 PolarHBondContact OD1-NH2 2.76Å; R528-T532 WeakPolarHBondContact O-CB 3.25Å; R528-T532 PolarHBondContact O-N 2.84Å; R528-T532 PolarHBondContact O-OG1 3.08Å |
| 529 | L | 96.9 | Very high | 96.4 | Very high | 104 Ų | 104 | 107.6 Ų | 107.6 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.1 | -41.8 | 177.4 | -175.8 | 60.4 | 0 | 0 | 0 | 111.5 | D525 T527 T532 M533 | D525-L529 VanDerWaalsContact O-CB 3.27Å; D525-L529 WeakPolarHBondContact O-CB 3.32Å; D525-L529 PolarHBondContact O-N 3.22Å; T527-L529 VanDerWaalsContact C-N 3.3Å; T527-L529 PolarHBondContact O-N 2.84Å; L529-T532 PolarHBondContact O-N 3.02Å; L529-M533 HydrophobicContact CD1-CG 4.48Å; L529-M533 WeakPolarHBondContact O-CB 3.45Å; L529-M533 WeakPolarHBondContact O-CG 3.4Å; L529-M533 PolarHBondContact O-N 3.5Å |
| 530 | R | 95.4 | Very high | 96.1 | Very high | 182 Ų | 182 | 106.7 Ų | 106.7 | 69% | 0.687 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.9 | -43.8 | 174.4 | -76.3 | 169.3 | 179 | -160 | 0.1 | 112.2 | V526 T527 T532 M533 Q534 | V526-R530 WeakPolarHBondContact O-CB 3.46Å; V526-R530 WeakPolarHBondContact O-CD 3.49Å; V526-R530 WeakPolarHBondContact O-CG 3.31Å; V526-R530 PolarHBondContact O-N 2.78Å; T527-R530 WeakPolarHBondContact O-CB 3.34Å; T527-R530 PolarHBondContact O-N 3.05Å; T527-R530 VanDerWaalsContact O-N 3.13Å; R530-T532 VanDerWaalsContact C-N 3.35Å; R530-M533 PolarHBondContact O-N 2.95Å; R530-Q534 VanDerWaalsContact O-CB 3.25Å; R530-Q534 WeakPolarHBondContact O-CB 3.26Å; R530-Q534 PolarHBondContact O-N 2.95Å |
| 531 | E | 96.5 | Very high | 95.7 | Very high | 130 Ų | 130 | 105.8 Ų | 105.8 | 61% | 0.607 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.1 | -42.1 | 174.3 | -71.8 | 171.5 | -178.8 | 0 | 0 | 111.8 | T527 Q534 K535 | T527-E531 WeakPolarHBondContact O-CG 3.46Å; T527-E531 PolarHBondContact O-N 2.78Å; E531-Q534 PolarHBondContact O-N 3.04Å; E531-K535 WeakPolarHBondContact O-CB 3.38Å; E531-K535 PolarHBondContact O-N 2.87Å |
| 532 | T | 95.5 | Very high | 95.2 | Very high | 62 Ų | 62 | 106.4 Ų | 106.4 | 38% | 0.38 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.1 | -49 | 176.6 | -58.8 | 0 | 0 | 0 | 0 | 111 | R528 L529 R530 Q534 K535 H536 | R528-T532 WeakPolarHBondContact O-CB 3.25Å; R528-T532 PolarHBondContact O-N 2.84Å; R528-T532 PolarHBondContact O-OG1 3.08Å; L529-T532 PolarHBondContact O-N 3.02Å; R530-T532 VanDerWaalsContact C-N 3.35Å; T532-Q534 VanDerWaalsContact C-N 3.32Å; T532-Q534 PolarHBondContact O-N 2.8Å; T532-K535 PolarHBondContact O-N 2.76Å; T532-H536 PolarHBondContact O-CD2 3.05Å; T532-H536 VanDerWaalsContact O-CD2 3.24Å; T532-H536 PolarHBondContact O-N 3.32Å |
| 533 | M | 93 | Very high | 94.4 | Very high | 85 Ų | 85 | 106.5 Ų | 106.5 | 42% | 0.419 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.2 | -40.6 | 174.7 | -71.3 | -174.7 | 76.1 | 0 | 0 | 112.1 | L529 R530 H536 R537 F543 | L529-M533 HydrophobicContact CD1-CG 4.48Å; L529-M533 WeakPolarHBondContact O-CB 3.45Å; L529-M533 WeakPolarHBondContact O-CG 3.4Å; L529-M533 PolarHBondContact O-N 3.5Å; R530-M533 PolarHBondContact O-N 2.95Å; M533-H536 PolarHBondContact O-N 3.46Å; M533-R537 WeakPolarHBondContact O-CB 3.49Å; M533-R537 PolarHBondContact O-N 3.41Å; M533-F543 HydrophobicContact CB-CE2 4.34Å; M533-F543 HydrophobicContact CB-CZ 4.44Å; M533-F543 HydrophobicContact CE-CD1 4.4Å; M533-F543 HydrophobicContact CE-CD2 4.22Å; M533-F543 HydrophobicContact CE-CE1 4.49Å; M533-F543 HydrophobicContact CE-CE2 4.31Å; M533-F543 HydrophobicContact CE-CG 4.27Å; M533-F543 HydrophobicContact CE-CZ 4.44Å; M533-F543 HydrophobicContact CG-CZ 4.35Å |
| 534 | Q | 92.9 | Very high | 93.4 | Very high | 75 Ų | 75 | 105 Ų | 105 | 35% | 0.35 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.8 | -43 | 176.1 | -179.9 | 64 | 24.2 | 0 | 0 | 111.6 | R530 E531 T532 R537 M538 | R530-Q534 VanDerWaalsContact O-CB 3.25Å; R530-Q534 WeakPolarHBondContact O-CB 3.26Å; R530-Q534 PolarHBondContact O-N 2.95Å; E531-Q534 PolarHBondContact O-N 3.04Å; T532-Q534 VanDerWaalsContact C-N 3.32Å; T532-Q534 PolarHBondContact O-N 2.8Å; Q534-R537 PolarHBondContact O-N 2.83Å; Q534-M538 WeakPolarHBondContact O-CG 3.45Å; Q534-M538 PolarHBondContact O-N 2.84Å |
| 535 | K | 95.6 | Very high | 92.1 | Very high | 140 Ų | 140 | 105 Ų | 105 | 61% | 0.609 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.9 | -43.7 | 174.7 | -175.2 | 178.8 | -179.5 | 179.5 | 0 | 111.7 | E531 T532 R537 M538 N539 | E531-K535 WeakPolarHBondContact O-CB 3.38Å; E531-K535 PolarHBondContact O-N 2.87Å; T532-K535 PolarHBondContact O-N 2.76Å; K535-R537 VanDerWaalsContact C-N 3.35Å; K535-R537 PolarHBondContact O-N 3.29Å; K535-M538 PolarHBondContact O-N 3.38Å; K535-N539 WeakPolarHBondContact O-CB 3.34Å; K535-N539 VanDerWaalsContact O-CG 3.25Å; K535-N539 PolarHBondContact O-N 2.71Å; K535-N539 PolarHBondContact O-OD1 2.95Å |
| 536 | H | 94.5 | Very high | 90.4 | Very high | 86 Ų | 86 | 109.3 Ų | 109.3 | 40% | 0.398 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 173.1 | -85.4 | -76.2 | 0 | 0 | 0 | 112.1 | T532 M533 M538 N539 G540 C541 F543 | T532-H536 PolarHBondContact O-CD2 3.05Å; T532-H536 VanDerWaalsContact O-CD2 3.24Å; T532-H536 PolarHBondContact O-N 3.32Å; M533-H536 PolarHBondContact O-N 3.46Å; H536-M538 VanDerWaalsContact C-N 3.35Å; H536-M538 PolarHBondContact O-N 3.37Å; H536-N539 CarbonylContact O-C 3.47Å; H536-N539 PolarHBondContact O-N 3.41Å; H536-N539 VanDerWaalsContact O-N 3.12Å; H536-G540 PolarHBondContact O-N 3.17Å; H536-C541 HydrophobicContact CB-CB 3.91Å; H536-C541 PolarHBondContact ND1-SG 3.12Å; H536-C541 VanDerWaalsContact O-CB 3.28Å; H536-C541 WeakPolarHBondContact O-CB 3.34Å; H536-C541 PolarHBondContact O-N 2.77Å; H536-F543 HydrophobicContact CB-CE2 4Å; H536-F543 HydrophobicContact CB-CZ 3.65Å |
| 537 | R | 93.6 | Very high | 88.6 | Confident | 161 Ų | 161 | 111.5 Ų | 111.5 | 61% | 0.608 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.4 | -39.7 | 175.6 | -164 | 176.9 | 81.3 | -159.8 | 7.9 | 112.3 | M533 Q534 K535 N539 G540 | M533-R537 WeakPolarHBondContact O-CB 3.49Å; M533-R537 PolarHBondContact O-N 3.41Å; Q534-R537 PolarHBondContact O-N 2.83Å; K535-R537 VanDerWaalsContact C-N 3.35Å; K535-R537 PolarHBondContact O-N 3.29Å; R537-N539 VanDerWaalsContact C-N 3.3Å; R537-G540 PolarHBondContact O-N 2.94Å |
| 538 | M | 93.2 | Very high | 86.9 | Confident | 146 Ų | 146 | 113.4 Ų | 113.4 | 72% | 0.719 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.2 | -30.2 | 173.9 | -72 | 177.7 | 63.8 | 0 | 0 | 112.9 | Q534 K535 H536 G540 | Q534-M538 WeakPolarHBondContact O-CG 3.45Å; Q534-M538 PolarHBondContact O-N 2.84Å; K535-M538 PolarHBondContact O-N 3.38Å; H536-M538 VanDerWaalsContact C-N 3.35Å; H536-M538 PolarHBondContact O-N 3.37Å; M538-G540 VanDerWaalsContact C-N 3.25Å; M538-G540 PolarHBondContact O-N 3.36Å |
| 539 | N | 95.2 | Very high | 85.1 | Confident | 118 Ų | 118 | 114.1 Ų | 114.1 | 63% | 0.631 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | 7.9 | 175.7 | -67.3 | -2.2 | 0 | 0 | 0 | 113.6 | K535 H536 R537 | K535-N539 WeakPolarHBondContact O-CB 3.34Å; K535-N539 VanDerWaalsContact O-CG 3.25Å; K535-N539 PolarHBondContact O-N 2.71Å; K535-N539 PolarHBondContact O-OD1 2.95Å; H536-N539 CarbonylContact O-C 3.47Å; H536-N539 PolarHBondContact O-N 3.41Å; H536-N539 VanDerWaalsContact O-N 3.12Å; R537-N539 VanDerWaalsContact C-N 3.3Å |
| 540 | G | 91.1 | Very high | 83.2 | Confident | 61 Ų | 61 | 112.7 Ų | 112.7 | 63% | 0.629 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84.5 | 10.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | H536 R537 M538 V542 | H536-G540 PolarHBondContact O-N 3.17Å; R537-G540 PolarHBondContact O-N 2.94Å; M538-G540 VanDerWaalsContact C-N 3.25Å; M538-G540 PolarHBondContact O-N 3.36Å; G540-V542 PolarHBondContact O-N 3.29Å |
| 541 | C | 91.3 | Very high | 81.5 | Confident | 50 Ų | 50 | 111 Ų | 111 | 34% | 0.338 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -70.9 | 124 | 171.1 | -56.3 | 0 | 0 | 0 | 0 | 110.3 | H536 | H536-C541 HydrophobicContact CB-CB 3.91Å; H536-C541 PolarHBondContact ND1-SG 3.12Å; H536-C541 VanDerWaalsContact O-CB 3.28Å; H536-C541 WeakPolarHBondContact O-CB 3.34Å; H536-C541 PolarHBondContact O-N 2.77Å |
| 542 | V | 86.6 | Confident | 79.7 | Confident | 131 Ų | 131 | 107.9 Ų | 107.9 | 79% | 0.794 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 130 | 170.1 | -72.5 | 0 | 0 | 0 | 0 | 110 | G540 | G540-V542 PolarHBondContact O-N 3.29Š|
| 543 | F | 81.8 | Confident | 78 | Confident | 96 Ų | 96 | 108.9 Ų | 108.9 | 42% | 0.421 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -103.3 | 126.7 | 173.7 | -63.4 | -75.4 | 0 | 0 | 0 | 108.8 | M533 H536 D545 | M533-F543 HydrophobicContact CB-CE2 4.34Å; M533-F543 HydrophobicContact CB-CZ 4.44Å; M533-F543 HydrophobicContact CE-CD1 4.4Å; M533-F543 HydrophobicContact CE-CD2 4.22Å; M533-F543 HydrophobicContact CE-CE1 4.49Å; M533-F543 HydrophobicContact CE-CE2 4.31Å; M533-F543 HydrophobicContact CE-CG 4.27Å; M533-F543 HydrophobicContact CE-CZ 4.44Å; M533-F543 HydrophobicContact CG-CZ 4.35Å; H536-F543 HydrophobicContact CB-CE2 4Å; H536-F543 HydrophobicContact CB-CZ 3.65Å; F543-D545 PolarHBondContact O-N 2.93Å; F543-D545 VanDerWaalsContact O-N 3.15Å |
| 544 | N | 78.3 | Confident | 76.5 | Confident | 123 Ų | 123 | 112.8 Ų | 112.8 | 66% | 0.658 | 59% | 0.593 | S | S | * | * | | | trans | -78.9 | 97 | 175.4 | -67 | -16.4 | 0 | 0 | 0 | 109.1 | E546 I547 | N544-E546 PolarHBondContact O-N 3.22Å; N544-I547 PolarHBondContact O-N 2.91Å |
| 545 | D | 70 | Confident | 75 | Confident | 98 Ų | 98 | 117 Ų | 117 | 52% | 0.524 | 61% | 0.612 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.8 | -6.8 | -178.4 | -75 | -18 | 0 | 0 | 0 | 114.8 | F543 R549 | F543-D545 PolarHBondContact O-N 2.93Å; F543-D545 VanDerWaalsContact O-N 3.15Å; D545-R549 VanDerWaalsContact CB-NH1 3.31Å; D545-R549 PolarHBondContact O-NH1 2.98Å; D545-R549 VanDerWaalsContact O-NH1 3.13Å |
| 546 | E | 62.2 | Low | 73.2 | Confident | 160 Ų | 160 | 118 Ų | 118 | 75% | 0.748 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.5 | -31.7 | 178.1 | -61.2 | -165.1 | 144.9 | 0 | 0 | 112.9 | N544 V548 R549 S550 | N544-E546 PolarHBondContact O-N 3.22Å; E546-V548 PolarHBondContact O-N 2.85Å; E546-R549 PolarHBondContact O-N 3.39Å; E546-S550 PolarHBondContact O-N 2.88Å |
| 547 | I | 61.5 | Low | 71.4 | Confident | 115 Ų | 115 | 116.9 Ų | 116.9 | 59% | 0.59 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -63.7 | -46.6 | -178.7 | -59.2 | 177.7 | 0 | 0 | 0 | 110.2 | N544 R549 S550 | N544-I547 PolarHBondContact O-N 2.91Å; I547-R549 VanDerWaalsContact C-N 3.31Å; I547-R549 PolarHBondContact O-N 3.5Å; I547-S550 PolarHBondContact O-N 3.31Å; I547-S550 VanDerWaalsContact O-N 3.16Å; I547-S550 PolarHBondContact O-OG 2.91Å |
| 548 | V | 61.7 | Low | 69.6 | Low | 111 Ų | 111 | 117.1 Ų | 117.1 | 67% | 0.673 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -66.1 | -30.6 | -176.7 | -177.6 | 0 | 0 | 0 | 0 | 112.7 | E546 | E546-V548 PolarHBondContact O-N 2.85Å |
| 549 | R | 59.4 | Low | 67.6 | Low | 163 Ų | 163 | 114 Ų | 114 | 62% | 0.615 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -78.1 | -24.4 | 176.9 | -64.3 | -170.9 | -172.3 | 88.8 | 1.6 | 113.1 | D545 E546 I547 | D545-R549 VanDerWaalsContact CB-NH1 3.31Å; D545-R549 PolarHBondContact O-NH1 2.98Å; D545-R549 VanDerWaalsContact O-NH1 3.13Å; E546-R549 PolarHBondContact O-N 3.39Å; I547-R549 VanDerWaalsContact C-N 3.31Å; I547-R549 PolarHBondContact O-N 3.5Å |
| 550 | S | 58.4 | Low | 64.9 | Low | 74 Ų | 74 | 118.5 Ų | 118.5 | 52% | 0.517 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -73.4 | -24.3 | -176.4 | 74.3 | 0 | 0 | 0 | 0 | 114.4 | E546 I547 | E546-S550 PolarHBondContact O-N 2.88Å; I547-S550 PolarHBondContact O-N 3.31Å; I547-S550 VanDerWaalsContact O-N 3.16Å; I547-S550 PolarHBondContact O-OG 2.91Å |
| 551 | E | 59.6 | Low | 63.6 | Low | 147 Ų | 147 | 121.4 Ų | 121.4 | 69% | 0.687 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -88.2 | -39.2 | 173.4 | -73 | -175.9 | 127.2 | 0 | 0 | 112.6 | A553 K554 | E551-A553 PolarHBondContact O-N 3.47Å; E551-A553 VanDerWaalsContact O-N 3.17Å; E551-K554 PolarHBondContact O-N 3.36Å; E551-K554 VanDerWaalsContact O-N 3.14Å |
| 552 | A | 58.9 | Low | 62.1 | Low | 63 Ų | 63 | 125.2 Ų | 125.2 | 52% | 0.521 | 71% | 0.714 | S | S | . | * | H | α-helix | trans | -58.8 | -31.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | K554 | A552-K554 PolarHBondContact O-N 2.84Å |
| 553 | A | 59 | Low | 60.7 | Low | 84 Ų | 84 | 124.8 Ų | 124.8 | 69% | 0.694 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 1.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | E551 | E551-A553 PolarHBondContact O-N 3.47Å; E551-A553 VanDerWaalsContact O-N 3.17Å |
| 554 | K | 61.4 | Low | 59.5 | Low | 167 Ų | 167 | 126.5 Ų | 126.5 | 73% | 0.726 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | -19.1 | -178.8 | -84.3 | 179.3 | 176.3 | 170.8 | 0 | 115.6 | E551 A552 | E551-K554 PolarHBondContact O-N 3.36Å; E551-K554 VanDerWaalsContact O-N 3.14Å; A552-K554 PolarHBondContact O-N 2.84Å |
| 555 | E | 61.2 | Low | 58.3 | Low | 163 Ų | 163 | 126.8 Ų | 126.8 | 76% | 0.762 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -25.7 | -173.5 | -69.8 | -76.5 | 115.1 | 0 | 0 | 113.3 | G557 | E555-G557 PolarHBondContact O-N 2.86Š|
| 556 | D | 58.6 | Low | 57.6 | Low | 161 Ų | 161 | 128.7 Ų | 128.7 | 86% | 0.861 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 11.8 | -177.5 | -67.5 | -28.6 | 0 | 0 | 0 | 114.7 | | |
| 557 | G | 55.6 | Low | 57.2 | Low | 62 Ų | 62 | 126.4 Ų | 126.4 | 64% | 0.639 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.9 | -8.9 | -169.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | E555 | E555-G557 PolarHBondContact O-N 2.86Š|
| 558 | L | 57.7 | Low | 56.9 | Low | 166 Ų | 166 | 127.3 Ų | 127.3 | 87% | 0.869 | 76% | 0.757 | S | S | * | * | | | trans | -140.6 | 103.2 | -177.1 | -76.5 | 104.7 | 0 | 0 | 0 | 113.3 | | |
| 559 | G | 49.2 | Very low | 56.5 | Low | 80 Ų | 80 | 128.7 Ų | 128.7 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | | | trans | 171.8 | 106.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 560 | C | 39 | Very low | 56.2 | Low | 214 Ų | 214 | 125.5 Ų | 125.5 | 100% | 1.446 | 78% | 0.777 | S | S | * | * | | | trans | -78.1 | 0 | 179.2 | -59.5 | 0 | 0 | 0 | 0 | 113.7 | | |