| 1 | M | 43.5 | Very low | 46.1 | Very low | 246 Ų | 246 | 129.2 Ų | 129.2 | 100% | 1.212 | 85% | 0.853 | S | S | * | * | | | | 0 | 125.5 | 0 | -68.9 | 171.6 | 71 | 0 | 0 | 106.5 | | |
| 2 | S | 49.7 | Very low | 45.8 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 80% | 0.804 | 85% | 0.854 | S | S | * | * | | | trans | -96.4 | 137.9 | -154.2 | -67.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 3 | C | 40.2 | Very low | 45.5 | Very low | 127 Ų | 127 | 127.6 Ų | 127.6 | 86% | 0.858 | 86% | 0.855 | S | S | * | * | | | trans | 37.2 | 138.1 | 153.6 | 16.1 | 0 | 0 | 0 | 0 | 123.8 | | |
| 4 | A | 47.3 | Very low | 44.9 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 88% | 0.884 | 86% | 0.857 | S | S | * | * | | | trans | -70.7 | 167.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 5 | G | 40.7 | Very low | 44.9 | Very low | 75 Ų | 75 | 135.8 Ų | 135.8 | 77% | 0.773 | 86% | 0.859 | S | S | * | * | | | trans | 152.4 | 93.7 | 160.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 6 | E | 52.1 | Low | 44.6 | Very low | 200 Ų | 200 | 139.1 Ų | 139.1 | 94% | 0.935 | 86% | 0.86 | S | S | * | * | | | trans | -61.2 | 138.6 | 161 | 179 | -178.7 | 113.6 | 0 | 0 | 110.8 | | |
| 7 | A | 43.3 | Very low | 44.2 | Very low | 101 Ų | 101 | 137.9 Ų | 137.9 | 84% | 0.835 | 86% | 0.856 | S | S | * | * | | | trans | -162.4 | 139.5 | 157.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 8 | L | 47.8 | Very low | 43.9 | Very low | 174 Ų | 174 | 137.2 Ų | 137.2 | 91% | 0.911 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 162.7 | -172.3 | -137.9 | 78.1 | 0 | 0 | 0 | 115.2 | | |
| 9 | A | 47.8 | Very low | 43.9 | Very low | 86 Ų | 86 | 137.3 Ų | 137.3 | 71% | 0.711 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 144.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | G11 | A9-G11 PolarHBondContact O-N 3.04Š|
| 10 | P | 50.5 | Low | 44 | Very low | 131 Ų | 131 | 139.5 Ų | 139.5 | 85% | 0.851 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 117.9 | 173.3 | 28.1 | -31.4 | 0 | 0 | 0 | 110.5 | | |
| 11 | G | 44.3 | Very low | 44.1 | Very low | 59 Ų | 59 | 137.5 Ų | 137.5 | 61% | 0.608 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -69 | 165.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A9 | A9-G11 PolarHBondContact O-N 3.04Š|
| 12 | P | 43 | Very low | 44.1 | Very low | 133 Ų | 133 | 129.2 Ų | 129.2 | 86% | 0.864 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -67 | 134 | -174.7 | 27.6 | -32.8 | 0 | 0 | 0 | 111.4 | E14 | P12-E14 PolarHBondContact O-N 3.04Š|
| 13 | A | 41.6 | Very low | 43.8 | Very low | 105 Ų | 105 | 127.6 Ų | 127.6 | 87% | 0.868 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 129.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 14 | E | 36.8 | Very low | 44.1 | Very low | 188 Ų | 188 | 125.1 Ų | 125.1 | 88% | 0.879 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 147.1 | 174.3 | -65.3 | -174.5 | 146.9 | 0 | 0 | 112 | P12 Q16 | P12-E14 PolarHBondContact O-N 3.04Å; E14-Q16 PolarHBondContact O-N 3.3Å |
| 15 | Q | 45.6 | Very low | 44.4 | Very low | 190 Ų | 190 | 131.8 Ų | 131.8 | 89% | 0.888 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 116.5 | -179.6 | -156.9 | 164.8 | 42.9 | 0 | 0 | 110.2 | | |
| 16 | Q | 39.3 | Very low | 44.9 | Very low | 189 Ų | 189 | 136 Ų | 136 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 117.4 | 170.7 | -72 | -166.5 | -15.2 | 0 | 0 | 110.3 | E14 | E14-Q16 PolarHBondContact O-N 3.3Š|
| 17 | C | 37.5 | Very low | 44.4 | Very low | 118 Ų | 118 | 130.2 Ų | 130.2 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 138 | 166.8 | -59.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 18 | P | 39.3 | Very low | 44.7 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 130.8 | 160.6 | 29.9 | -27.7 | 0 | 0 | 0 | 110.3 | | |
| 19 | V | 44.1 | Very low | 44.7 | Very low | 138 Ų | 138 | 128 Ų | 128 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 126.9 | 173 | 55.9 | 0 | 0 | 0 | 0 | 110.7 | A21 | V19-A21 PolarHBondContact O-N 3.29Š|
| 20 | E | 46.3 | Very low | 44.5 | Very low | 182 Ų | 182 | 128.3 Ų | 128.3 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 125.2 | 171.4 | -87.1 | -79 | 115.4 | 0 | 0 | 111.1 | | |
| 21 | A | 45.3 | Very low | 44.3 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | | | trans | -124.8 | 95.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | V19 | V19-A21 PolarHBondContact O-N 3.29Š|
| 22 | G | 43 | Very low | 44 | Very low | 73 Ų | 73 | 135.3 Ų | 135.3 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | | | trans | 56.8 | 99.7 | 140.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 23 | G | 44.2 | Very low | 44.4 | Very low | 81 Ų | 81 | 132.9 Ų | 132.9 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | | | | 70.6 | 91.4 | 112.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 24 | G | 47.3 | Very low | 44.1 | Very low | 75 Ų | 75 | 133.4 Ų | 133.4 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | | | | 71.4 | 103.9 | 123 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 25 | R | 51.9 | Low | 44.9 | Very low | 246 Ų | 246 | 132 Ų | 132 | 93% | 0.928 | 81% | 0.81 | S | S | * | * | | | | 176.1 | 116.9 | 112.4 | -103.2 | -177.1 | 171.6 | -88.8 | 2.2 | 109.5 | G27 | R25-G27 PolarHBondContact O-N 3.16Š|
| 26 | L | 52.3 | Low | 45 | Very low | 163 Ų | 163 | 130.9 Ų | 130.9 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | | | trans | -63.7 | 114.2 | 160.9 | -69 | 162.8 | 0 | 0 | 0 | 107.6 | S28 | L26-S28 PolarHBondContact O-N 3.01Š|
| 27 | G | 42.5 | Very low | 45.4 | Very low | 79 Ų | 79 | 127.3 Ų | 127.3 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | | | trans | -81.1 | 89.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | R25 | R25-G27 PolarHBondContact O-N 3.16Š|
| 28 | S | 48.8 | Very low | 46.1 | Very low | 100 Ų | 100 | 127.9 Ų | 127.9 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 137.5 | 161 | -53.3 | 0 | 0 | 0 | 0 | 109.2 | L26 A30 | L26-S28 PolarHBondContact O-N 3.01Å; S28-A30 PolarHBondContact O-N 3Å |
| 29 | P | 48.3 | Very low | 46.4 | Very low | 130 Ų | 130 | 127.2 Ų | 127.2 | 84% | 0.844 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 120.8 | 154 | 23.3 | -19.3 | 0 | 0 | 0 | 108.5 | | |
| 30 | A | 42.4 | Very low | 46.6 | Very low | 91 Ų | 91 | 127.1 Ų | 127.1 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 129.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | S28 | S28-A30 PolarHBondContact O-N 3Š|
| 31 | H | 47 | Very low | 46.9 | Very low | 153 Ų | 153 | 126.8 Ų | 126.8 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | | | | 49.1 | 107.3 | 101.9 | -171.1 | -84.8 | 0 | 0 | 0 | 113.5 | | |
| 32 | E | 37.7 | Very low | 46.9 | Very low | 184 Ų | 184 | 128.2 Ų | 128.2 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | | | | -157.6 | 115.1 | 122.1 | -107.5 | 169 | -165 | 0 | 0 | 110.2 | | |
| 33 | A | 51.2 | Low | 47 | Very low | 83 Ų | 83 | 133.1 Ų | 133.1 | 69% | 0.686 | 76% | 0.762 | S | S | * | * | | | trans | -74.2 | 126.1 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 34 | C | 36.5 | Very low | 47.3 | Very low | 115 Ų | 115 | 140.8 Ų | 140.8 | 78% | 0.777 | 77% | 0.765 | S | S | * | * | | | trans | -133.8 | 106 | 147.9 | -99.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 35 | N | 53 | Low | 47.4 | Very low | 158 Ų | 158 | 143 Ų | 143 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | | | trans | -70.2 | 111.6 | 155 | 167.4 | 48.1 | 0 | 0 | 0 | 106.9 | | |
| 36 | E | 48 | Very low | 47.2 | Very low | 168 Ų | 168 | 135.6 Ų | 135.6 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | trans | -152.3 | 107.3 | 165.4 | -140.3 | 141.5 | -177.8 | 0 | 0 | 112.3 | | |
| 37 | D | 46.9 | Very low | 46.9 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 60% | 0.604 | 76% | 0.756 | S | S | * | * | | | trans | 33.3 | 129 | 138.3 | -144 | -98.9 | 0 | 0 | 0 | 121.6 | | |
| 38 | N | 53.2 | Low | 47.6 | Very low | 130 Ų | 130 | 136.3 Ų | 136.3 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | | | trans | -52.9 | 110.1 | 158.5 | 44.4 | -81.8 | 0 | 0 | 0 | 115.3 | | |
| 39 | T | 44.3 | Very low | 47.9 | Very low | 113 Ų | 113 | 134.7 Ų | 134.7 | 69% | 0.693 | 76% | 0.757 | S | S | * | * | | | trans | -164 | 110.2 | 155 | 5.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 40 | E | 49.6 | Very low | 48.1 | Very low | 135 Ų | 135 | 137.7 Ų | 137.7 | 63% | 0.631 | 76% | 0.759 | S | S | * | * | | | | 84.5 | 112.9 | 102.4 | -173.4 | 178.2 | 177.4 | 0 | 0 | 115.4 | | |
| 41 | K | 51.3 | Low | 48.6 | Very low | 176 Ų | 176 | 139.1 Ų | 139.1 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | | | trans | 71 | 139.2 | 158.6 | -64.7 | 169.5 | -177.1 | 166.9 | 0 | 115.4 | | |
| 42 | D | 44.9 | Very low | 49.1 | Very low | 126 Ų | 126 | 142.7 Ų | 142.7 | 67% | 0.674 | 77% | 0.766 | S | S | * | * | | | cis | 180 | 151.3 | 41.6 | -155.4 | 0.2 | 0 | 0 | 0 | 111 | | |
| 43 | K | 46.6 | Very low | 49.6 | Very low | 177 Ų | 177 | 139.3 Ų | 139.3 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | | | trans | 64.4 | 114 | 158.4 | -38.7 | -157.7 | -172.5 | -154.2 | 0 | 123.3 | | |
| 44 | R | 50.7 | Low | 49.7 | Very low | 242 Ų | 242 | 138.1 Ų | 138.1 | 91% | 0.913 | 76% | 0.758 | S | S | * | * | | | trans | -74.6 | 161.4 | 157.4 | -67 | -173.9 | 173.8 | -176.9 | -0.1 | 110.8 | | |
| 45 | P | 48.3 | Very low | 50.4 | Low | 120 Ų | 120 | 138.8 Ų | 138.8 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | | | | -146.6 | 156.7 | 62 | 36.7 | -14.8 | 0 | 0 | 0 | 119 | | |
| 46 | A | 48.1 | Very low | 50.6 | Low | 91 Ų | 91 | 139.5 Ų | 139.5 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | | | trans | 39.7 | 126.1 | 150.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 47 | T | 46.3 | Very low | 50.9 | Low | 134 Ų | 134 | 140.3 Ų | 140.3 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | | | | -158.2 | 115.9 | 84.8 | -64.9 | 0 | 0 | 0 | 0 | 111.6 | G49 | T47-G49 PolarHBondContact O-N 3.02Š|
| 48 | S | 56.5 | Low | 51.3 | Low | 123 Ų | 123 | 142.1 Ų | 142.1 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | | | trans | 10.3 | 104.5 | 140.8 | 172.7 | 0 | 0 | 0 | 0 | 117.5 | | |
| 49 | G | 55 | Low | 51.4 | Low | 66 Ų | 66 | 143.1 Ų | 143.1 | 68% | 0.68 | 76% | 0.759 | S | S | * | * | | | trans | -155.1 | 21.1 | 161.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | T47 T51 | T47-G49 PolarHBondContact O-N 3.02Å; G49-T51 VanDerWaalsContact C-N 3.29Å; G49-T51 PolarHBondContact O-N 2.79Å; G49-T51 VanDerWaalsContact O-N 3.09Å |
| 50 | H | 52.8 | Low | 51.9 | Low | 193 Ų | 193 | 141.6 Ų | 141.6 | 89% | 0.894 | 75% | 0.753 | S | S | * | * | | | trans | -80.9 | 84.3 | 168.7 | -116.4 | 74 | 0 | 0 | 0 | 107.3 | R52 | H50-R52 PolarHBondContact O-N 3.48Š|
| 51 | T | 53.3 | Low | 52.5 | Low | 121 Ų | 121 | 142.8 Ų | 142.8 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | | | trans | -63.7 | 95.6 | 159.3 | 47.2 | 0 | 0 | 0 | 0 | 106.5 | G49 C53 | G49-T51 VanDerWaalsContact C-N 3.29Å; G49-T51 PolarHBondContact O-N 2.79Å; G49-T51 VanDerWaalsContact O-N 3.09Å; T51-C53 PolarHBondContact O-N 3.41Å |
| 52 | R | 57.8 | Low | 52.9 | Low | 229 Ų | 229 | 144.4 Ų | 144.4 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | | | trans | -53.8 | 85.4 | 152.8 | 178.2 | -179.7 | -67.8 | 172.9 | -0.7 | 105.9 | H50 G54 | H50-R52 PolarHBondContact O-N 3.48Å; R52-G54 VanDerWaalsContact C-N 3.32Å; R52-G54 PolarHBondContact O-N 2.93Å |
| 53 | C | 48.5 | Very low | 53.8 | Low | 112 Ų | 112 | 143.7 Ų | 143.7 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | | | trans | -55.7 | 108.7 | 160.9 | -78.5 | 0 | 0 | 0 | 0 | 104.5 | T51 L55 | T51-C53 PolarHBondContact O-N 3.41Å; C53-L55 PolarHBondContact O-N 3.07Å |
| 54 | G | 52.3 | Low | 54.6 | Low | 59 Ų | 59 | 142.6 Ų | 142.6 | 61% | 0.608 | 77% | 0.768 | S | S | * | * | | | trans | -52.1 | 105.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | R52 M56 | R52-G54 VanDerWaalsContact C-N 3.32Å; R52-G54 PolarHBondContact O-N 2.93Å; G54-M56 PolarHBondContact O-N 2.65Å |
| 55 | L | 51.3 | Low | 55.1 | Low | 128 Ų | 128 | 134.5 Ų | 134.5 | 67% | 0.67 | 75% | 0.747 | S | S | * | * | | | trans | -60.3 | 86.8 | 148.9 | -167.2 | 78.6 | 0 | 0 | 0 | 103.5 | C53 R57 | C53-L55 PolarHBondContact O-N 3.07Å; L55-R57 HydrophobicContact CD2-CG 3.8Å; L55-R57 HydrophobicContact CG-CG 4.14Å; L55-R57 PolarHBondContact O-N 2.85Å |
| 56 | M | 57.5 | Low | 56.2 | Low | 174 Ų | 174 | 133.6 Ų | 133.6 | 86% | 0.857 | 74% | 0.743 | S | S | * | * | | | trans | -59.9 | 88.7 | 156.3 | -63.3 | -149.3 | 75.5 | 0 | 0 | 103.2 | G54 D58 | G54-M56 PolarHBondContact O-N 2.65Å; M56-D58 PolarHBondContact O-N 2.7Å |
| 57 | R | 53.9 | Low | 56.9 | Low | 184 Ų | 184 | 134.8 Ų | 134.8 | 69% | 0.694 | 75% | 0.754 | S | S | * | * | | | trans | -59.4 | 88.9 | 155.3 | -68.8 | -176.6 | 173.4 | 90.3 | -1.8 | 102.7 | L55 Q59 | L55-R57 HydrophobicContact CD2-CG 3.8Å; L55-R57 HydrophobicContact CG-CG 4.14Å; L55-R57 PolarHBondContact O-N 2.85Å; R57-Q59 HydrophobicContact CB-CG 3.81Å; R57-Q59 PolarHBondContact O-N 2.91Å |
| 58 | D | 55 | Low | 57.6 | Low | 151 Ų | 151 | 131.7 Ų | 131.7 | 81% | 0.807 | 75% | 0.748 | S | S | * | * | | | trans | -67 | 76.2 | 153.8 | -144 | 24.7 | 0 | 0 | 0 | 103.3 | M56 S60 | M56-D58 PolarHBondContact O-N 2.7Å; D58-S60 PolarHBondContact O-N 3.14Å |
| 59 | Q | 54.8 | Low | 57.9 | Low | 152 Ų | 152 | 133.1 Ų | 133.1 | 71% | 0.71 | 74% | 0.741 | S | S | * | * | | | trans | -64.7 | 87.7 | 161.5 | -64.6 | -146.6 | 99.4 | 0 | 0 | 102.1 | R57 I61 | R57-Q59 HydrophobicContact CB-CG 3.81Å; R57-Q59 PolarHBondContact O-N 2.91Å; Q59-I61 VanDerWaalsContact C-N 3.32Å; Q59-I61 WeakPolarHBondContact O-CG1 3.27Å; Q59-I61 PolarHBondContact O-N 3.2Å |
| 60 | S | 55.8 | Low | 58.7 | Low | 80 Ų | 80 | 137.8 Ų | 137.8 | 56% | 0.559 | 75% | 0.749 | S | S | * | * | | | trans | -51.1 | 110.7 | 165.6 | 59.2 | 0 | 0 | 0 | 0 | 104.6 | D58 W62 | D58-S60 PolarHBondContact O-N 3.14Å; S60-W62 PolarHBondContact O-N 3.23Å |
| 61 | I | 62.4 | Low | 59.2 | Low | 160 Ų | 160 | 133.5 Ų | 133.5 | 82% | 0.821 | 74% | 0.737 | S | S | * | * | | | trans | -70 | 64.3 | 177.6 | -56.2 | 155.6 | 0 | 0 | 0 | 106.1 | Q59 | Q59-I61 VanDerWaalsContact C-N 3.32Å; Q59-I61 WeakPolarHBondContact O-CG1 3.27Å; Q59-I61 PolarHBondContact O-N 3.2Å |
| 62 | W | 59.7 | Low | 59.9 | Low | 211 Ų | 211 | 139.2 Ų | 139.2 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | | | trans | -99.7 | 110.6 | 160.2 | -73.6 | 106.5 | 0 | 0 | 0 | 103.7 | S60 N64 | S60-W62 PolarHBondContact O-N 3.23Å; W62-N64 PolarHBondContact O-N 3.13Å |
| 63 | P | 63.8 | Low | 60.4 | Low | 110 Ų | 110 | 134.5 Ų | 134.5 | 71% | 0.714 | 74% | 0.741 | S | S | * | * | | | trans | -50.5 | 116 | 169.9 | -20.8 | 30.6 | 0 | 0 | 0 | 106.9 | P65 | P63-P65 VanDerWaalsContact O-CD 3.27Å; P63-P65 WeakPolarHBondContact O-CD 3.47Å; P63-P65 VanDerWaalsContact O-N 3.14Å |
| 64 | N | 63 | Low | 61.8 | Low | 154 Ų | 154 | 135.2 Ų | 135.2 | 82% | 0.824 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 119.4 | 167.2 | -82.4 | -28.4 | 0 | 0 | 0 | 105.8 | W62 S66 | W62-N64 PolarHBondContact O-N 3.13Å; N64-S66 PolarHBondContact O-N 2.96Å; N64-S66 VanDerWaalsContact O-N 3.07Å |
| 65 | P | 61.1 | Low | 62.8 | Low | 73 Ų | 73 | 137.6 Ų | 137.6 | 47% | 0.474 | 74% | 0.738 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 121.3 | 171.8 | 24.4 | -30.2 | 0 | 0 | 0 | 106.6 | P63 A67 E69 V71 | P63-P65 VanDerWaalsContact O-CD 3.27Å; P63-P65 WeakPolarHBondContact O-CD 3.47Å; P63-P65 VanDerWaalsContact O-N 3.14Å; P65-A67 PolarHBondContact O-N 3.03Å; P65-E69 HydrophobicContact CB-CB 4.41Å; P65-V71 HydrophobicContact CG-CG2 4.39Å |
| 66 | S | 71.5 | Confident | 64.2 | Low | 100 Ų | 100 | 140.3 Ų | 140.3 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 142 | 172 | 178.7 | 0 | 0 | 0 | 0 | 108.3 | N64 G68 E69 | N64-S66 PolarHBondContact O-N 2.96Å; N64-S66 VanDerWaalsContact O-N 3.07Å; S66-G68 PolarHBondContact O-N 3.08Å; S66-E69 PolarHBondContact O-N 3.17Å |
| 67 | A | 63.7 | Low | 65.2 | Low | 117 Ų | 117 | 141 Ų | 141 | 97% | 0.967 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | 10.5 | -164.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | P65 | P65-A67 PolarHBondContact O-N 3.03Š|
| 68 | G | 59.8 | Low | 66.5 | Low | 68 Ų | 68 | 139.5 Ų | 139.5 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.7 | -9.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | S66 L70 | S66-G68 PolarHBondContact O-N 3.08Å; G68-L70 PolarHBondContact O-N 2.72Å; G68-L70 VanDerWaalsContact O-N 3.16Å |
| 69 | E | 63.9 | Low | 67.6 | Low | 153 Ų | 153 | 137.9 Ų | 137.9 | 72% | 0.715 | 74% | 0.743 | S | S | * | * | | | trans | -86.3 | 86.2 | 170.2 | -89 | -164.6 | 134.1 | 0 | 0 | 109 | P65 S66 V71 | P65-E69 HydrophobicContact CB-CB 4.41Å; S66-E69 PolarHBondContact O-N 3.17Å; E69-V71 VanDerWaalsContact C-N 3.31Å; E69-V71 PolarHBondContact O-N 2.86Å |
| 70 | L | 71.6 | Confident | 68.4 | Low | 164 Ų | 164 | 139.6 Ų | 139.6 | 86% | 0.859 | 75% | 0.751 | S | S | * | * | | | trans | -52.9 | 104.4 | 160.3 | -69.9 | 170.3 | 0 | 0 | 0 | 106.8 | G68 R72 | G68-L70 PolarHBondContact O-N 2.72Å; G68-L70 VanDerWaalsContact O-N 3.16Å; L70-R72 PolarHBondContact O-N 2.9Å |
| 71 | V | 62.6 | Low | 68.9 | Low | 103 Ų | 103 | 143 Ų | 143 | 62% | 0.624 | 76% | 0.763 | S | S | * | * | | | trans | -46.1 | 113.1 | 176 | -144.3 | 0 | 0 | 0 | 0 | 105.8 | P65 E69 T73 | P65-V71 HydrophobicContact CG-CG2 4.39Å; E69-V71 VanDerWaalsContact C-N 3.31Å; E69-V71 PolarHBondContact O-N 2.86Å; V71-T73 HydrophobicContact CB-CG2 4.36Å; V71-T73 PolarHBondContact O-N 2.84Å |
| 72 | R | 67.9 | Low | 69.1 | Low | 241 Ų | 241 | 144.6 Ų | 144.6 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | | | trans | -64.8 | 85.5 | 173.7 | -91.8 | 179.8 | 152.2 | -176.3 | -4.7 | 106.4 | L70 Q74 | L70-R72 PolarHBondContact O-N 2.9Å; R72-Q74 PolarHBondContact O-N 2.84Å; R72-Q74 VanDerWaalsContact O-N 3.14Å |
| 73 | T | 67.6 | Low | 68.9 | Low | 130 Ų | 130 | 140.7 Ų | 140.7 | 80% | 0.798 | 77% | 0.766 | S | S | * | * | | | trans | -71.4 | 1.5 | 178 | 49.8 | 0 | 0 | 0 | 0 | 112.2 | V71 P75 | V71-T73 HydrophobicContact CB-CG2 4.36Å; V71-T73 PolarHBondContact O-N 2.84Å; T73-P75 WeakPolarHBondContact O-CD 3.18Å |
| 74 | Q | 77.6 | Confident | 68.2 | Low | 128 Ų | 128 | 140.5 Ų | 140.5 | 60% | 0.598 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -82.7 | 109.8 | 171.6 | -170.1 | 158.8 | 54.3 | 0 | 0 | 108.5 | R72 | R72-Q74 PolarHBondContact O-N 2.84Å; R72-Q74 VanDerWaalsContact O-N 3.14Å |
| 75 | P | 75.3 | Confident | 67.8 | Low | 109 Ų | 109 | 137.3 Ų | 137.3 | 71% | 0.708 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 144.7 | 172.8 | 24.1 | -32.8 | 0 | 0 | 0 | 109.1 | T73 R77 | T73-P75 WeakPolarHBondContact O-CD 3.18Å; P75-R77 PolarHBondContact O-N 2.97Å |
| 76 | E | 80.5 | Confident | 67.2 | Low | 184 Ų | 184 | 143.3 Ų | 143.3 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 126.5 | 177 | -169 | 172.2 | 170 | 0 | 0 | 109.2 | L78 | E76-L78 PolarHBondContact O-N 3.14Š|
| 77 | R | 76.9 | Confident | 66.1 | Low | 190 Ų | 190 | 146.2 Ų | 146.2 | 72% | 0.717 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 127.6 | 179.6 | -71.8 | -167.2 | 177.5 | 99.7 | 1.1 | 107.4 | P75 | P75-R77 PolarHBondContact O-N 2.97Š|
| 78 | L | 81.9 | Confident | 65.4 | Low | 151 Ų | 151 | 145.3 Ų | 145.3 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 144.5 | 178.9 | -67.6 | 170.5 | 0 | 0 | 0 | 110.4 | E76 Q80 | E76-L78 PolarHBondContact O-N 3.14Å; L78-Q80 PolarHBondContact O-N 2.79Å |
| 79 | P | 78.3 | Confident | 64.6 | Low | 117 Ų | 117 | 145.6 Ų | 145.6 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 118.5 | 171.6 | -23.7 | 32.1 | 0 | 0 | 0 | 108.7 | L81 | P79-L81 PolarHBondContact O-N 2.93Š|
| 80 | Q | 72.5 | Confident | 63.8 | Low | 188 Ų | 188 | 147.7 Ų | 147.7 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | | | trans | -60.9 | 113.9 | 173.7 | -76.2 | -173.4 | -45 | 0 | 0 | 106.9 | L78 Q82 | L78-Q80 PolarHBondContact O-N 2.79Å; Q80-Q82 PolarHBondContact O-N 2.86Å |
| 81 | L | 65.6 | Low | 62.7 | Low | 153 Ų | 153 | 148.2 Ų | 148.2 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | | | trans | -54.4 | 117.2 | 168.8 | -94.7 | 97 | 0 | 0 | 0 | 106.9 | P79 T83 | P79-L81 PolarHBondContact O-N 2.93Å; L81-T83 PolarHBondContact O-N 2.74Å |
| 82 | Q | 66.8 | Low | 62 | Low | 192 Ų | 192 | 151.5 Ų | 151.5 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | | | trans | -68.8 | 78.8 | 168.9 | -65.4 | -176.9 | -61.5 | 0 | 0 | 108.1 | Q80 S84 | Q80-Q82 PolarHBondContact O-N 2.86Å; Q82-S84 PolarHBondContact O-N 2.95Å |
| 83 | T | 54.2 | Low | 61 | Low | 129 Ų | 129 | 146.3 Ų | 146.3 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | | | trans | -79.1 | 68.1 | 156.9 | 58.1 | 0 | 0 | 0 | 0 | 107 | L81 A85 | L81-T83 PolarHBondContact O-N 2.74Å; T83-A85 PolarHBondContact O-N 3.29Å |
| 84 | S | 50.9 | Low | 59.9 | Low | 107 Ų | 107 | 143.5 Ų | 143.5 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | | | trans | -78.7 | 111.5 | 168.4 | -171.7 | 0 | 0 | 0 | 0 | 107.9 | Q82 | Q82-S84 PolarHBondContact O-N 2.95Š|
| 85 | A | 52.9 | Low | 59 | Low | 87 Ų | 87 | 146.6 Ų | 146.6 | 72% | 0.719 | 79% | 0.791 | S | S | * | * | | | trans | 38.2 | 99.9 | 151.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | T83 | T83-A85 PolarHBondContact O-N 3.29Š|
| 86 | Q | 50.1 | Low | 58.3 | Low | 199 Ų | 199 | 149.6 Ų | 149.6 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | | | trans | -96 | 94.8 | 142.6 | -173.1 | 173 | -24.7 | 0 | 0 | 107.5 | | |
| 87 | E | 47 | Very low | 57.3 | Low | 161 Ų | 161 | 149 Ų | 149 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | | | trans | -70 | 151.7 | 167.7 | -130.8 | -88.7 | 139.6 | 0 | 0 | 109.3 | G89 | E87-G89 PolarHBondContact O-N 2.86Š|
| 88 | P | 50.3 | Low | 56.5 | Low | 98 Ų | 98 | 147.9 Ų | 147.9 | 64% | 0.636 | 80% | 0.802 | S | S | * | * | | | trans | -77.2 | 114.8 | -167.1 | 3.9 | 13.4 | 0 | 0 | 0 | 111.5 | K90 | P88-K90 PolarHBondContact O-N 3.42Š|
| 89 | G | 41.4 | Very low | 55.1 | Low | 74 Ų | 74 | 144.3 Ų | 144.3 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | | | trans | -68.5 | 98.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | E87 E91 | E87-G89 PolarHBondContact O-N 2.86Å; G89-E91 PolarHBondContact O-N 2.76Å |
| 90 | K | 48.7 | Very low | 54.2 | Low | 196 Ų | 196 | 141.7 Ų | 141.7 | 85% | 0.852 | 80% | 0.796 | S | S | * | * | | | trans | -42.1 | 114.9 | 155.6 | 58.8 | -165.3 | 179.6 | -71.3 | 0 | 111.5 | P88 | P88-K90 PolarHBondContact O-N 3.42Š|
| 91 | E | 47.9 | Very low | 53.4 | Low | 176 Ų | 176 | 140.8 Ų | 140.8 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | | | trans | -179.4 | 101.5 | 149.3 | -150.8 | 152.5 | -167.9 | 0 | 0 | 107.6 | G89 | G89-E91 PolarHBondContact O-N 2.76Š|
| 92 | E | 47.6 | Very low | 53 | Low | 172 Ų | 172 | 139.9 Ų | 139.9 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | | 88.7 | 137.7 | 105 | -163.1 | 175 | 138 | 0 | 0 | 114.5 | | |
| 93 | T | 47.5 | Very low | 52.7 | Low | 131 Ų | 131 | 141.3 Ų | 141.3 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | -51.9 | 142.7 | -170.6 | 45.9 | 0 | 0 | 0 | 0 | 117.3 | | |
| 94 | G | 44.1 | Very low | 53 | Low | 71 Ų | 71 | 142 Ų | 142 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | | | trans | -179.1 | 86.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | I96 | G94-I96 PolarHBondContact O-N 2.72Å; G94-I96 VanDerWaalsContact O-N 3.13Å |
| 95 | K | 59.2 | Low | 53.4 | Low | 194 Ų | 194 | 141.8 Ų | 141.8 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | | | trans | -40.5 | 107.8 | 167.3 | -177.8 | -171.8 | -169.5 | 179.6 | 0 | 113.2 | | |
| 96 | I | 59.4 | Low | 53.8 | Low | 171 Ų | 171 | 144 Ų | 144 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | | | trans | -128.4 | 128.3 | 152 | 56.5 | 170.6 | 0 | 0 | 0 | 111.4 | G94 | G94-I96 PolarHBondContact O-N 2.72Å; G94-I96 VanDerWaalsContact O-N 3.13Å |
| 97 | K | 60.5 | Low | 54 | Low | 171 Ų | 171 | 137 Ų | 137 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | | | trans | -95.3 | 140.3 | -174.4 | 40.7 | 178.6 | 164.3 | 177.5 | 0 | 108.3 | | |
| 98 | N | 60.2 | Low | 54.7 | Low | 168 Ų | 168 | 137.3 Ų | 137.3 | 90% | 0.898 | 77% | 0.771 | S | S | * | * | | | trans | 36.8 | 123.9 | 150.8 | -57.9 | -43.3 | 0 | 0 | 0 | 119 | | |
| 99 | G | 52.6 | Low | 55.1 | Low | 75 Ų | 75 | 135.6 Ų | 135.6 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | | | trans | 135.3 | 113.5 | 141.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 100 | G | 58.4 | Low | 56.2 | Low | 62 Ų | 62 | 139.2 Ų | 139.2 | 64% | 0.639 | 77% | 0.772 | S | S | * | * | | | trans | 72 | 127 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 101 | H | 56.5 | Low | 56.8 | Low | 169 Ų | 169 | 135.7 Ų | 135.7 | 78% | 0.782 | 77% | 0.769 | S | S | * | * | | | cis | -151.7 | 126.9 | 43.1 | -66.6 | -84.1 | 0 | 0 | 0 | 108 | R103 | H101-R103 HydrophobicContact CB-CG 4.45Å; H101-R103 PolarHBondContact O-N 2.81Å |
| 102 | T | 57.3 | Low | 57.6 | Low | 134 Ų | 134 | 136.8 Ų | 136.8 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | | | trans | -55.5 | 85.2 | 149.1 | -57.1 | 0 | 0 | 0 | 0 | 107.6 | M104 | T102-M104 VanDerWaalsContact C-N 3.32Å; T102-M104 HydrophobicContact CG2-CG 3.75Å; T102-M104 PolarHBondContact O-N 2.77Å |
| 103 | R | 59.4 | Low | 58.1 | Low | 223 Ų | 223 | 132 Ų | 132 | 84% | 0.842 | 77% | 0.77 | S | S | * | * | | | trans | -90.2 | 83.4 | 157.3 | -89.6 | -175.5 | 170.2 | -105 | 1.3 | 105.7 | H101 S105 | H101-R103 HydrophobicContact CB-CG 4.45Å; H101-R103 PolarHBondContact O-N 2.81Å; R103-S105 PolarHBondContact O-N 3.19Å |
| 104 | M | 61.1 | Low | 58.5 | Low | 142 Ų | 142 | 130.4 Ų | 130.4 | 70% | 0.7 | 77% | 0.77 | S | S | * | * | | | trans | -63.4 | 92.2 | 150.3 | -58 | -154.2 | -34.7 | 0 | 0 | 105.6 | T102 N106 | T102-M104 VanDerWaalsContact C-N 3.32Å; T102-M104 HydrophobicContact CG2-CG 3.75Å; T102-M104 PolarHBondContact O-N 2.77Å; M104-N106 PolarHBondContact O-N 3.11Å; M104-N106 PolarHBondContact O-OD1 3.49Å |
| 105 | S | 59.7 | Low | 59.5 | Low | 103 Ų | 103 | 137.2 Ų | 137.2 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | | | trans | -69.6 | 88 | 168.5 | 176.6 | 0 | 0 | 0 | 0 | 106.6 | R103 G107 | R103-S105 PolarHBondContact O-N 3.19Å; S105-G107 PolarHBondContact O-N 2.93Å |
| 106 | N | 60.7 | Low | 59 | Low | 135 Ų | 135 | 135.3 Ų | 135.3 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | | | trans | -78.5 | 55.6 | 161.3 | -54.6 | 5.7 | 0 | 0 | 0 | 106.8 | M104 N108 | M104-N106 PolarHBondContact O-N 3.11Å; M104-N106 PolarHBondContact O-OD1 3.49Å; N106-N108 PolarHBondContact O-N 2.83Å; N106-N108 VanDerWaalsContact O-N 3.11Å |
| 107 | G | 54.3 | Low | 58.7 | Low | 52 Ų | 52 | 133.4 Ų | 133.4 | 54% | 0.536 | 77% | 0.77 | S | S | . | * | | | trans | -82.7 | 88.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | S105 G109 | S105-G107 PolarHBondContact O-N 2.93Å; G107-G109 PolarHBondContact O-N 2.91Å |
| 108 | N | 62.4 | Low | 58.1 | Low | 166 Ų | 166 | 128.6 Ų | 128.6 | 89% | 0.888 | 76% | 0.758 | S | S | * | * | | | trans | -67.4 | 63 | 143.4 | -93.2 | 61.4 | 0 | 0 | 0 | 107.9 | N106 I110 | N106-N108 PolarHBondContact O-N 2.83Å; N106-N108 VanDerWaalsContact O-N 3.11Å; N108-I110 PolarHBondContact O-N 2.83Å |
| 109 | G | 57.9 | Low | 57.8 | Low | 62 Ų | 62 | 126.5 Ų | 126.5 | 64% | 0.639 | 75% | 0.751 | S | S | * | * | | | trans | -89.2 | 83.8 | 178 | 0 | 0 | 0 | 0 | 0 | 108.2 | G107 P111 | G107-G109 PolarHBondContact O-N 2.91Å; G109-P111 WeakPolarHBondContact O-CD 3.49Å |
| 110 | I | 64.2 | Low | 57.6 | Low | 151 Ų | 151 | 129 Ų | 129 | 77% | 0.774 | 74% | 0.742 | S | S | * | * | | | trans | -69.2 | 114.5 | 162 | -59.1 | 170.8 | 0 | 0 | 0 | 105.1 | N108 H112 | N108-I110 PolarHBondContact O-N 2.83Å; I110-H112 PolarHBondContact O-N 2.76Å |
| 111 | P | 62.8 | Low | 57.5 | Low | 121 Ų | 121 | 132.9 Ų | 132.9 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | | | trans | -64.5 | 110 | 175.2 | 26.2 | -31.3 | 0 | 0 | 0 | 107.8 | G109 G113 | G109-P111 WeakPolarHBondContact O-CD 3.49Å; P111-G113 PolarHBondContact O-N 3.05Å; P111-G113 VanDerWaalsContact O-N 3.14Å |
| 112 | H | 63.1 | Low | 57.7 | Low | 200 Ų | 200 | 131.3 Ų | 131.3 | 93% | 0.926 | 74% | 0.741 | S | S | * | * | | | trans | -74.3 | 101.1 | 173.4 | -166.5 | -74.8 | 0 | 0 | 0 | 108 | I110 | I110-H112 PolarHBondContact O-N 2.76Š|
| 113 | G | 59.6 | Low | 57.8 | Low | 71 Ų | 71 | 133.9 Ų | 133.9 | 73% | 0.732 | 74% | 0.741 | S | S | * | * | | | trans | 148.5 | 79.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 116 | P111 | P111-G113 PolarHBondContact O-N 3.05Å; P111-G113 VanDerWaalsContact O-N 3.14Å |
| 114 | A | 54.5 | Low | 57.8 | Low | 97 Ų | 97 | 131.4 Ų | 131.4 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | | | trans | -164.6 | 117.7 | 136.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | H116 | A114-H116 PolarHBondContact O-N 3.01Š|
| 115 | K | 66.5 | Low | 58 | Low | 214 Ų | 214 | 129.5 Ų | 129.5 | 93% | 0.93 | 74% | 0.743 | S | S | * | * | | | trans | -66.1 | 106 | 169.2 | -61.9 | -159.3 | 178.7 | -171.2 | 0 | 107.6 | | |
| 116 | H | 48.3 | Very low | 58.7 | Low | 155 Ų | 155 | 128.6 Ų | 128.6 | 72% | 0.718 | 74% | 0.742 | S | S | * | * | | | trans | -118.1 | 110.4 | 152.5 | -160.2 | -111.8 | 0 | 0 | 0 | 106.3 | A114 S118 | A114-H116 PolarHBondContact O-N 3.01Å; H116-S118 WeakPolarHBondContact ND1-CB 3.24Å; H116-S118 PolarHBondContact O-N 2.92Å |
| 117 | V | 53.7 | Low | 59.5 | Low | 130 Ų | 130 | 128 Ų | 128 | 79% | 0.788 | 75% | 0.746 | S | S | * | * | | | trans | -68.3 | 79.9 | 159.7 | -179.9 | 0 | 0 | 0 | 0 | 104.9 | V119 | V117-V119 VanDerWaalsContact C-N 3.32Å; V117-V119 HydrophobicContact CG1-CG2 4.29Å; V117-V119 PolarHBondContact O-N 3.42Å; V117-V119 VanDerWaalsContact O-N 3.08Å |
| 118 | S | 47.3 | Very low | 60.7 | Low | 71 Ų | 71 | 129 Ų | 129 | 50% | 0.497 | 74% | 0.741 | S | S | . | * | | | trans | -76.9 | 93.1 | 171 | -155.2 | 0 | 0 | 0 | 0 | 106.7 | H116 E120 | H116-S118 WeakPolarHBondContact ND1-CB 3.24Å; H116-S118 PolarHBondContact O-N 2.92Å; S118-E120 PolarHBondContact O-N 3.49Å |
| 119 | V | 53.7 | Low | 61.8 | Low | 124 Ų | 124 | 123.9 Ų | 123.9 | 75% | 0.752 | 72% | 0.718 | S | S | * | * | | | trans | -67.6 | 82.4 | 155.8 | 175.8 | 0 | 0 | 0 | 0 | 106 | V117 | V117-V119 VanDerWaalsContact C-N 3.32Å; V117-V119 HydrophobicContact CG1-CG2 4.29Å; V117-V119 PolarHBondContact O-N 3.42Å; V117-V119 VanDerWaalsContact O-N 3.08Å |
| 120 | E | 48.8 | Very low | 63 | Low | 128 Ų | 128 | 129.3 Ų | 129.3 | 60% | 0.598 | 73% | 0.727 | S | S | * | * | | | trans | -130.3 | 84.6 | 166.5 | -168.3 | 174.4 | -147.2 | 0 | 0 | 106.6 | S118 H122 | S118-E120 PolarHBondContact O-N 3.49Å; E120-H122 HydrophobicContact CG-CB 3.83Å; E120-H122 WeakPolarHBondContact CG-CD2 3.2Å; E120-H122 PolarHBondContact O-N 3Å; E120-H122 IonicContact OE1-CD2 3.99Å; E120-H122 PolarHBondContact OE1-CD2 3.38Å |
| 121 | N | 56.7 | Low | 64.3 | Low | 143 Ų | 143 | 130.6 Ų | 130.6 | 77% | 0.765 | 73% | 0.727 | S | S | * | * | | | trans | -69.6 | 55.7 | 165.5 | -72.7 | -69.3 | 0 | 0 | 0 | 110 | | |
| 122 | H | 58.9 | Low | 65.8 | Low | 136 Ų | 136 | 129.2 Ų | 129.2 | 63% | 0.63 | 71% | 0.711 | S | S | * | * | | | trans | -107.9 | 69.9 | 170.8 | -61.6 | -24.6 | 0 | 0 | 0 | 108.6 | E120 I124 | E120-H122 HydrophobicContact CG-CB 3.83Å; E120-H122 WeakPolarHBondContact CG-CD2 3.2Å; E120-H122 PolarHBondContact O-N 3Å; E120-H122 IonicContact OE1-CD2 3.99Å; E120-H122 PolarHBondContact OE1-CD2 3.38Å; H122-I124 VanDerWaalsContact C-N 3.35Å; H122-I124 PolarHBondContact O-N 3.42Å |
| 123 | K | 60.1 | Low | 67 | Low | 188 Ų | 188 | 124.9 Ų | 124.9 | 82% | 0.817 | 69% | 0.691 | S | S | * | * | | | trans | 30.1 | 66.3 | 151 | -45 | -172.5 | -171.3 | -167.8 | 0 | 112.9 | S125 | K123-S125 PolarHBondContact O-N 3.44Š|
| 124 | I | 59.9 | Low | 68.3 | Low | 170 Ų | 170 | 130.9 Ų | 130.9 | 87% | 0.872 | 69% | 0.692 | S | S | * | * | | | trans | -64.6 | 91.9 | 157.7 | -54.2 | 168.7 | 0 | 0 | 0 | 103.2 | H122 A126 | H122-I124 VanDerWaalsContact C-N 3.35Å; H122-I124 PolarHBondContact O-N 3.42Å; I124-A126 PolarHBondContact O-N 3.08Å |
| 125 | S | 65.8 | Low | 70 | Confident | 102 Ų | 102 | 133.7 Ų | 133.7 | 71% | 0.713 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 129.8 | -176.9 | -69.7 | 0 | 0 | 0 | 0 | 106.9 | K123 | K123-S125 PolarHBondContact O-N 3.44Š|
| 126 | A | 73.4 | Confident | 70.9 | Confident | 84 Ų | 84 | 127 Ų | 127 | 69% | 0.694 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 136.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | I124 V128 | I124-A126 PolarHBondContact O-N 3.08Å; A126-V128 PolarHBondContact O-N 3.38Å |
| 127 | P | 77.5 | Confident | 72.7 | Confident | 124 Ų | 124 | 124.8 Ų | 124.8 | 81% | 0.805 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 122.8 | -178.6 | 18.2 | -29.5 | 0 | 0 | 0 | 108.2 | S129 | P127-S129 PolarHBondContact O-N 3.02Š|
| 128 | V | 79.1 | Confident | 73.8 | Confident | 71 Ų | 71 | 121.9 Ų | 121.9 | 43% | 0.43 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -47.8 | 119 | 176.2 | 158.7 | 0 | 0 | 0 | 0 | 107.5 | A126 Q130 M132 H133 I136 | A126-V128 PolarHBondContact O-N 3.38Å; V128-Q130 PolarHBondContact O-N 3.44Å; V128-M132 HydrophobicContact CB-SD 4.08Å; V128-M132 HydrophobicContact CG1-CB 3.65Å; V128-M132 HydrophobicContact CG1-CG 3.58Å; V128-M132 HydrophobicContact CG1-SD 3.45Å; V128-M132 WeakPolarHBondContact CG1-SD 3.25Å; V128-M132 HydrophobicContact CG2-SD 3.77Å; V128-H133 HydrophobicContact CG1-CB 4.11Å; V128-I136 HydrophobicContact CG1-CD1 4.39Å |
| 129 | S | 85.1 | Confident | 75.3 | Confident | 60 Ų | 60 | 122.6 Ų | 122.6 | 42% | 0.42 | 64% | 0.64 | S | S | . | * | P | Polyproline II helix | trans | -49.5 | 142.9 | -177.8 | 67.3 | 0 | 0 | 0 | 0 | 110 | P127 K131 M132 H133 | P127-S129 PolarHBondContact O-N 3.02Å; S129-K131 PolarHBondContact O-N 3.48Å; S129-M132 CarbonylContact O-C 3.57Å; S129-M132 WeakPolarHBondContact O-CA 3.45Å; S129-M132 WeakPolarHBondContact O-CB 3.33Å; S129-M132 PolarHBondContact O-N 3.09Å; S129-M132 WeakPolarHBondContact OG-CB 3.33Å; S129-M132 PolarHBondContact OG-N 2.78Å; S129-H133 PolarHBondContact O-N 3.49Å |
| 130 | Q | 84.9 | Confident | 76.2 | Confident | 176 Ų | 176 | 122.9 Ų | 122.9 | 82% | 0.822 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -50.9 | -34.7 | -179.6 | -171.7 | -176.9 | 7.7 | 0 | 0 | 112.2 | V128 H133 R134 | V128-Q130 PolarHBondContact O-N 3.44Å; Q130-H133 PolarHBondContact O-N 3.3Å; Q130-R134 WeakPolarHBondContact O-CB 3.44Å; Q130-R134 PolarHBondContact O-N 2.9Å |
| 131 | K | 90.7 | Very high | 77.3 | Confident | 178 Ų | 178 | 120.4 Ų | 120.4 | 77% | 0.774 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -62.6 | -42.5 | 173.8 | -171.5 | 175.3 | 69.1 | 178.7 | 0 | 112.6 | S129 K135 | S129-K131 PolarHBondContact O-N 3.48Å; K131-K135 WeakPolarHBondContact O-CB 3.5Å; K131-K135 PolarHBondContact O-N 3.01Å |
| 132 | M | 93.5 | Very high | 77.5 | Confident | 91 Ų | 91 | 119.7 Ų | 119.7 | 45% | 0.448 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -71.4 | -40.2 | 175.8 | -179.6 | -162.9 | -52.1 | 0 | 0 | 111.3 | V128 S129 R134 K135 I136 | V128-M132 HydrophobicContact CB-SD 4.08Å; V128-M132 HydrophobicContact CG1-CB 3.65Å; V128-M132 HydrophobicContact CG1-CG 3.58Å; V128-M132 HydrophobicContact CG1-SD 3.45Å; V128-M132 WeakPolarHBondContact CG1-SD 3.25Å; V128-M132 HydrophobicContact CG2-SD 3.77Å; S129-M132 CarbonylContact O-C 3.57Å; S129-M132 WeakPolarHBondContact O-CA 3.45Å; S129-M132 WeakPolarHBondContact O-CB 3.33Å; S129-M132 PolarHBondContact O-N 3.09Å; S129-M132 WeakPolarHBondContact OG-CB 3.33Å; S129-M132 PolarHBondContact OG-N 2.78Å; M132-R134 VanDerWaalsContact C-N 3.33Å; M132-R134 PolarHBondContact O-N 3.03Å; M132-K135 PolarHBondContact O-N 2.94Å; M132-K135 VanDerWaalsContact O-N 3.14Å; M132-I136 HydrophobicContact CG-CD1 3.96Å; M132-I136 HydrophobicContact CG-CG1 4.46Å; M132-I136 WeakPolarHBondContact O-CG1 3.43Å; M132-I136 PolarHBondContact O-N 3.14Å; M132-I136 HydrophobicContact SD-CD1 4.43Å |
| 133 | H | 89.6 | Confident | 77.6 | Confident | 110 Ų | 110 | 119.3 Ų | 119.3 | 51% | 0.509 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -59.5 | -45.3 | 174.3 | -171.6 | 78.7 | 0 | 0 | 0 | 111.1 | V128 S129 Q130 K135 I136 Q137 | V128-H133 HydrophobicContact CG1-CB 4.11Å; S129-H133 PolarHBondContact O-N 3.49Å; Q130-H133 PolarHBondContact O-N 3.3Å; H133-K135 VanDerWaalsContact C-N 3.34Å; H133-K135 PolarHBondContact O-N 2.77Å; H133-I136 PolarHBondContact O-N 3Å; H133-Q137 WeakPolarHBondContact O-CB 3.44Å; H133-Q137 VanDerWaalsContact O-CG 3.25Å; H133-Q137 WeakPolarHBondContact O-CG 3.42Å; H133-Q137 PolarHBondContact O-N 2.92Å |
| 134 | R | 87 | Confident | 77.6 | Confident | 197 Ų | 197 | 116 Ų | 116 | 74% | 0.743 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -62.8 | -38.7 | 174.9 | -161 | 176.3 | -162.5 | -105.6 | 3.5 | 112.1 | Q130 M132 S138 | Q130-R134 WeakPolarHBondContact O-CB 3.44Å; Q130-R134 PolarHBondContact O-N 2.9Å; M132-R134 VanDerWaalsContact C-N 3.33Å; M132-R134 PolarHBondContact O-N 3.03Å; R134-S138 WeakPolarHBondContact O-CB 3.37Å; R134-S138 PolarHBondContact O-N 2.84Å; R134-S138 PolarHBondContact O-OG 3.42Å |
| 135 | K | 89.3 | Confident | 77.7 | Confident | 155 Ų | 155 | 113.6 Ų | 113.6 | 67% | 0.674 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -64 | -47.3 | 177.9 | -169.5 | 179.4 | 179.3 | -168.5 | 0 | 111.7 | K131 M132 H133 S138 S139 | K131-K135 WeakPolarHBondContact O-CB 3.5Å; K131-K135 PolarHBondContact O-N 3.01Å; M132-K135 PolarHBondContact O-N 2.94Å; M132-K135 VanDerWaalsContact O-N 3.14Å; H133-K135 VanDerWaalsContact C-N 3.34Å; H133-K135 PolarHBondContact O-N 2.77Å; K135-S138 WeakPolarHBondContact CA-OG 3.4Å; K135-S138 PolarHBondContact O-N 2.89Å; K135-S138 PolarHBondContact O-OG 3.15Å; K135-S139 WeakPolarHBondContact O-CB 3.39Å; K135-S139 PolarHBondContact O-N 3.28Å; K135-S139 PolarHBondContact O-OG 2.76Å |
| 136 | I | 86.1 | Confident | 77.4 | Confident | 75 Ų | 75 | 114.8 Ų | 114.8 | 39% | 0.385 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -61.7 | -46.8 | 177.9 | -65.2 | 164.5 | 0 | 0 | 0 | 110.3 | V128 M132 H133 S138 S139 L140 | V128-I136 HydrophobicContact CG1-CD1 4.39Å; M132-I136 HydrophobicContact CG-CD1 3.96Å; M132-I136 HydrophobicContact CG-CG1 4.46Å; M132-I136 WeakPolarHBondContact O-CG1 3.43Å; M132-I136 PolarHBondContact O-N 3.14Å; M132-I136 HydrophobicContact SD-CD1 4.43Å; H133-I136 PolarHBondContact O-N 3Å; I136-S138 VanDerWaalsContact C-N 3.35Å; I136-S138 PolarHBondContact O-N 3Å; I136-S139 PolarHBondContact O-OG 2.8Å; I136-L140 HydrophobicContact CG2-CD1 4.37Å; I136-L140 WeakPolarHBondContact O-CG 3.35Å; I136-L140 PolarHBondContact O-N 3.43Å |
| 137 | Q | 85.6 | Confident | 76.7 | Confident | 108 Ų | 108 | 113.2 Ų | 113.2 | 51% | 0.505 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.7 | -36.4 | 177.8 | -66.1 | -64.5 | -52.4 | 0 | 0 | 111.9 | H133 L140 S141 | H133-Q137 WeakPolarHBondContact O-CB 3.44Å; H133-Q137 VanDerWaalsContact O-CG 3.25Å; H133-Q137 WeakPolarHBondContact O-CG 3.42Å; H133-Q137 PolarHBondContact O-N 2.92Å; Q137-L140 PolarHBondContact O-N 2.83Å; Q137-S141 WeakPolarHBondContact O-CB 3.17Å; Q137-S141 PolarHBondContact O-N 3.08Å |
| 138 | S | 77.1 | Confident | 75.8 | Confident | 69 Ų | 69 | 117.8 Ų | 117.8 | 48% | 0.483 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -73.5 | -33.2 | 178.7 | 66 | 0 | 0 | 0 | 0 | 113.8 | R134 K135 I136 L140 S141 | R134-S138 WeakPolarHBondContact O-CB 3.37Å; R134-S138 PolarHBondContact O-N 2.84Å; R134-S138 PolarHBondContact O-OG 3.42Å; K135-S138 WeakPolarHBondContact CA-OG 3.4Å; K135-S138 PolarHBondContact O-N 2.89Å; K135-S138 PolarHBondContact O-OG 3.15Å; I136-S138 VanDerWaalsContact C-N 3.35Å; I136-S138 PolarHBondContact O-N 3Å; S138-L140 PolarHBondContact O-N 3.45Å; S138-S141 PolarHBondContact O-N 2.95Å |
| 139 | S | 77.7 | Confident | 75 | Confident | 86 Ų | 86 | 122.6 Ų | 122.6 | 60% | 0.601 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -70.9 | -24.5 | 177.3 | 49.9 | 0 | 0 | 0 | 0 | 112.4 | K135 I136 | K135-S139 WeakPolarHBondContact O-CB 3.39Å; K135-S139 PolarHBondContact O-N 3.28Å; K135-S139 PolarHBondContact O-OG 2.76Å; I136-S139 PolarHBondContact O-OG 2.8Å |
| 140 | L | 73.9 | Confident | 73.6 | Confident | 130 Ų | 130 | 125.5 Ų | 125.5 | 68% | 0.681 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -92.1 | -20 | 176.3 | -60.8 | 176.5 | 0 | 0 | 0 | 112.3 | I136 Q137 S138 V142 | I136-L140 HydrophobicContact CG2-CD1 4.37Å; I136-L140 WeakPolarHBondContact O-CG 3.35Å; I136-L140 PolarHBondContact O-N 3.43Å; Q137-L140 PolarHBondContact O-N 2.83Å; S138-L140 PolarHBondContact O-N 3.45Å; L140-V142 PolarHBondContact O-N 2.83Å; L140-V142 VanDerWaalsContact O-N 3.08Å |
| 141 | S | 71.4 | Confident | 72.5 | Confident | 76 Ų | 76 | 126.1 Ų | 126.1 | 53% | 0.531 | 64% | 0.64 | S | S | . | * | | | trans | -80.1 | 84.1 | 171.8 | -170.3 | 0 | 0 | 0 | 0 | 110.1 | Q137 S138 N143 | Q137-S141 WeakPolarHBondContact O-CB 3.17Å; Q137-S141 PolarHBondContact O-N 3.08Å; S138-S141 PolarHBondContact O-N 2.95Å; S141-N143 PolarHBondContact O-N 2.69Å; S141-N143 VanDerWaalsContact O-N 3.15Å |
| 142 | V | 60.8 | Low | 70.7 | Confident | 128 Ų | 128 | 123.3 Ų | 123.3 | 78% | 0.776 | 64% | 0.638 | S | S | * | * | | | trans | -66.6 | 107.9 | 152.8 | -78.1 | 0 | 0 | 0 | 0 | 106.2 | L140 N144 | L140-V142 PolarHBondContact O-N 2.83Å; L140-V142 VanDerWaalsContact O-N 3.08Å; V142-N144 VanDerWaalsContact C-N 3.26Å; V142-N144 PolarHBondContact O-N 2.87Å |
| 143 | N | 60.4 | Low | 68.9 | Low | 127 Ų | 127 | 125.8 Ų | 125.8 | 68% | 0.679 | 65% | 0.653 | S | S | * | * | | | trans | -60.1 | 94.2 | 176.8 | -158.7 | 24.9 | 0 | 0 | 0 | 107.1 | S141 D145 | S141-N143 PolarHBondContact O-N 2.69Å; S141-N143 VanDerWaalsContact O-N 3.15Å; N143-D145 PolarHBondContact ND2-OD2 3.01Å; N143-D145 PolarHBondContact O-N 2.69Å |
| 144 | N | 60.2 | Low | 67.5 | Low | 120 Ų | 120 | 125.5 Ų | 125.5 | 64% | 0.642 | 67% | 0.669 | S | S | * | * | | | trans | -77.8 | 60.4 | 176.3 | -166.4 | 11.4 | 0 | 0 | 0 | 108.2 | V142 I146 | V142-N144 VanDerWaalsContact C-N 3.26Å; V142-N144 PolarHBondContact O-N 2.87Å; N144-I146 PolarHBondContact O-N 2.91Å; N144-I146 WeakPolarHBondContact OD1-CG2 3.05Å; N144-I146 PolarHBondContact OD1-N 3.45Å |
| 145 | D | 61.8 | Low | 65.9 | Low | 118 Ų | 118 | 121.5 Ų | 121.5 | 63% | 0.631 | 67% | 0.667 | S | S | * | * | | | trans | -67.7 | 67.2 | 155.4 | -87.9 | -57.5 | 0 | 0 | 0 | 106.5 | N143 S147 | N143-D145 PolarHBondContact ND2-OD2 3.01Å; N143-D145 PolarHBondContact O-N 2.69Å; D145-S147 PolarHBondContact O-N 2.82Å |
| 146 | I | 59.8 | Low | 64.1 | Low | 128 Ų | 128 | 123.5 Ų | 123.5 | 66% | 0.656 | 68% | 0.676 | S | S | * | * | | | trans | -62.8 | 70.1 | 149.3 | 43.4 | 150.6 | 0 | 0 | 0 | 106.5 | N144 K148 | N144-I146 PolarHBondContact O-N 2.91Å; N144-I146 WeakPolarHBondContact OD1-CG2 3.05Å; N144-I146 PolarHBondContact OD1-N 3.45Å; I146-K148 PolarHBondContact O-N 2.92Å; I146-K148 VanDerWaalsContact O-N 3.08Å |
| 147 | S | 59 | Low | 62.8 | Low | 51 Ų | 51 | 125.6 Ų | 125.6 | 36% | 0.357 | 70% | 0.697 | S | S | . | * | | | trans | -51 | 121.1 | 169.4 | 71.8 | 0 | 0 | 0 | 0 | 105.4 | D145 K149 S150 | D145-S147 PolarHBondContact O-N 2.82Å; S147-K149 VanDerWaalsContact CB-CE 3.49Å; S147-K149 PolarHBondContact O-N 2.82Å; S147-K149 VanDerWaalsContact OG-CG 3.29Å; S147-K149 WeakPolarHBondContact OG-CG 3.29Å; S147-S150 PolarHBondContact O-N 2.79Å |
| 148 | K | 59.4 | Low | 61.2 | Low | 219 Ų | 219 | 126.3 Ų | 126.3 | 95% | 0.952 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | 25.2 | -178.8 | -64.9 | -179 | 174.5 | 178.1 | 0 | 113.2 | I146 | I146-K148 PolarHBondContact O-N 2.92Å; I146-K148 VanDerWaalsContact O-N 3.08Å |
| 149 | K | 61 | Low | 59.8 | Low | 172 Ų | 172 | 132.7 Ų | 132.7 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.7 | 5.9 | -174.2 | 47.5 | 178.5 | 165.9 | 178.9 | 0 | 113.6 | S147 K151 | S147-K149 VanDerWaalsContact CB-CE 3.49Å; S147-K149 PolarHBondContact O-N 2.82Å; S147-K149 VanDerWaalsContact OG-CG 3.29Å; S147-K149 WeakPolarHBondContact OG-CG 3.29Å; K149-K151 PolarHBondContact O-N 2.76Å |
| 150 | S | 56 | Low | 58.2 | Low | 122 Ų | 122 | 133 Ų | 133 | 85% | 0.853 | 74% | 0.738 | S | S | * | * | | | trans | -77.5 | 74.5 | 167.8 | -166.6 | 0 | 0 | 0 | 0 | 110.5 | S147 | S147-S150 PolarHBondContact O-N 2.79Š|
| 151 | K | 63.3 | Low | 56.8 | Low | 188 Ų | 188 | 131.5 Ų | 131.5 | 82% | 0.817 | 74% | 0.744 | S | S | * | * | | | trans | -136.2 | 113.2 | 167.4 | -173.1 | 170.4 | -177.2 | -179.5 | 0 | 106.6 | K149 | K149-K151 PolarHBondContact O-N 2.76Š|
| 152 | V | 51.8 | Low | 55.6 | Low | 120 Ų | 120 | 133.7 Ų | 133.7 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | | | trans | 73.9 | 115.5 | 172.5 | 177.7 | 0 | 0 | 0 | 0 | 113 | | |
| 153 | N | 55.8 | Low | 54.7 | Low | 143 Ų | 143 | 132 Ų | 132 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | | | | -147.1 | 117.5 | 66.5 | -100.7 | -55 | 0 | 0 | 0 | 112.5 | | |
| 154 | A | 59.7 | Low | 54.2 | Low | 103 Ų | 103 | 132.1 Ų | 132.1 | 85% | 0.851 | 76% | 0.761 | S | S | * | * | | | trans | -96.9 | 72.9 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 155 | V | 54.9 | Low | 53.4 | Low | 114 Ų | 114 | 134.8 Ų | 134.8 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | | | trans | -151.6 | 88.9 | 163 | 178 | 0 | 0 | 0 | 0 | 107.2 | | |
| 156 | F | 50.7 | Low | 52.9 | Low | 197 Ų | 197 | 132.8 Ų | 132.8 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | | | trans | -162.4 | 101.5 | 141 | -116 | -82.3 | 0 | 0 | 0 | 105.8 | P158 | F156-P158 VanDerWaalsContact O-CD 3.29Å; F156-P158 WeakPolarHBondContact O-CD 3.29Å |
| 157 | S | 58.4 | Low | 51.9 | Low | 118 Ų | 118 | 134.5 Ų | 134.5 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | trans | -87.8 | 117 | 166.9 | -65.5 | 0 | 0 | 0 | 0 | 108 | | |
| 158 | P | 53.2 | Low | 51 | Low | 123 Ų | 123 | 143.6 Ų | 143.6 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | | | trans | -94.4 | 112.6 | 145.3 | 2.2 | 16 | 0 | 0 | 0 | 107.3 | F156 | F156-P158 VanDerWaalsContact O-CD 3.29Å; F156-P158 WeakPolarHBondContact O-CD 3.29Å |
| 159 | K | 46.2 | Very low | 50.3 | Low | 204 Ų | 204 | 139.4 Ų | 139.4 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | | | trans | -80.3 | 138.5 | 169.8 | -167.9 | 163.2 | 178.7 | 170.5 | 0 | 108.3 | | |
| 160 | A | 44 | Very low | 49.8 | Very low | 92 Ų | 92 | 138.1 Ų | 138.1 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | | | trans | 97 | 103.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 161 | A | 46.2 | Very low | 49.2 | Very low | 99 Ų | 99 | 138.8 Ų | 138.8 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | | 70.6 | 103.1 | 126.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 162 | S | 44.6 | Very low | 48.6 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | | | | -166.6 | 151.6 | 105.4 | 62.2 | 0 | 0 | 0 | 0 | 111 | | |
| 163 | S | 43.1 | Very low | 48.6 | Very low | 94 Ų | 94 | 137.1 Ų | 137.1 | 66% | 0.657 | 79% | 0.786 | S | S | * | * | | | trans | -68 | 133.4 | -175.9 | -175.4 | 0 | 0 | 0 | 0 | 111.6 | E165 | S163-E165 PolarHBondContact O-N 2.77Š|
| 164 | P | 49.6 | Very low | 48.4 | Very low | 128 Ų | 128 | 137.8 Ų | 137.8 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | | | trans | -78.9 | 76.2 | 169.1 | 33 | -31.8 | 0 | 0 | 0 | 109 | | |
| 165 | E | 42.4 | Very low | 47.9 | Very low | 177 Ų | 177 | 141.6 Ų | 141.6 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | | | trans | -73.4 | 128.2 | 154.6 | -74 | -163.9 | 133.2 | 0 | 0 | 107.5 | S163 | S163-E165 PolarHBondContact O-N 2.77Š|
| 166 | G | 51.5 | Low | 47.5 | Very low | 76 Ų | 76 | 145.7 Ų | 145.7 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | | | trans | -63.5 | 133.3 | -165.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 167 | E | 40.3 | Very low | 47 | Very low | 164 Ų | 164 | 144.2 Ų | 144.2 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | | | trans | -135.9 | 109.2 | 159.1 | -167.5 | 158.6 | -162 | 0 | 0 | 107 | D169 | E167-D169 PolarHBondContact O-N 3.39Š|
| 168 | W | 40.1 | Very low | 46.7 | Very low | 241 Ų | 241 | 148 Ų | 148 | 91% | 0.913 | 79% | 0.791 | S | S | * | * | | | trans | -75 | 83.9 | 168.3 | -58 | 81.6 | 0 | 0 | 0 | 106.3 | I170 | W168-I170 VanDerWaalsContact C-N 3.33Å; W168-I170 PolarHBondContact O-N 2.94Å |
| 169 | D | 43.5 | Very low | 46.6 | Very low | 132 Ų | 132 | 147.5 Ų | 147.5 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | | | trans | -61.6 | 103.3 | 163.2 | -89.5 | -37.4 | 0 | 0 | 0 | 107.2 | E167 D171 | E167-D169 PolarHBondContact O-N 3.39Å; D169-D171 PolarHBondContact O-N 3.25Å |
| 170 | I | 49.8 | Very low | 46.7 | Very low | 145 Ų | 145 | 142.6 Ų | 142.6 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | | | trans | -67.1 | 90.1 | 169.7 | -55.8 | 176.5 | 0 | 0 | 0 | 105.2 | W168 V172 | W168-I170 VanDerWaalsContact C-N 3.33Å; W168-I170 PolarHBondContact O-N 2.94Å; I170-V172 HydrophobicContact CG2-CG2 4Å; I170-V172 PolarHBondContact O-N 3.12Å |
| 171 | D | 45.1 | Very low | 46.9 | Very low | 136 Ų | 136 | 146.9 Ų | 146.9 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | trans | -65.7 | 87.5 | 172.4 | -149.6 | 10.3 | 0 | 0 | 0 | 107 | D169 H173 | D169-D171 PolarHBondContact O-N 3.25Å; D171-H173 PolarHBondContact O-N 2.87Å; D171-H173 IonicContact OD2-ND1 3.17Å |
| 172 | V | 50.8 | Low | 46.9 | Very low | 119 Ų | 119 | 149.3 Ų | 149.3 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | | | trans | -68.4 | 81.8 | 172.5 | 179.3 | 0 | 0 | 0 | 0 | 106.4 | I170 L174 | I170-V172 HydrophobicContact CG2-CG2 4Å; I170-V172 PolarHBondContact O-N 3.12Å; V172-L174 PolarHBondContact O-N 3.47Å |
| 173 | H | 51.6 | Low | 47.3 | Very low | 154 Ų | 154 | 152.6 Ų | 152.6 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | | | trans | -64.6 | 90.9 | 165 | -118.3 | 78.9 | 0 | 0 | 0 | 107.2 | D171 K175 | D171-H173 PolarHBondContact O-N 2.87Å; D171-H173 IonicContact OD2-ND1 3.17Å; H173-K175 PolarHBondContact O-N 3.24Å |
| 174 | L | 50.8 | Low | 47.6 | Very low | 156 Ų | 156 | 156 Ų | 156 | 82% | 0.817 | 78% | 0.784 | S | S | * | * | | | trans | -58.7 | 86.1 | 165.5 | -179.4 | 65.8 | 0 | 0 | 0 | 107.7 | V172 K176 | V172-L174 PolarHBondContact O-N 3.47Å; L174-K176 PolarHBondContact O-N 3.06Å |
| 175 | K | 48.3 | Very low | 47.6 | Very low | 184 Ų | 184 | 156.2 Ų | 156.2 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | | | trans | -64.6 | 102.8 | 166.8 | -92.1 | -168.8 | 178.9 | 172.1 | 0 | 107.1 | H173 E177 | H173-K175 PolarHBondContact O-N 3.24Å; K175-E177 VanDerWaalsContact C-N 3.33Å; K175-E177 PolarHBondContact O-N 3.02Å |
| 176 | K | 47.9 | Very low | 47.9 | Very low | 199 Ų | 199 | 153 Ų | 153 | 87% | 0.865 | 78% | 0.775 | S | S | * | * | | | trans | -51.8 | 99.9 | 162.3 | -171.4 | 164.8 | -175.9 | 164.4 | 0 | 108.3 | L174 K178 | L174-K176 PolarHBondContact O-N 3.06Å; K176-K178 PolarHBondContact O-N 3.02Å; K176-K178 VanDerWaalsContact O-N 3.12Å |
| 177 | E | 39.3 | Very low | 47.8 | Very low | 166 Ų | 166 | 156.4 Ų | 156.4 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | | | trans | -62.3 | 109.5 | 175.8 | -170.3 | -179.6 | 154.4 | 0 | 0 | 108.2 | K175 T179 | K175-E177 VanDerWaalsContact C-N 3.33Å; K175-E177 PolarHBondContact O-N 3.02Å; E177-T179 PolarHBondContact O-N 2.99Å |
| 178 | K | 53.2 | Low | 48.1 | Very low | 198 Ų | 198 | 154.4 Ų | 154.4 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | | | trans | -81.7 | 97.4 | 173.3 | -167.1 | 175.5 | -174.3 | 176.2 | 0 | 107.1 | K176 | K176-K178 PolarHBondContact O-N 3.02Å; K176-K178 VanDerWaalsContact O-N 3.12Å |
| 179 | T | 50.6 | Low | 48.8 | Very low | 112 Ų | 112 | 152 Ų | 152 | 69% | 0.687 | 77% | 0.77 | S | S | * | * | | | trans | -52.2 | 126.2 | 173.7 | 13.1 | 0 | 0 | 0 | 0 | 110.5 | E177 H181 | E177-T179 PolarHBondContact O-N 2.99Å; T179-H181 PolarHBondContact O-N 3.14Å |
| 180 | P | 48.4 | Very low | 49.1 | Very low | 102 Ų | 102 | 150.8 Ų | 150.8 | 66% | 0.662 | 77% | 0.772 | S | S | * | * | | | trans | -71.5 | 117.8 | 166.3 | 28.2 | -29.5 | 0 | 0 | 0 | 107.8 | M182 | P180-M182 PolarHBondContact O-N 2.88Š|
| 181 | H | 48 | Very low | 49.1 | Very low | 181 Ų | 181 | 151.1 Ų | 151.1 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | | | trans | -59.9 | 100.5 | 171.8 | -146.8 | -77.4 | 0 | 0 | 0 | 108 | T179 K183 | T179-H181 PolarHBondContact O-N 3.14Å; H181-K183 PolarHBondContact O-N 2.97Å |
| 182 | M | 46.2 | Very low | 49.4 | Very low | 150 Ų | 150 | 153.6 Ų | 153.6 | 74% | 0.739 | 78% | 0.778 | S | S | * | * | | | trans | -66.2 | 106.4 | 173.1 | -71.2 | -88.5 | 69.2 | 0 | 0 | 107.4 | P180 L184 | P180-M182 PolarHBondContact O-N 2.88Å; M182-L184 PolarHBondContact O-N 3.02Å |
| 183 | K | 53.1 | Low | 49.6 | Very low | 191 Ų | 191 | 157.6 Ų | 157.6 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | | | trans | -66.5 | 101.9 | 165.1 | -71.4 | -178.1 | -179.5 | -178.6 | 0 | 106.6 | H181 L185 | H181-K183 PolarHBondContact O-N 2.97Å; K183-L185 PolarHBondContact O-N 3.27Å |
| 184 | L | 48 | Very low | 49.9 | Very low | 165 Ų | 165 | 156 Ų | 156 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | | | trans | -63.2 | 99.5 | 166.7 | -71.2 | 171.3 | 0 | 0 | 0 | 107.5 | M182 S186 | M182-L184 PolarHBondContact O-N 3.02Å; L184-S186 PolarHBondContact O-N 3.23Å; L184-S186 VanDerWaalsContact O-N 3.14Å |
| 185 | L | 50.7 | Low | 50.1 | Low | 133 Ų | 133 | 154 Ų | 154 | 70% | 0.696 | 78% | 0.784 | S | S | * | * | | | trans | -78.6 | 91.7 | 169.1 | -173.2 | 58.8 | 0 | 0 | 0 | 107.5 | K183 H187 | K183-L185 PolarHBondContact O-N 3.27Å; L185-H187 WeakPolarHBondContact CD2-CE1 3.45Å; L185-H187 VanDerWaalsContact CG-CE1 3.45Å; L185-H187 WeakPolarHBondContact CG-CE1 3.23Å; L185-H187 PolarHBondContact O-N 3.28Å |
| 186 | S | 48.9 | Very low | 50.3 | Low | 109 Ų | 109 | 152.5 Ų | 152.5 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | | | trans | -67.6 | 95.3 | 174.1 | 60.4 | 0 | 0 | 0 | 0 | 109.7 | L184 S188 | L184-S186 PolarHBondContact O-N 3.23Å; L184-S186 VanDerWaalsContact O-N 3.14Å; S186-S188 PolarHBondContact O-N 3.43Å |
| 187 | H | 48.5 | Very low | 50.5 | Low | 148 Ų | 148 | 150 Ų | 150 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | | | trans | -80.4 | 94.5 | 163.7 | -69.8 | 96.2 | 0 | 0 | 0 | 108.4 | L185 K189 | L185-H187 WeakPolarHBondContact CD2-CE1 3.45Å; L185-H187 VanDerWaalsContact CG-CE1 3.45Å; L185-H187 WeakPolarHBondContact CG-CE1 3.23Å; L185-H187 PolarHBondContact O-N 3.28Å; H187-K189 PolarHBondContact O-N 3.4Å |
| 188 | S | 47.8 | Very low | 51 | Low | 122 Ų | 122 | 150.7 Ų | 150.7 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | | | trans | -69.4 | 95.4 | 170.7 | -132.2 | 0 | 0 | 0 | 0 | 108.8 | S186 S190 | S186-S188 PolarHBondContact O-N 3.43Å; S188-S190 PolarHBondContact O-N 3.31Å |
| 189 | K | 55.2 | Low | 51 | Low | 189 Ų | 189 | 149.1 Ų | 149.1 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | | | trans | -75.2 | 100.4 | 166 | -78 | -178.2 | -179.4 | 178.3 | 0 | 107.7 | H187 I191 | H187-K189 PolarHBondContact O-N 3.4Å; K189-I191 PolarHBondContact O-N 3.31Å |
| 190 | S | 47.8 | Very low | 50.9 | Low | 107 Ų | 107 | 156 Ų | 156 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | | | trans | -65.7 | 101.1 | 169.9 | -175.2 | 0 | 0 | 0 | 0 | 109.2 | S188 K192 | S188-S190 PolarHBondContact O-N 3.31Å; S190-K192 PolarHBondContact O-N 3.19Å |
| 191 | I | 51 | Low | 51 | Low | 153 Ų | 153 | 158.7 Ų | 158.7 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | | | trans | -80.2 | 102.5 | 170.1 | -61.9 | 170.4 | 0 | 0 | 0 | 106.4 | K189 K193 | K189-I191 PolarHBondContact O-N 3.31Å; I191-K193 PolarHBondContact O-N 3.1Å; I191-K193 VanDerWaalsContact O-N 3.1Å |
| 192 | K | 52.3 | Low | 51.2 | Low | 187 Ų | 187 | 157.5 Ų | 157.5 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | | | trans | -64.4 | 108.5 | 169.2 | -66.6 | -179.1 | -171.9 | 178.4 | 0 | 107.9 | S190 T194 | S190-K192 PolarHBondContact O-N 3.19Å; K192-T194 PolarHBondContact O-N 3.21Å |
| 193 | K | 55 | Low | 51.4 | Low | 204 Ų | 204 | 157.9 Ų | 157.9 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | | | trans | -76.4 | 105.9 | 176.3 | -146.2 | 171.4 | -172.5 | 178.2 | 0 | 107.8 | I191 | I191-K193 PolarHBondContact O-N 3.1Å; I191-K193 VanDerWaalsContact O-N 3.1Å |
| 194 | T | 56 | Low | 51.4 | Low | 121 Ų | 121 | 155.9 Ų | 155.9 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | | | trans | -75.9 | 132 | 168.1 | 31.7 | 0 | 0 | 0 | 0 | 109.1 | K192 L196 | K192-T194 PolarHBondContact O-N 3.21Å; T194-L196 PolarHBondContact O-N 3.48Å |
| 195 | P | 56.3 | Low | 51.6 | Low | 114 Ų | 114 | 155.4 Ų | 155.4 | 74% | 0.74 | 81% | 0.81 | S | S | * | * | | | trans | -72.7 | 125.5 | 174.1 | 27.8 | -30.7 | 0 | 0 | 0 | 109.9 | N197 | P195-N197 PolarHBondContact O-N 3.45Š|
| 196 | L | 52.1 | Low | 51.6 | Low | 152 Ų | 152 | 156.9 Ų | 156.9 | 80% | 0.796 | 82% | 0.818 | S | S | * | * | | | trans | -73.3 | 113.9 | 168.7 | -138.9 | 89.4 | 0 | 0 | 0 | 107.2 | T194 F198 | T194-L196 PolarHBondContact O-N 3.48Å; L196-F198 PolarHBondContact O-N 3.31Å |
| 197 | N | 52.1 | Low | 51.8 | Low | 146 Ų | 146 | 160.3 Ų | 160.3 | 78% | 0.781 | 82% | 0.822 | S | S | * | * | | | trans | -68.2 | 116.5 | 169.9 | -69.7 | -54 | 0 | 0 | 0 | 108.4 | P195 L199 | P195-N197 PolarHBondContact O-N 3.45Å; N197-L199 PolarHBondContact O-N 3.44Å |
| 198 | F | 50.5 | Low | 52.1 | Low | 180 Ų | 180 | 161.2 Ų | 161.2 | 79% | 0.789 | 83% | 0.832 | S | S | * | * | | | trans | -81.4 | 109.5 | 169 | -117.8 | -96.4 | 0 | 0 | 0 | 107.7 | L196 | L196-F198 PolarHBondContact O-N 3.31Š|
| 199 | L | 52.5 | Low | 52.4 | Low | 165 Ų | 165 | 164.5 Ų | 164.5 | 86% | 0.864 | 83% | 0.83 | S | S | * | * | | | trans | -82.6 | 115.2 | 158.3 | -110.9 | 79.7 | 0 | 0 | 0 | 107 | N197 | N197-L199 PolarHBondContact O-N 3.44Š|
| 200 | Q | 48.3 | Very low | 52.2 | Low | 256 Ų | 256 | 162.3 Ų | 162.3 | 100% | 1.196 | 83% | 0.831 | S | S | * | * | | | trans | -155.2 | 0 | 141.7 | -148.2 | 166.8 | 18.8 | 0 | 0 | 110.1 | | |