| 1 | M | 35.7 | Very low | 41.7 | Very low | 230 Ų | 230 | 171 Ų | 171 | 100% | 1.133 | 82% | 0.823 | S | S | * | * | | | | 0 | 147.9 | 0 | -65.3 | -166.1 | -60.3 | 0 | 0 | 108.5 | | |
| 2 | I | 34.2 | Very low | 41.7 | Very low | 149 Ų | 149 | 170 Ų | 170 | 76% | 0.764 | 82% | 0.815 | S | S | * | * | | | cis | -149.3 | 136 | -11.5 | -110.6 | 162.1 | 0 | 0 | 0 | 109.5 | | |
| 3 | S | 35.7 | Very low | 41.3 | Very low | 85 Ų | 85 | 169.6 Ų | 169.6 | 59% | 0.594 | 81% | 0.808 | S | S | * | * | | | trans | 36.4 | 114.2 | 148.6 | -142.8 | 0 | 0 | 0 | 0 | 123.7 | | |
| 4 | R | 44.1 | Very low | 41.7 | Very low | 216 Ų | 216 | 168.4 Ų | 168.4 | 82% | 0.815 | 81% | 0.807 | S | S | * | * | | | | 48.2 | 121.7 | 122.6 | -54.1 | 175.6 | -168.4 | -147.9 | 0.6 | 120.4 | N6 | R4-N6 PolarHBondContact O-N 3.42Š|
| 5 | Y | 45.5 | Very low | 41.8 | Very low | 237 Ų | 237 | 165.7 Ų | 165.7 | 93% | 0.929 | 79% | 0.793 | S | S | * | * | | | trans | -66 | 112.4 | 153.7 | -73 | -87.4 | 0 | 0 | 0 | 111.3 | | |
| 6 | N | 43.5 | Very low | 42.1 | Very low | 143 Ų | 143 | 165.4 Ų | 165.4 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | | | trans | -89.3 | 115.2 | 166.9 | -83.5 | -33.3 | 0 | 0 | 0 | 110.4 | R4 | R4-N6 PolarHBondContact O-N 3.42Š|
| 7 | R | 49.5 | Very low | 42 | Very low | 245 Ų | 245 | 169.2 Ų | 169.2 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -81 | 121.3 | 163.2 | -73.4 | -177.4 | 173.9 | 170.8 | -1.7 | 108.6 | | |
| 8 | R | 43.2 | Very low | 41.8 | Very low | 229 Ų | 229 | 163.4 Ų | 163.4 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 133.3 | 173.9 | -65.7 | -178.4 | 178.7 | -178.3 | -0.9 | 109.7 | | |
| 9 | P | 46.3 | Very low | 41.4 | Very low | 118 Ų | 118 | 163.9 Ų | 163.9 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 145.5 | 163.2 | 30.6 | -33.2 | 0 | 0 | 0 | 109.9 | | |
| 10 | V | 39.5 | Very low | 41.2 | Very low | 117 Ų | 117 | 161.9 Ų | 161.9 | 71% | 0.709 | 80% | 0.801 | S | S | * | * | | | trans | -100.2 | 112 | 173.9 | 178.2 | 0 | 0 | 0 | 0 | 108.7 | H12 | V10-H12 PolarHBondContact O-N 3.01Š|
| 11 | S | 41.8 | Very low | 41.3 | Very low | 112 Ų | 112 | 166 Ų | 166 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | | | trans | -80.1 | 97.9 | -178.9 | -56.7 | 0 | 0 | 0 | 0 | 111.7 | K13 | S11-K13 PolarHBondContact O-N 3.4Å; S11-K13 VanDerWaalsContact O-N 3.17Å |
| 12 | H | 41.7 | Very low | 41.3 | Very low | 159 Ų | 159 | 160.1 Ų | 160.1 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | | | trans | -78.9 | 93.9 | 169.7 | -80.5 | -86.1 | 0 | 0 | 0 | 111.2 | V10 L14 | V10-H12 PolarHBondContact O-N 3.01Å; H12-L14 PolarHBondContact O-N 3.01Å |
| 13 | K | 36.6 | Very low | 41.5 | Very low | 165 Ų | 165 | 158.2 Ų | 158.2 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | | | trans | -77.2 | 101.3 | 169.3 | -170.6 | -166.7 | -171.2 | -167.3 | 0 | 109.6 | S11 E15 | S11-K13 PolarHBondContact O-N 3.4Å; S11-K13 VanDerWaalsContact O-N 3.17Å; K13-E15 HydrophobicContact CD-CG 4.24Å; K13-E15 WeakPolarHBondContact CE-OE1 3.4Å; K13-E15 HydrophobicContact CG-CG 4.4Å; K13-E15 IonicContact NZ-OE1 3.83Å; K13-E15 PolarHBondContact NZ-OE1 3.08Å; K13-E15 PolarHBondContact O-N 3.06Å |
| 14 | L | 46.6 | Very low | 41.8 | Very low | 152 Ų | 152 | 161 Ų | 161 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | | | trans | -86 | 99.6 | 172 | -68.6 | 176.6 | 0 | 0 | 0 | 110.3 | H12 I16 | H12-L14 PolarHBondContact O-N 3.01Å; L14-I16 PolarHBondContact O-N 3.26Å |
| 15 | E | 43.3 | Very low | 42.1 | Very low | 128 Ų | 128 | 157 Ų | 157 | 60% | 0.598 | 79% | 0.791 | S | S | * | * | | | trans | -81.3 | 98.1 | 167.8 | -72 | -175.6 | 179.8 | 0 | 0 | 110.2 | K13 R17 | K13-E15 HydrophobicContact CD-CG 4.24Å; K13-E15 WeakPolarHBondContact CE-OE1 3.4Å; K13-E15 HydrophobicContact CG-CG 4.4Å; K13-E15 IonicContact NZ-OE1 3.83Å; K13-E15 PolarHBondContact NZ-OE1 3.08Å; K13-E15 PolarHBondContact O-N 3.06Å; E15-R17 VanDerWaalsContact C-N 3.34Å; E15-R17 PolarHBondContact O-N 3.12Å |
| 16 | I | 46.5 | Very low | 42.1 | Very low | 161 Ų | 161 | 155.1 Ų | 155.1 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | | | trans | -75.1 | 88.9 | 171.9 | -57.1 | 178.1 | 0 | 0 | 0 | 108.5 | L14 G18 | L14-I16 PolarHBondContact O-N 3.26Å; I16-G18 PolarHBondContact O-N 3.47Å |
| 17 | R | 41.1 | Very low | 42.1 | Very low | 231 Ų | 231 | 153.7 Ų | 153.7 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | | | trans | -88.5 | 81.4 | -173 | -166 | 174.4 | -175.9 | 168.6 | 0.9 | 112.9 | E15 | E15-R17 VanDerWaalsContact C-N 3.34Å; E15-R17 PolarHBondContact O-N 3.12Å |
| 18 | G | 37.4 | Very low | 41.7 | Very low | 65 Ų | 65 | 148 Ų | 148 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | | | trans | 72.1 | 103.6 | 154.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | I16 | I16-G18 PolarHBondContact O-N 3.47Š|
| 19 | L | 35.1 | Very low | 41.8 | Very low | 173 Ų | 173 | 144.2 Ų | 144.2 | 91% | 0.906 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 121 | 153.8 | -67.3 | 175.2 | 0 | 0 | 0 | 108.5 | | |
| 20 | S | 37.1 | Very low | 41.6 | Very low | 123 Ų | 123 | 144 Ų | 144 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 143.2 | 175.2 | -71.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 21 | R | 43.6 | Very low | 41.9 | Very low | 249 Ų | 249 | 147.7 Ų | 147.7 | 94% | 0.94 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 133.1 | 176.3 | -62.4 | 165.7 | 64.9 | 178.3 | 1.6 | 110.2 | | |
| 22 | S | 35.4 | Very low | 41.9 | Very low | 106 Ų | 106 | 151.2 Ų | 151.2 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | | | trans | -154.1 | 113.7 | 163.3 | 55.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 23 | S | 38.7 | Very low | 41.8 | Very low | 108 Ų | 108 | 148.2 Ų | 148.2 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | | | trans | 34.7 | 102.6 | 160.1 | 58.8 | 0 | 0 | 0 | 0 | 118.4 | | |
| 24 | L | 41.9 | Very low | 41.9 | Very low | 144 Ų | 144 | 147.5 Ų | 147.5 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | | | trans | -131.5 | 35.8 | 154.9 | -139 | 169.8 | 0 | 0 | 0 | 110.4 | H27 | L24-H27 PolarHBondContact O-CE1 3.37Š|
| 25 | D | 49 | Very low | 41.8 | Very low | 131 Ų | 131 | 148.6 Ų | 148.6 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | | | trans | -81.9 | 161.4 | 168.8 | -65.8 | -71.8 | 0 | 0 | 0 | 110.5 | | |
| 26 | H | 46.7 | Very low | 41.7 | Very low | 198 Ų | 198 | 149.3 Ų | 149.3 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | | | trans | 73.1 | 54.1 | 179.5 | -43.9 | -38.4 | 0 | 0 | 0 | 116.1 | | |
| 27 | H | 42.5 | Very low | 41.2 | Very low | 114 Ų | 114 | 150.3 Ų | 150.3 | 53% | 0.528 | 80% | 0.804 | S | S | . | * | | | trans | -123.4 | 132.3 | 144.2 | 50 | -70.1 | 0 | 0 | 0 | 107.3 | L24 | L24-H27 PolarHBondContact O-CE1 3.37Š|
| 28 | P | 42.5 | Very low | 40.9 | Very low | 126 Ų | 126 | 146.4 Ų | 146.4 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 138.2 | 174 | 28.6 | -33 | 0 | 0 | 0 | 109.2 | | |
| 29 | L | 44.3 | Very low | 40.7 | Very low | 148 Ų | 148 | 147.9 Ų | 147.9 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 149.1 | 173.4 | -69.5 | 168.9 | 0 | 0 | 0 | 110 | | |
| 30 | P | 42.8 | Very low | 41.2 | Very low | 115 Ų | 115 | 144.9 Ų | 144.9 | 75% | 0.747 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 145.2 | 158.7 | -19.4 | 32.7 | 0 | 0 | 0 | 110.2 | E32 | P30-E32 PolarHBondContact O-N 2.83Š|
| 31 | E | 45.8 | Very low | 41.5 | Very low | 193 Ų | 193 | 146.6 Ų | 146.6 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 130.6 | 174.6 | -166.2 | 164.5 | -165.8 | 0 | 0 | 110 | A33 | E31-A33 PolarHBondContact O-N 3.31Š|
| 32 | E | 40.3 | Very low | 41.5 | Very low | 186 Ų | 186 | 144 Ų | 144 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 129.9 | 173.7 | -67.9 | -171.2 | 144 | 0 | 0 | 108.4 | P30 D34 | P30-E32 PolarHBondContact O-N 2.83Å; E32-D34 PolarHBondContact O-N 2.97Å |
| 33 | A | 41.5 | Very low | 42.1 | Very low | 97 Ų | 97 | 145.1 Ų | 145.1 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | | | trans | -76 | 115.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | E31 D35 | E31-A33 PolarHBondContact O-N 3.31Å; A33-D35 PolarHBondContact O-N 3.34Å |
| 34 | D | 38.5 | Very low | 42.4 | Very low | 149 Ų | 149 | 146.5 Ų | 146.5 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | | | trans | -56.3 | 126.6 | 173 | -81.3 | -47.9 | 0 | 0 | 0 | 111.1 | E32 I36 | E32-D34 PolarHBondContact O-N 2.97Å; D34-I36 HydrophobicContact CB-CG1 4.41Å; D34-I36 PolarHBondContact O-N 3.33Å |
| 35 | D | 44.2 | Very low | 42.6 | Very low | 176 Ų | 176 | 145.7 Ų | 145.7 | 94% | 0.941 | 77% | 0.77 | S | S | * | * | | | trans | -68.8 | 86.8 | 173.6 | -88.1 | -44.2 | 0 | 0 | 0 | 110.7 | A33 | A33-D35 PolarHBondContact O-N 3.34Š|
| 36 | I | 39.9 | Very low | 42.7 | Very low | 142 Ų | 142 | 144.1 Ų | 144.1 | 73% | 0.728 | 76% | 0.761 | S | S | * | * | | | trans | -124.6 | 106.4 | 171.5 | -55.4 | -177.4 | 0 | 0 | 0 | 111.7 | D34 | D34-I36 HydrophobicContact CB-CG1 4.41Å; D34-I36 PolarHBondContact O-N 3.33Å |
| 37 | E | 36.2 | Very low | 42.7 | Very low | 183 Ų | 183 | 141.2 Ų | 141.2 | 86% | 0.855 | 75% | 0.748 | S | S | * | * | | | trans | 1.8 | 128 | 160.6 | -55.3 | -173.3 | 143.3 | 0 | 0 | 119.7 | S39 | E37-S39 PolarHBondContact O-N 2.99Š|
| 38 | T | 35.1 | Very low | 43 | Very low | 148 Ų | 148 | 142.2 Ų | 142.2 | 91% | 0.908 | 75% | 0.753 | S | S | * | * | | | trans | -61.7 | 124.7 | 175 | 48.9 | 0 | 0 | 0 | 0 | 114 | | |
| 39 | S | 32.6 | Very low | 43.2 | Very low | 96 Ų | 96 | 139.2 Ų | 139.2 | 67% | 0.671 | 74% | 0.738 | S | S | * | * | | | trans | -95.1 | 141.3 | 176.1 | -172.5 | 0 | 0 | 0 | 0 | 112.9 | E37 H41 | E37-S39 PolarHBondContact O-N 2.99Å; S39-H41 PolarHBondContact O-N 2.97Å |
| 40 | P | 46.9 | Very low | 43.5 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 71% | 0.714 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -92.5 | 48.3 | -152.1 | 38.1 | -39.8 | 0 | 0 | 0 | 116 | | |
| 41 | H | 43.3 | Very low | 43.7 | Very low | 159 Ų | 159 | 135.1 Ų | 135.1 | 74% | 0.736 | 72% | 0.721 | S | S | * | * | | | trans | -90.6 | -16.3 | -179.8 | -83.5 | -81.3 | 0 | 0 | 0 | 115.8 | S39 L43 | S39-H41 PolarHBondContact O-N 2.97Å; H41-L43 VanDerWaalsContact C-N 3.29Å; H41-L43 PolarHBondContact O-N 2.87Å |
| 42 | Y | 43.9 | Very low | 43.6 | Very low | 195 Ų | 195 | 129.3 Ų | 129.3 | 77% | 0.765 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -5.6 | -174 | -163.1 | -106.3 | 0 | 0 | 0 | 115.4 | L46 | Y42-L46 HydrophobicContact CE1-CD1 4.49Š|
| 43 | L | 47.3 | Very low | 43.8 | Very low | 130 Ų | 130 | 128.1 Ų | 128.1 | 68% | 0.681 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | -4.5 | -171.9 | -66.7 | -179.1 | 0 | 0 | 0 | 115.5 | H41 | H41-L43 VanDerWaalsContact C-N 3.29Å; H41-L43 PolarHBondContact O-N 2.87Å |
| 44 | H | 45.9 | Very low | 44 | Very low | 137 Ų | 137 | 130.3 Ų | 130.3 | 63% | 0.634 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -85.7 | -44.7 | 179.6 | -155.3 | -83.7 | 0 | 0 | 0 | 112.6 | L46 Q47 E48 | H44-L46 VanDerWaalsContact C-N 3.26Å; H44-L46 PolarHBondContact O-N 3.36Å; H44-Q47 WeakPolarHBondContact O-CB 3.48Å; H44-Q47 PolarHBondContact O-N 2.94Å; H44-E48 PolarHBondContact O-N 3.43Å |
| 45 | D | 46.3 | Very low | 43.9 | Very low | 126 Ų | 126 | 133.9 Ų | 133.9 | 67% | 0.674 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -60.6 | -33.5 | -176.5 | -63.3 | 4.2 | 0 | 0 | 0 | 112.9 | Q47 E48 A49 | D45-Q47 VanDerWaalsContact C-N 3.31Å; D45-Q47 PolarHBondContact O-N 3.27Å; D45-E48 PolarHBondContact O-N 3.08Å; D45-A49 WeakPolarHBondContact O-CB 3.09Å; D45-A49 PolarHBondContact O-N 3.14Å; D45-A49 VanDerWaalsContact O-N 3.14Å |
| 46 | L | 50.4 | Low | 43.6 | Very low | 98 Ų | 98 | 135.1 Ų | 135.1 | 51% | 0.513 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -66.2 | -30.4 | 176.4 | -71.8 | 170.8 | 0 | 0 | 0 | 112.9 | Y42 H44 V50 | Y42-L46 HydrophobicContact CE1-CD1 4.49Å; H44-L46 VanDerWaalsContact C-N 3.26Å; H44-L46 PolarHBondContact O-N 3.36Å; L46-V50 WeakPolarHBondContact O-CG2 3.28Å; L46-V50 PolarHBondContact O-N 3.26Å |
| 47 | Q | 47.2 | Very low | 43.7 | Very low | 138 Ų | 138 | 135.4 Ų | 135.4 | 65% | 0.645 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -75.1 | -35.9 | -179.9 | -165.8 | 71.3 | 27 | 0 | 0 | 111.6 | H44 D45 S51 | H44-Q47 WeakPolarHBondContact O-CB 3.48Å; H44-Q47 PolarHBondContact O-N 2.94Å; D45-Q47 VanDerWaalsContact C-N 3.31Å; D45-Q47 PolarHBondContact O-N 3.27Å; Q47-S51 PolarHBondContact O-OG 3.38Å |
| 48 | E | 48.3 | Very low | 43.6 | Very low | 135 Ų | 135 | 132.4 Ų | 132.4 | 63% | 0.631 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -76.2 | -39.5 | 179.3 | -167.8 | 162.6 | 177.7 | 0 | 0 | 111.8 | H44 D45 V50 S51 A52 | H44-E48 PolarHBondContact O-N 3.43Å; D45-E48 PolarHBondContact O-N 3.08Å; E48-V50 VanDerWaalsContact C-N 3.35Å; E48-V50 PolarHBondContact O-N 2.98Å; E48-S51 WeakPolarHBondContact O-CB 3.46Å; E48-S51 PolarHBondContact O-N 3.3Å; E48-A52 PolarHBondContact O-N 2.86Å; E48-A52 VanDerWaalsContact O-N 3.16Å |
| 49 | A | 47.5 | Very low | 43.3 | Very low | 63 Ų | 63 | 132.7 Ų | 132.7 | 52% | 0.521 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -57.8 | -42.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D45 S51 A52 | D45-A49 WeakPolarHBondContact O-CB 3.09Å; D45-A49 PolarHBondContact O-N 3.14Å; D45-A49 VanDerWaalsContact O-N 3.14Å; A49-S51 VanDerWaalsContact C-N 3.27Å; A49-S51 PolarHBondContact O-N 3.3Å; A49-A52 PolarHBondContact O-N 3.49Å |
| 50 | V | 49.5 | Very low | 43.2 | Very low | 97 Ų | 97 | 138.2 Ų | 138.2 | 59% | 0.588 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -65.1 | -31.7 | 176.3 | 171.3 | 0 | 0 | 0 | 0 | 112 | L46 E48 | L46-V50 WeakPolarHBondContact O-CG2 3.28Å; L46-V50 PolarHBondContact O-N 3.26Å; E48-V50 VanDerWaalsContact C-N 3.35Å; E48-V50 PolarHBondContact O-N 2.98Å |
| 51 | S | 46.6 | Very low | 42.4 | Very low | 80 Ų | 80 | 143.3 Ų | 143.3 | 56% | 0.559 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -74.3 | -32.8 | -179.8 | -58.5 | 0 | 0 | 0 | 0 | 112.6 | Q47 E48 A49 | Q47-S51 PolarHBondContact O-OG 3.38Å; E48-S51 WeakPolarHBondContact O-CB 3.46Å; E48-S51 PolarHBondContact O-N 3.3Å; A49-S51 VanDerWaalsContact C-N 3.27Å; A49-S51 PolarHBondContact O-N 3.3Å |
| 52 | A | 45.2 | Very low | 41.7 | Very low | 71 Ų | 71 | 141.3 Ų | 141.3 | 59% | 0.587 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -71 | -30.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | E48 A49 N54 | E48-A52 PolarHBondContact O-N 2.86Å; E48-A52 VanDerWaalsContact O-N 3.16Å; A49-A52 PolarHBondContact O-N 3.49Å; A52-N54 PolarHBondContact O-N 2.91Å |
| 53 | H | 44.3 | Very low | 40.9 | Very low | 160 Ų | 160 | 138.1 Ų | 138.1 | 74% | 0.741 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -70.2 | -33 | -170.9 | -161.8 | 70.3 | 0 | 0 | 0 | 113.7 | R55 | H53-R55 VanDerWaalsContact C-N 3.26Å; H53-R55 PolarHBondContact O-N 2.82Å |
| 54 | N | 44.4 | Very low | 40.2 | Very low | 144 Ų | 144 | 142 Ų | 142 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -1.9 | -175.5 | -84.8 | -63.7 | 0 | 0 | 0 | 115.5 | A52 | A52-N54 PolarHBondContact O-N 2.91Š|
| 55 | R | 37.4 | Very low | 39.4 | Very low | 224 Ų | 224 | 141.2 Ų | 141.2 | 85% | 0.845 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | 2.6 | -170.8 | -169.9 | 164.7 | 171.8 | -175.9 | -3.3 | 115.5 | H53 | H53-R55 VanDerWaalsContact C-N 3.26Å; H53-R55 PolarHBondContact O-N 2.82Å |
| 56 | K | 36.9 | Very low | 38.5 | Very low | 201 Ų | 201 | 144.1 Ų | 144.1 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -126.9 | 28 | -174.9 | -70.5 | -170.7 | 177.5 | 179.6 | 0 | 115.9 | | |
| 57 | I | 42.8 | Very low | 37.3 | Very low | 149 Ų | 149 | 144.6 Ų | 144.6 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -107.1 | 142 | 159.3 | -60.5 | 178.5 | 0 | 0 | 0 | 107.3 | | |
| 58 | C | 33.2 | Very low | 36.4 | Very low | 120 Ų | 120 | 143.3 Ų | 143.3 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | | | trans | 79.7 | 85.1 | -175.1 | -59 | 0 | 0 | 0 | 0 | 117.9 | | |
| 59 | T | 29.7 | Very low | 35.3 | Very low | 153 Ų | 153 | 142.6 Ų | 142.6 | 94% | 0.939 | 78% | 0.775 | S | S | * | * | | | | -160.6 | 118.9 | 124.4 | 20.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 60 | F | 31.2 | Very low | 34.7 | Very low | 213 Ų | 213 | 146.3 Ų | 146.3 | 93% | 0.934 | 79% | 0.792 | S | S | * | * | | | trans | -120.2 | 119.9 | 175 | -139.6 | -82.7 | 0 | 0 | 0 | 107.2 | | |
| 61 | R | 28.6 | Very low | 33.9 | Very low | 217 Ų | 217 | 146.9 Ų | 146.9 | 82% | 0.819 | 80% | 0.8 | S | S | * | * | | | trans | -179.1 | 132.5 | 151.4 | -106.8 | -170.4 | 121.7 | 151.8 | 5.7 | 115.7 | | |
| 62 | D | 29.8 | Very low | 33.2 | Very low | 116 Ų | 116 | 151 Ų | 151 | 62% | 0.62 | 81% | 0.814 | S | S | * | * | | | trans | 32.8 | 114.4 | 138.2 | -47.5 | -20.1 | 0 | 0 | 0 | 121 | | |
| 63 | S | 26.1 | Very low | 32.7 | Very low | 129 Ų | 129 | 152.5 Ų | 152.5 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | | | | -173.4 | 162.7 | 113.5 | 33.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 64 | K | 32.3 | Very low | 32.3 | Very low | 211 Ų | 211 | 153.4 Ų | 153.4 | 92% | 0.917 | 82% | 0.824 | S | S | * | * | | | trans | -104.5 | 143.6 | -171.5 | -60.7 | 174.2 | 178.9 | 177 | 0 | 113 | | |
| 65 | S | 30.1 | Very low | 31.6 | Very low | 120 Ų | 120 | 151.1 Ų | 151.1 | 84% | 0.839 | 82% | 0.82 | S | S | * | * | | | trans | -159.7 | 159.1 | 143.4 | 59.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 66 | Q | 27.9 | Very low | 31.7 | Very low | 187 Ų | 187 | 152.1 Ų | 152.1 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | | | trans | -73.7 | 168.9 | 170.3 | -62.7 | 149.2 | -42.6 | 0 | 0 | 109.3 | | |
| 67 | S | 25.2 | Very low | 31.8 | Very low | 108 Ų | 108 | 147.5 Ų | 147.5 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | | | cis | -164.9 | 161.8 | 33.7 | 51.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 68 | S | 26.9 | Very low | 31.2 | Very low | 112 Ų | 112 | 143 Ų | 143 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | | | trans | -25 | 137.8 | 166.6 | 54.5 | 0 | 0 | 0 | 0 | 120.4 | | |
| 69 | S | 25.5 | Very low | 31.2 | Very low | 120 Ų | 120 | 144.9 Ų | 144.9 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | | | | -162 | 164 | 110.7 | 70.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 70 | T | 35.8 | Very low | 31.4 | Very low | 141 Ų | 141 | 145.5 Ų | 145.5 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | | | trans | -104.2 | 115.9 | -178.2 | 46.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 71 | S | 33.1 | Very low | 31.6 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | | | trans | -171.9 | 125.4 | 146.4 | 52.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 72 | I | 31.7 | Very low | 32.1 | Very low | 167 Ų | 167 | 134.8 Ų | 134.8 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | | | trans | -138.7 | 108.3 | 157.8 | -60.1 | -173.6 | 0 | 0 | 0 | 107.7 | | |
| 73 | S | 33.2 | Very low | 32.7 | Very low | 102 Ų | 102 | 135.4 Ų | 135.4 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | | | trans | -65.3 | 138.8 | 167.8 | -53.5 | 0 | 0 | 0 | 0 | 109.8 | S75 | S73-S75 VanDerWaalsContact C-N 3.29Å; S73-S75 PolarHBondContact O-N 3.49Å |
| 74 | Q | 35.7 | Very low | 33.8 | Very low | 179 Ų | 179 | 132.8 Ų | 132.8 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | | | trans | -76.4 | 81 | 175.4 | -65.8 | -175.8 | 7.2 | 0 | 0 | 110.3 | W76 | Q74-W76 PolarHBondContact O-N 3.38Š|
| 75 | S | 29.8 | Very low | 34.3 | Very low | 96 Ų | 96 | 128.7 Ų | 128.7 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | | | trans | -70.9 | 120.5 | 174.8 | -68.5 | 0 | 0 | 0 | 0 | 111.3 | S73 S77 | S73-S75 VanDerWaalsContact C-N 3.29Å; S73-S75 PolarHBondContact O-N 3.49Å; S75-S77 VanDerWaalsContact C-N 3.29Å; S75-S77 PolarHBondContact O-N 3.39Å |
| 76 | W | 39.6 | Very low | 34.9 | Very low | 245 Ų | 245 | 125.6 Ų | 125.6 | 93% | 0.928 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -76.8 | 73.2 | 178 | -77.3 | 59.4 | 0 | 0 | 0 | 111.6 | Q74 | Q74-W76 PolarHBondContact O-N 3.38Š|
| 77 | S | 39.6 | Very low | 35.8 | Very low | 104 Ų | 104 | 125.3 Ų | 125.3 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | trans | -155.3 | 81.9 | 178.1 | 59.6 | 0 | 0 | 0 | 0 | 112.2 | S75 | S75-S77 VanDerWaalsContact C-N 3.29Å; S75-S77 PolarHBondContact O-N 3.39Å |
| 78 | G | 30.5 | Very low | 36.6 | Very low | 55 Ų | 55 | 125.3 Ų | 125.3 | 57% | 0.567 | 77% | 0.768 | S | S | * | * | | | trans | -175.7 | 79.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | H80 | G78-H80 PolarHBondContact O-CD2 3.3Å; G78-H80 PolarHBondContact O-N 2.85Å |
| 79 | I | 33.8 | Very low | 37.8 | Very low | 159 Ų | 159 | 125.5 Ų | 125.5 | 82% | 0.815 | 77% | 0.765 | S | S | * | * | | | trans | -73.9 | 94 | 170.8 | -55.9 | 176.5 | 0 | 0 | 0 | 108 | S81 | I79-S81 VanDerWaalsContact C-N 3.28Å; I79-S81 PolarHBondContact O-N 3.37Å |
| 80 | H | 33.3 | Very low | 39 | Very low | 167 Ų | 167 | 127.7 Ų | 127.7 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | | | trans | -77.3 | 79.1 | 174.8 | -73.7 | -79.7 | 0 | 0 | 0 | 110.5 | G78 S82 | G78-H80 PolarHBondContact O-CD2 3.3Å; G78-H80 PolarHBondContact O-N 2.85Å; H80-S82 PolarHBondContact O-N 3.39Å |
| 81 | S | 35.4 | Very low | 39.8 | Very low | 99 Ų | 99 | 133.1 Ų | 133.1 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | | | trans | -68.2 | 68.7 | 173.7 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | I79 T83 | I79-S81 VanDerWaalsContact C-N 3.28Å; I79-S81 PolarHBondContact O-N 3.37Å; S81-T83 PolarHBondContact O-N 3.19Å |
| 82 | S | 38 | Very low | 40.4 | Very low | 105 Ų | 105 | 133 Ų | 133 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | | | trans | -77 | 46 | -176.5 | -63.5 | 0 | 0 | 0 | 0 | 113.8 | H80 G84 | H80-S82 PolarHBondContact O-N 3.39Å; S82-G84 PolarHBondContact O-N 3.1Å |
| 83 | T | 42.5 | Very low | 41.2 | Very low | 130 Ų | 130 | 129.2 Ų | 129.2 | 80% | 0.798 | 75% | 0.754 | S | S | * | * | | | trans | -80 | 51.7 | 172.3 | -45.6 | 0 | 0 | 0 | 0 | 110.7 | S81 T85 | S81-T83 PolarHBondContact O-N 3.19Å; T83-T85 VanDerWaalsContact C-N 3.33Å; T83-T85 PolarHBondContact O-N 3.02Å |
| 84 | G | 50.6 | Low | 42 | Very low | 74 Ų | 74 | 131 Ų | 131 | 76% | 0.763 | 76% | 0.76 | S | S | * | * | | | trans | -92.2 | 37.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | S82 | S82-G84 PolarHBondContact O-N 3.1Š|
| 85 | T | 42.7 | Very low | 42.6 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 77% | 0.767 | 75% | 0.754 | S | S | * | * | | | trans | -91.2 | 106.4 | -178.9 | -47.9 | 0 | 0 | 0 | 0 | 110.1 | T83 | T83-T85 VanDerWaalsContact C-N 3.33Å; T83-T85 PolarHBondContact O-N 3.02Å |
| 86 | G | 42.6 | Very low | 43.8 | Very low | 54 Ų | 54 | 130.5 Ų | 130.5 | 56% | 0.557 | 76% | 0.756 | S | S | * | * | | | trans | -63.7 | 160.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | S88 | G86-S88 PolarHBondContact O-N 2.87Å; G86-S88 PolarHBondContact O-OG 3.49Å |
| 87 | I | 47.1 | Very low | 44.3 | Very low | 181 Ų | 181 | 128.6 Ų | 128.6 | 93% | 0.928 | 75% | 0.749 | S | S | * | * | | | trans | -46.3 | 91.7 | 179.9 | 45.4 | 163.5 | 0 | 0 | 0 | 114.1 | | |
| 88 | S | 42.1 | Very low | 45.2 | Very low | 108 Ų | 108 | 127.1 Ų | 127.1 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | | | trans | -111.9 | 115.1 | 166.4 | -59.5 | 0 | 0 | 0 | 0 | 108 | G86 | G86-S88 PolarHBondContact O-N 2.87Å; G86-S88 PolarHBondContact O-OG 3.49Å |
| 89 | T | 51.7 | Low | 46.5 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | | | trans | -71.4 | 171.7 | 178.1 | 42.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 90 | E | 49.5 | Very low | 48.4 | Very low | 165 Ų | 165 | 130.1 Ų | 130.1 | 77% | 0.771 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 75.2 | 82.4 | 164.7 | -63.1 | 141.2 | -92.6 | 0 | 0 | 118.3 | | |
| 91 | R | 53.9 | Low | 50.8 | Low | 255 Ų | 255 | 129.4 Ų | 129.4 | 96% | 0.962 | 74% | 0.739 | S | S | * | * | | | trans | 70.4 | 42.9 | 138.8 | -63 | 178.8 | 156.2 | -175.1 | -6.1 | 118.6 | | |
| 92 | S | 45.6 | Very low | 53.2 | Low | 106 Ų | 106 | 132.1 Ų | 132.1 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | | | trans | -92.2 | 130.8 | 162.4 | -160.9 | 0 | 0 | 0 | 0 | 113.1 | V94 | S92-V94 PolarHBondContact O-N 2.95Š|
| 93 | S | 47.9 | Very low | 55.7 | Low | 87 Ų | 87 | 132 Ų | 132 | 61% | 0.608 | 73% | 0.73 | S | S | * | * | | | trans | -3.7 | 90.5 | 173 | 59.2 | 0 | 0 | 0 | 0 | 119.9 | F95 | S93-F95 VanDerWaalsContact C-N 3.27Å; S93-F95 PolarHBondContact O-N 3.3Å |
| 94 | V | 51 | Low | 57.9 | Low | 140 Ų | 140 | 130.2 Ų | 130.2 | 85% | 0.848 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 73.8 | 159.2 | -174.4 | 0 | 0 | 0 | 0 | 109.6 | S92 | S92-V94 PolarHBondContact O-N 2.95Š|
| 95 | F | 48.1 | Very low | 59.7 | Low | 163 Ų | 163 | 129 Ų | 129 | 72% | 0.715 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -172.7 | 38.3 | 156.8 | -110.5 | -61.6 | 0 | 0 | 0 | 113.9 | S93 W97 | S93-F95 VanDerWaalsContact C-N 3.27Å; S93-F95 PolarHBondContact O-N 3.3Å; F95-W97 HydrophobicContact CD1-CZ2 4.47Å; F95-W97 AromaticContact CD1-NE1 3.54Å; F95-W97 HydrophobicContact CE1-CZ2 4.03Å; F95-W97 AromaticContact CE1-NE1 3.96Å; F95-W97 PolarHBondContact O-N 2.99Å |
| 96 | S | 54.4 | Low | 62 | Low | 101 Ų | 101 | 124.7 Ų | 124.7 | 71% | 0.706 | 67% | 0.67 | S | S | * | * | | | trans | -72 | 106.7 | 167.1 | -62.5 | 0 | 0 | 0 | 0 | 109.6 | G98 | S96-G98 PolarHBondContact O-N 2.67Å; S96-G98 VanDerWaalsContact O-N 3.13Å |
| 97 | W | 49.8 | Very low | 64.4 | Low | 205 Ų | 205 | 125.7 Ų | 125.7 | 78% | 0.777 | 67% | 0.669 | S | S | * | * | | | trans | -70.2 | 106.2 | 173.3 | -73.6 | 80 | 0 | 0 | 0 | 109.1 | F95 Y99 | F95-W97 HydrophobicContact CD1-CZ2 4.47Å; F95-W97 AromaticContact CD1-NE1 3.54Å; F95-W97 HydrophobicContact CE1-CZ2 4.03Å; F95-W97 AromaticContact CE1-NE1 3.96Å; F95-W97 PolarHBondContact O-N 2.99Å; W97-Y99 PolarHBondContact O-N 2.92Å |
| 98 | G | 59.5 | Low | 66.4 | Low | 74 Ų | 74 | 124.8 Ų | 124.8 | 76% | 0.763 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 54.1 | -173 | 0 | 0 | 0 | 0 | 0 | 115.1 | S96 | S96-G98 PolarHBondContact O-N 2.67Å; S96-G98 VanDerWaalsContact O-N 3.13Å |
| 99 | Y | 56.3 | Low | 68.7 | Low | 192 Ų | 192 | 124 Ų | 124 | 75% | 0.753 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.2 | -5.1 | 174 | -97.2 | -86.7 | 0 | 0 | 0 | 113.2 | W97 E101 | W97-Y99 PolarHBondContact O-N 2.92Å; Y99-E101 VanDerWaalsContact C-N 3.28Å; Y99-E101 PolarHBondContact O-N 3.37Å |
| 100 | D | 74.9 | Confident | 70.6 | Confident | 85 Ų | 85 | 122 Ų | 122 | 46% | 0.455 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -75.4 | -10.9 | -175.9 | 77.3 | 5.2 | 0 | 0 | 0 | 114.3 | K104 | D100-K104 VanDerWaalsContact O-CB 3.23Å; D100-K104 WeakPolarHBondContact O-CB 3.29Å; D100-K104 VanDerWaalsContact O-CD 3.25Å; D100-K104 WeakPolarHBondContact O-CD 3.35Å; D100-K104 WeakPolarHBondContact O-CG 3.32Å; D100-K104 PolarHBondContact O-N 3.41Å; D100-K104 WeakPolarHBondContact OD1-CE 3.11Å; D100-K104 IonicContact OD1-NZ 3.39Å; D100-K104 PolarHBondContact OD1-NZ 3.37Å; D100-K104 VanDerWaalsContact OD2-CE 3.24Å; D100-K104 WeakPolarHBondContact OD2-CE 3.4Å; D100-K104 IonicContact OD2-NZ 3.04Å; D100-K104 PolarHBondContact OD2-NZ 3.03Å |
| 101 | E | 82.6 | Confident | 72.5 | Confident | 151 Ų | 151 | 119.1 Ų | 119.1 | 71% | 0.706 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -70.3 | -42.2 | 178.8 | -177.4 | 164.2 | -141.1 | 0 | 0 | 112.7 | Y99 K104 A105 | Y99-E101 VanDerWaalsContact C-N 3.28Å; Y99-E101 PolarHBondContact O-N 3.37Å; E101-K104 PolarHBondContact O-N 3.44Å; E101-A105 WeakPolarHBondContact O-CB 3.43Å; E101-A105 PolarHBondContact O-N 2.89Å |
| 102 | F | 86.4 | Confident | 74.1 | Confident | 156 Ų | 156 | 111.8 Ų | 111.8 | 68% | 0.684 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.6 | -46.6 | 174.8 | -178.2 | -93.1 | 0 | 0 | 0 | 110.8 | K104 A105 A106 | F102-K104 VanDerWaalsContact C-N 3.31Å; F102-K104 PolarHBondContact O-N 3.19Å; F102-A105 WeakPolarHBondContact O-CB 3.25Å; F102-A105 PolarHBondContact O-N 3.28Å; F102-A105 VanDerWaalsContact O-N 3.08Å; F102-A106 WeakPolarHBondContact O-CB 3.37Å; F102-A106 PolarHBondContact O-N 3.43Å |
| 103 | D | 90.9 | Very high | 76.1 | Confident | 102 Ų | 102 | 109.4 Ų | 109.4 | 55% | 0.545 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63 | -36.6 | 177.3 | -74.3 | -1.6 | 0 | 0 | 0 | 111.9 | S107 | D103-S107 WeakPolarHBondContact O-CB 3.28Å; D103-S107 PolarHBondContact O-N 2.91Å; D103-S107 PolarHBondContact O-OG 3.02Å |
| 104 | K | 89.2 | Confident | 78 | Confident | 94 Ų | 94 | 110.8 Ų | 110.8 | 41% | 0.409 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.1 | -41.2 | 170.8 | -76.6 | 161.9 | -170.1 | 164.1 | 0 | 112.1 | D100 E101 F102 S107 R108 | D100-K104 VanDerWaalsContact O-CB 3.23Å; D100-K104 WeakPolarHBondContact O-CB 3.29Å; D100-K104 VanDerWaalsContact O-CD 3.25Å; D100-K104 WeakPolarHBondContact O-CD 3.35Å; D100-K104 WeakPolarHBondContact O-CG 3.32Å; D100-K104 PolarHBondContact O-N 3.41Å; D100-K104 WeakPolarHBondContact OD1-CE 3.11Å; D100-K104 IonicContact OD1-NZ 3.39Å; D100-K104 PolarHBondContact OD1-NZ 3.37Å; D100-K104 VanDerWaalsContact OD2-CE 3.24Å; D100-K104 WeakPolarHBondContact OD2-CE 3.4Å; D100-K104 IonicContact OD2-NZ 3.04Å; D100-K104 PolarHBondContact OD2-NZ 3.03Å; E101-K104 PolarHBondContact O-N 3.44Å; F102-K104 VanDerWaalsContact C-N 3.31Å; F102-K104 PolarHBondContact O-N 3.19Å; K104-S107 PolarHBondContact O-N 3.03Å; K104-R108 WeakPolarHBondContact O-CB 3.24Å; K104-R108 VanDerWaalsContact O-CG 3.22Å; K104-R108 WeakPolarHBondContact O-CG 3.41Å; K104-R108 PolarHBondContact O-N 2.82Å |
| 105 | A | 87.8 | Confident | 79.6 | Confident | 48 Ų | 48 | 107.3 Ų | 107.3 | 40% | 0.397 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.8 | -47.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | E101 F102 S107 R108 Q109 | E101-A105 WeakPolarHBondContact O-CB 3.43Å; E101-A105 PolarHBondContact O-N 2.89Å; F102-A105 WeakPolarHBondContact O-CB 3.25Å; F102-A105 PolarHBondContact O-N 3.28Å; F102-A105 VanDerWaalsContact O-N 3.08Å; A105-S107 PolarHBondContact O-N 3.26Å; A105-R108 PolarHBondContact O-N 2.77Å; A105-Q109 PolarHBondContact O-N 2.97Å |
| 106 | A | 89.8 | Confident | 81.4 | Confident | 34 Ų | 34 | 100.8 Ų | 100.8 | 28% | 0.281 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.9 | -42.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F102 R108 Q109 V110 | F102-A106 WeakPolarHBondContact O-CB 3.37Å; F102-A106 PolarHBondContact O-N 3.43Å; A106-R108 PolarHBondContact O-N 3.41Å; A106-Q109 PolarHBondContact O-N 3.48Å; A106-V110 WeakPolarHBondContact O-CG2 3.45Å; A106-V110 PolarHBondContact O-N 3.47Å |
| 107 | S | 93.6 | Very high | 82.8 | Confident | 76 Ų | 76 | 97.2 Ų | 97.2 | 53% | 0.531 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.9 | -38.9 | 176.2 | -61.3 | 0 | 0 | 0 | 0 | 112.5 | D103 K104 A105 Q111 | D103-S107 WeakPolarHBondContact O-CB 3.28Å; D103-S107 PolarHBondContact O-N 2.91Å; D103-S107 PolarHBondContact O-OG 3.02Å; K104-S107 PolarHBondContact O-N 3.03Å; A105-S107 PolarHBondContact O-N 3.26Å; S107-Q111 WeakPolarHBondContact O-CB 3.18Å; S107-Q111 PolarHBondContact O-N 2.86Å |
| 108 | R | 90.4 | Very high | 84.4 | Confident | 161 Ų | 161 | 91.2 Ų | 91.2 | 61% | 0.608 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64.8 | -43.2 | 173.5 | -72.7 | 165.8 | -172.5 | 160 | 1.6 | 111.5 | K104 A105 A106 Q111 Q112 | K104-R108 WeakPolarHBondContact O-CB 3.24Å; K104-R108 VanDerWaalsContact O-CG 3.22Å; K104-R108 WeakPolarHBondContact O-CG 3.41Å; K104-R108 PolarHBondContact O-N 2.82Å; A105-R108 PolarHBondContact O-N 2.77Å; A106-R108 PolarHBondContact O-N 3.41Å; R108-Q111 PolarHBondContact O-N 3.3Å; R108-Q112 WeakPolarHBondContact O-CB 3.4Å; R108-Q112 VanDerWaalsContact O-CG 3.27Å; R108-Q112 WeakPolarHBondContact O-CG 3.5Å; R108-Q112 PolarHBondContact O-N 2.9Å |
| 109 | Q | 89.4 | Confident | 85.4 | Confident | 92 Ų | 92 | 92.2 Ų | 92.2 | 43% | 0.43 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 177.3 | -174.9 | -178.5 | 10.1 | 0 | 0 | 111.3 | A105 A106 Q112 M113 | A105-Q109 PolarHBondContact O-N 2.97Å; A106-Q109 PolarHBondContact O-N 3.48Å; Q109-Q112 PolarHBondContact O-N 3.1Å; Q109-M113 WeakPolarHBondContact O-CG 3.34Å; Q109-M113 PolarHBondContact O-N 2.91Å |
| 110 | V | 91 | Very high | 86.6 | Confident | 74 Ų | 74 | 84.8 Ų | 84.8 | 45% | 0.448 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.3 | -40.5 | 176.4 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | A106 M113 F114 | A106-V110 WeakPolarHBondContact O-CG2 3.45Å; A106-V110 PolarHBondContact O-N 3.47Å; V110-M113 PolarHBondContact O-N 2.85Å; V110-F114 HydrophobicContact CG1-CD2 3.91Å; V110-F114 HydrophobicContact CG1-CE2 3.52Å; V110-F114 VanDerWaalsContact O-CD2 3.22Å; V110-F114 WeakPolarHBondContact O-CD2 3.5Å; V110-F114 PolarHBondContact O-N 3.49Å; V110-F114 VanDerWaalsContact O-N 3.09Å |
| 111 | Q | 89.8 | Confident | 86.7 | Confident | 106 Ų | 106 | 81.2 Ų | 81.2 | 50% | 0.495 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.6 | -44.6 | 173.5 | -172.8 | 62.5 | 56.9 | 0 | 0 | 111.5 | S107 R108 M113 F114 D115 | S107-Q111 WeakPolarHBondContact O-CB 3.18Å; S107-Q111 PolarHBondContact O-N 2.86Å; R108-Q111 PolarHBondContact O-N 3.3Å; Q111-M113 VanDerWaalsContact C-N 3.29Å; Q111-M113 PolarHBondContact O-N 3.41Å; Q111-F114 PolarHBondContact O-N 2.88Å; Q111-F114 VanDerWaalsContact O-N 3.14Å; Q111-D115 PolarHBondContact NE2-OD1 2.91Å; Q111-D115 WeakPolarHBondContact O-CB 3.41Å; Q111-D115 PolarHBondContact O-N 3.28Å |
| 112 | Q | 88.1 | Confident | 86.4 | Confident | 100 Ų | 100 | 76.6 Ų | 76.6 | 47% | 0.467 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.1 | -37.8 | 176.2 | -73.9 | 169 | -23.1 | 0 | 0 | 112.2 | R108 Q109 D115 E116 I131 | R108-Q112 WeakPolarHBondContact O-CB 3.4Å; R108-Q112 VanDerWaalsContact O-CG 3.27Å; R108-Q112 WeakPolarHBondContact O-CG 3.5Å; R108-Q112 PolarHBondContact O-N 2.9Å; Q109-Q112 PolarHBondContact O-N 3.1Å; Q112-D115 PolarHBondContact O-N 3.43Å; Q112-E116 VanDerWaalsContact O-CB 3.3Å; Q112-E116 WeakPolarHBondContact O-CB 3.4Å; Q112-E116 PolarHBondContact O-N 3.35Å; Q112-I131 HydrophobicContact CB-CD1 3.72Å; Q112-I131 HydrophobicContact CG-CD1 4.43Å |
| 113 | M | 87.1 | Confident | 85.6 | Confident | 57 Ų | 57 | 75.9 Ų | 75.9 | 28% | 0.281 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 173.8 | -71.8 | 171.3 | 57.4 | 0 | 0 | 112.4 | Q109 V110 Q111 E116 I117 L132 | Q109-M113 WeakPolarHBondContact O-CG 3.34Å; Q109-M113 PolarHBondContact O-N 2.91Å; V110-M113 PolarHBondContact O-N 2.85Å; Q111-M113 VanDerWaalsContact C-N 3.29Å; Q111-M113 PolarHBondContact O-N 3.41Å; M113-E116 PolarHBondContact O-N 2.95Å; M113-I117 VanDerWaalsContact O-CG1 3.28Å; M113-I117 WeakPolarHBondContact O-CG1 3.26Å; M113-I117 PolarHBondContact O-N 3.46Å; M113-L132 HydrophobicContact CE-CD1 3.63Å; M113-L132 HydrophobicContact CG-CD1 4.15Å; M113-L132 HydrophobicContact SD-CD1 3.88Å |
| 114 | F | 87.3 | Confident | 84.2 | Confident | 116 Ų | 116 | 73.5 Ų | 73.5 | 51% | 0.509 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.1 | -43.8 | 173.4 | -73 | -58.2 | 0 | 0 | 0 | 111.9 | V110 Q111 E116 I117 D118 | V110-F114 HydrophobicContact CG1-CD2 3.91Å; V110-F114 HydrophobicContact CG1-CE2 3.52Å; V110-F114 VanDerWaalsContact O-CD2 3.22Å; V110-F114 WeakPolarHBondContact O-CD2 3.5Å; V110-F114 PolarHBondContact O-N 3.49Å; V110-F114 VanDerWaalsContact O-N 3.09Å; Q111-F114 PolarHBondContact O-N 2.88Å; Q111-F114 VanDerWaalsContact O-N 3.14Å; F114-E116 PolarHBondContact O-N 3.27Å; F114-I117 HydrophobicContact CD1-CD1 4.32Å; F114-I117 PolarHBondContact O-N 2.92Å; F114-D118 PolarHBondContact O-N 3.22Å |
| 115 | D | 84.9 | Confident | 82.9 | Confident | 67 Ų | 67 | 78.3 Ų | 78.3 | 36% | 0.358 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.5 | -24.5 | 175.1 | -63.4 | -4.8 | 0 | 0 | 0 | 112.2 | Q111 Q112 K119 | Q111-D115 PolarHBondContact NE2-OD1 2.91Å; Q111-D115 WeakPolarHBondContact O-CB 3.41Å; Q111-D115 PolarHBondContact O-N 3.28Å; Q112-D115 PolarHBondContact O-N 3.43Å; D115-K119 VanDerWaalsContact O-CG 3.25Å; D115-K119 WeakPolarHBondContact O-CG 3.42Å; D115-K119 PolarHBondContact O-NZ 2.79Å |
| 116 | E | 85.6 | Confident | 81.6 | Confident | 25 Ų | 25 | 77.9 Ų | 77.9 | 12% | 0.117 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -82.9 | -45.9 | 176.1 | -171.2 | 170.5 | 130.8 | 0 | 0 | 111.5 | Q112 M113 F114 D118 K119 E120 G130 I131 L135 | Q112-E116 VanDerWaalsContact O-CB 3.3Å; Q112-E116 WeakPolarHBondContact O-CB 3.4Å; Q112-E116 PolarHBondContact O-N 3.35Å; M113-E116 PolarHBondContact O-N 2.95Å; F114-E116 PolarHBondContact O-N 3.27Å; E116-D118 VanDerWaalsContact C-N 3.31Å; E116-D118 PolarHBondContact O-N 2.87Å; E116-K119 PolarHBondContact O-N 2.77Å; E116-E120 PolarHBondContact O-N 3.15Å; E116-G130 VanDerWaalsContact CD-CA 3.42Å; E116-G130 WeakPolarHBondContact OE1-CA 3.4Å; E116-G130 WeakPolarHBondContact OE2-CA 3.46Å; E116-I131 PolarHBondContact OE1-N 2.91Å; E116-I131 VanDerWaalsContact OE1-N 3.11Å; E116-I131 PolarHBondContact OE2-N 3.26Å; E116-L135 HydrophobicContact CB-CD2 4.37Å; E116-L135 HydrophobicContact CG-CD2 4.17Å |
| 117 | I | 84.9 | Confident | 79.7 | Confident | 26 Ų | 26 | 80.7 Ų | 80.7 | 13% | 0.133 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -53.7 | -48.2 | 172.1 | -71.2 | 164 | 0 | 0 | 0 | 110.7 | M113 F114 K119 E120 L121 L135 W142 | M113-I117 VanDerWaalsContact O-CG1 3.28Å; M113-I117 WeakPolarHBondContact O-CG1 3.26Å; M113-I117 PolarHBondContact O-N 3.46Å; F114-I117 HydrophobicContact CD1-CD1 4.32Å; F114-I117 PolarHBondContact O-N 2.92Å; I117-K119 VanDerWaalsContact C-N 3.3Å; I117-K119 PolarHBondContact O-N 2.85Å; I117-E120 PolarHBondContact O-N 3.38Å; I117-L121 HydrophobicContact CG2-CD1 3.56Å; I117-L121 HydrophobicContact CG2-CG 4.16Å; I117-L121 WeakPolarHBondContact O-CB 3.23Å; I117-L121 VanDerWaalsContact O-CG 3.31Å; I117-L121 WeakPolarHBondContact O-CG 3.3Å; I117-L121 PolarHBondContact O-N 3.01Å; I117-L135 HydrophobicContact CD1-CD1 4.19Å; I117-L135 HydrophobicContact CG1-CD1 3.83Å; I117-L135 HydrophobicContact CG1-CD2 4.06Å; I117-L135 HydrophobicContact CG1-CG 4.21Å; I117-W142 HydrophobicContact CG2-CZ3 4.39Å |
| 118 | D | 82.9 | Confident | 77.9 | Confident | 79 Ų | 79 | 80.4 Ų | 80.4 | 42% | 0.422 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.7 | -34.2 | -178.1 | -77.4 | -5.2 | 0 | 0 | 0 | 112 | F114 E116 Y122 | F114-D118 PolarHBondContact O-N 3.22Å; E116-D118 VanDerWaalsContact C-N 3.31Å; E116-D118 PolarHBondContact O-N 2.87Å; D118-Y122 HydrophobicContact CB-CD2 3.93Å; D118-Y122 HydrophobicContact CB-CE2 4.17Å; D118-Y122 VanDerWaalsContact O-CB 3.28Å; D118-Y122 WeakPolarHBondContact O-CB 3.43Å; D118-Y122 WeakPolarHBondContact O-CD2 3.3Å; D118-Y122 PolarHBondContact O-N 2.88Å; D118-Y122 WeakPolarHBondContact OD1-CE2 3.49Å |
| 119 | K | 80.8 | Confident | 76.3 | Confident | 95 Ų | 95 | 76.2 Ų | 76.2 | 41% | 0.413 | 43% | 0.426 | S | S | . | . | I | π-helix | trans | -70 | -45.1 | 175.8 | -71.7 | 177.8 | -165.7 | 86 | 0 | 112.3 | D115 E116 I117 E123 G124 | D115-K119 VanDerWaalsContact O-CG 3.25Å; D115-K119 WeakPolarHBondContact O-CG 3.42Å; D115-K119 PolarHBondContact O-NZ 2.79Å; E116-K119 PolarHBondContact O-N 2.77Å; I117-K119 VanDerWaalsContact C-N 3.3Å; I117-K119 PolarHBondContact O-N 2.85Å; K119-E123 WeakPolarHBondContact O-CA 3.22Å; K119-E123 WeakPolarHBondContact O-CB 3.39Å; K119-E123 PolarHBondContact O-N 2.8Å; K119-E123 VanDerWaalsContact O-N 3.09Å; K119-G124 PolarHBondContact O-N 2.8Å |
| 120 | E | 80.5 | Confident | 75 | Confident | 37 Ų | 37 | 73.5 Ų | 73.5 | 17% | 0.173 | 42% | 0.423 | C | S | . | . | I | π-helix | trans | -64.7 | -45.8 | 177.7 | -68.6 | -67.3 | 174.9 | 0 | 0 | 111.4 | E116 I117 G126 Q136 C139 | E116-E120 PolarHBondContact O-N 3.15Å; I117-E120 PolarHBondContact O-N 3.38Å; E120-G126 VanDerWaalsContact OE1-CA 3.25Å; E120-G126 WeakPolarHBondContact OE1-CA 3.2Å; E120-G126 VanDerWaalsContact OE2-CA 3.24Å; E120-G126 WeakPolarHBondContact OE2-CA 3.31Å; E120-Q136 PolarHBondContact OE1-NE2 3.37Å; E120-C139 HydrophobicContact CB-CB 3.86Å |
| 121 | L | 78.3 | Confident | 73.6 | Confident | 9 Ų | 9 | 74 Ų | 74 | 5% | 0.047 | 42% | 0.422 | C | S | . | . | I | π-helix | trans | -74.1 | -42 | -177.6 | -65.6 | -178.7 | 0 | 0 | 0 | 114 | I117 C139 W142 T143 L149 R150 | I117-L121 HydrophobicContact CG2-CD1 3.56Å; I117-L121 HydrophobicContact CG2-CG 4.16Å; I117-L121 WeakPolarHBondContact O-CB 3.23Å; I117-L121 VanDerWaalsContact O-CG 3.31Å; I117-L121 WeakPolarHBondContact O-CG 3.3Å; I117-L121 PolarHBondContact O-N 3.01Å; L121-C139 HydrophobicContact CD2-CB 3.9Å; L121-C139 HydrophobicContact CG-CB 4.41Å; L121-W142 HydrophobicContact CD1-CE3 4.3Å; L121-W142 HydrophobicContact CD2-CB 4.43Å; L121-T143 WeakPolarHBondContact CD2-OG1 3.48Å; L121-L149 HydrophobicContact CD1-CD2 3.84Å; L121-L149 HydrophobicContact CD1-CG 4.4Å; L121-L149 HydrophobicContact CD2-CD2 4.1Å; L121-R150 VanDerWaalsContact O-CD 3.25Å; L121-R150 WeakPolarHBondContact O-CD 3.44Å; L121-R150 VanDerWaalsContact O-CG 3.31Å; L121-R150 WeakPolarHBondContact O-CG 3.43Å; L121-R150 PolarHBondContact O-NE 3.31Å |
| 122 | Y | 74.9 | Confident | 72.5 | Confident | 54 Ų | 54 | 72.6 Ų | 72.6 | 21% | 0.212 | 42% | 0.417 | C | S | . | . | I | π-helix | trans | -99.2 | -55.4 | -173.8 | -56.1 | -62.3 | 0 | 0 | 0 | 112.6 | D118 G124 L149 R150 I151 V152 | D118-Y122 HydrophobicContact CB-CD2 3.93Å; D118-Y122 HydrophobicContact CB-CE2 4.17Å; D118-Y122 VanDerWaalsContact O-CB 3.28Å; D118-Y122 WeakPolarHBondContact O-CB 3.43Å; D118-Y122 WeakPolarHBondContact O-CD2 3.3Å; D118-Y122 PolarHBondContact O-N 2.88Å; D118-Y122 WeakPolarHBondContact OD1-CE2 3.49Å; Y122-G124 VanDerWaalsContact C-N 3.33Å; Y122-G124 PolarHBondContact O-N 3.33Å; Y122-L149 WeakPolarHBondContact CE1-O 3.41Å; Y122-R150 HydrophobicContact CD1-CG 4.38Å; Y122-R150 PolarHBondContact O-NE 3.37Å; Y122-R150 VanDerWaalsContact O-NE 3.11Å; Y122-R150 PolarHBondContact O-NH2 2.92Å; Y122-I151 HydrophobicContact CE1-CB 4.49Å; Y122-V152 HydrophobicContact CD1-CB 3.96Å; Y122-V152 HydrophobicContact CD1-CG2 4.33Å; Y122-V152 HydrophobicContact CE1-CG2 4.5Å; Y122-V152 HydrophobicContact CG-CB 4.17Å |
| 123 | E | 70.8 | Confident | 71.5 | Confident | 141 Ų | 141 | 76.9 Ų | 76.9 | 66% | 0.659 | 44% | 0.437 | S | S | * | . | I | π-helix | trans | -71.4 | -28.3 | -175.7 | -56.9 | -170.1 | 168.7 | 0 | 0 | 112.4 | K119 R125 | K119-E123 WeakPolarHBondContact O-CA 3.22Å; K119-E123 WeakPolarHBondContact O-CB 3.39Å; K119-E123 PolarHBondContact O-N 2.8Å; K119-E123 VanDerWaalsContact O-N 3.09Å; E123-R125 PolarHBondContact O-N 3.19Å |
| 124 | G | 61.2 | Low | 70.8 | Confident | 53 Ų | 53 | 76.4 Ų | 76.4 | 55% | 0.546 | 45% | 0.448 | S | S | . | . | | | trans | 66.1 | 17.6 | 173 | 0 | 0 | 0 | 0 | 0 | 114 | K119 Y122 | K119-G124 PolarHBondContact O-N 2.8Å; Y122-G124 VanDerWaalsContact C-N 3.33Å; Y122-G124 PolarHBondContact O-N 3.33Å |
| 125 | R | 62.7 | Low | 70.5 | Confident | 194 Ų | 194 | 71.7 Ų | 71.7 | 73% | 0.732 | 43% | 0.427 | S | S | * | . | | | trans | -109.8 | 82.3 | 173 | 179.2 | 176.8 | -80.4 | -87 | -0.8 | 108.1 | E123 C127 | E123-R125 PolarHBondContact O-N 3.19Å; R125-C127 PolarHBondContact O-N 3.03Å |
| 126 | G | 58.8 | Low | 70.3 | Confident | 39 Ų | 39 | 72 Ų | 72 | 40% | 0.402 | 43% | 0.427 | S | S | . | . | | | trans | -66 | 80.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E120 G128 | E120-G126 VanDerWaalsContact OE1-CA 3.25Å; E120-G126 WeakPolarHBondContact OE1-CA 3.2Å; E120-G126 VanDerWaalsContact OE2-CA 3.24Å; E120-G126 WeakPolarHBondContact OE2-CA 3.31Å; G126-G128 VanDerWaalsContact C-N 3.29Å; G126-G128 PolarHBondContact O-N 3.27Å |
| 127 | C | 50.3 | Low | 70.2 | Confident | 94 Ų | 94 | 76 Ų | 76 | 64% | 0.635 | 45% | 0.449 | S | S | * | . | | | trans | -69 | 91.9 | 164.8 | -81.2 | 0 | 0 | 0 | 0 | 107.4 | R125 G129 | R125-C127 PolarHBondContact O-N 3.03Å; C127-G129 PolarHBondContact O-N 3.45Å |
| 128 | G | 55.4 | Low | 70.3 | Confident | 69 Ų | 69 | 79.1 Ų | 79.1 | 71% | 0.711 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -63.8 | 58.4 | -172 | 0 | 0 | 0 | 0 | 0 | 116.2 | G126 | G126-G128 VanDerWaalsContact C-N 3.29Å; G126-G128 PolarHBondContact O-N 3.27Å |
| 129 | G | 57.9 | Low | 70.3 | Confident | 73 Ų | 73 | 75.5 Ų | 75.5 | 75% | 0.753 | 44% | 0.444 | S | S | * | . | | | trans | -138.3 | 35.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | C127 | C127-G129 PolarHBondContact O-N 3.45Š|
| 130 | G | 60.9 | Low | 70.3 | Confident | 35 Ų | 35 | 76.6 Ų | 76.6 | 36% | 0.361 | 45% | 0.45 | S | S | . | . | | | trans | -65.5 | 158.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E116 L132 | E116-G130 VanDerWaalsContact CD-CA 3.42Å; E116-G130 WeakPolarHBondContact OE1-CA 3.4Å; E116-G130 WeakPolarHBondContact OE2-CA 3.46Å; G130-L132 PolarHBondContact O-N 3.27Å |
| 131 | I | 61.6 | Low | 70.5 | Confident | 86 Ų | 86 | 79.2 Ų | 79.2 | 44% | 0.441 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -68.7 | -26.5 | -174.9 | -61.4 | 174.5 | 0 | 0 | 0 | 111.1 | Q112 E116 | Q112-I131 HydrophobicContact CB-CD1 3.72Å; Q112-I131 HydrophobicContact CG-CD1 4.43Å; E116-I131 PolarHBondContact OE1-N 2.91Å; E116-I131 VanDerWaalsContact OE1-N 3.11Å; E116-I131 PolarHBondContact OE2-N 3.26Å |
| 132 | L | 66.9 | Low | 70.9 | Confident | 75 Ų | 75 | 82.8 Ų | 82.8 | 39% | 0.393 | 48% | 0.475 | S | S | . | . | | | trans | -128.4 | 107.6 | -177.5 | -68.3 | 174 | 0 | 0 | 0 | 111.3 | M113 G130 G134 L135 | M113-L132 HydrophobicContact CE-CD1 3.63Å; M113-L132 HydrophobicContact CG-CD1 4.15Å; M113-L132 HydrophobicContact SD-CD1 3.88Å; G130-L132 PolarHBondContact O-N 3.27Å; L132-G134 PolarHBondContact O-N 3.3Å; L132-L135 HydrophobicContact CB-CB 3.91Å; L132-L135 HydrophobicContact CB-CD2 4.49Å; L132-L135 VanDerWaalsContact O-CB 3.25Å; L132-L135 WeakPolarHBondContact O-CB 3.36Å; L132-L135 PolarHBondContact O-N 2.71Å |
| 133 | Q | 67.9 | Low | 71.1 | Confident | 190 Ų | 190 | 82.5 Ų | 82.5 | 89% | 0.888 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -24.1 | -173.9 | -165.9 | 169.9 | 17.5 | 0 | 0 | 114.9 | | |
| 134 | G | 72.4 | Confident | 71.5 | Confident | 48 Ų | 48 | 80.1 Ų | 80.1 | 50% | 0.495 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -10.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | L132 D137 E138 | L132-G134 PolarHBondContact O-N 3.3Å; G134-D137 PolarHBondContact O-N 2.72Å; G134-E138 PolarHBondContact O-N 3.07Å; G134-E138 VanDerWaalsContact O-N 3.11Å |
| 135 | L | 80.6 | Confident | 72.5 | Confident | 16 Ų | 16 | 85.3 Ų | 85.3 | 8% | 0.084 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -70.7 | -34.9 | -176.2 | -173.6 | 59 | 0 | 0 | 0 | 111.8 | E116 I117 L132 E138 C139 | E116-L135 HydrophobicContact CB-CD2 4.37Å; E116-L135 HydrophobicContact CG-CD2 4.17Å; I117-L135 HydrophobicContact CD1-CD1 4.19Å; I117-L135 HydrophobicContact CG1-CD1 3.83Å; I117-L135 HydrophobicContact CG1-CD2 4.06Å; I117-L135 HydrophobicContact CG1-CG 4.21Å; L132-L135 HydrophobicContact CB-CB 3.91Å; L132-L135 HydrophobicContact CB-CD2 4.49Å; L132-L135 VanDerWaalsContact O-CB 3.25Å; L132-L135 WeakPolarHBondContact O-CB 3.36Å; L132-L135 PolarHBondContact O-N 2.71Å; L135-E138 PolarHBondContact O-N 2.87Å; L135-C139 WeakPolarHBondContact O-CB 3.01Å; L135-C139 PolarHBondContact O-N 3.45Å; L135-C139 PolarHBondContact O-SG 3.13Å |
| 136 | Q | 80.8 | Confident | 73.2 | Confident | 74 Ų | 74 | 80.5 Ų | 80.5 | 35% | 0.346 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 174.2 | -175 | 169.1 | 80.4 | 0 | 0 | 111.6 | E120 E138 C139 Q140 | E120-Q136 PolarHBondContact OE1-NE2 3.37Å; Q136-E138 VanDerWaalsContact C-N 3.33Å; Q136-E138 PolarHBondContact O-N 3.01Å; Q136-C139 PolarHBondContact O-N 3.41Å; Q136-Q140 WeakPolarHBondContact O-CB 3.38Å; Q136-Q140 PolarHBondContact O-N 2.84Å |
| 137 | D | 83.4 | Confident | 73.8 | Confident | 109 Ų | 109 | 83.3 Ų | 83.3 | 58% | 0.583 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.6 | -36.6 | 175.5 | -76.2 | -26.1 | 0 | 0 | 0 | 112.4 | G134 Q141 | G134-D137 PolarHBondContact O-N 2.72Å; D137-Q141 WeakPolarHBondContact O-CG 3.33Å; D137-Q141 PolarHBondContact O-N 3.3Å; D137-Q141 PolarHBondContact O-NE2 3.06Å |
| 138 | E | 87.1 | Confident | 74.7 | Confident | 92 Ų | 92 | 85.6 Ų | 85.6 | 43% | 0.43 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -71.2 | -45 | 175 | -179.3 | 155.9 | -142.7 | 0 | 0 | 111.9 | G134 L135 Q136 Q140 Q141 W142 | G134-E138 PolarHBondContact O-N 3.07Å; G134-E138 VanDerWaalsContact O-N 3.11Å; L135-E138 PolarHBondContact O-N 2.87Å; Q136-E138 VanDerWaalsContact C-N 3.33Å; Q136-E138 PolarHBondContact O-N 3.01Å; E138-Q140 VanDerWaalsContact C-N 3.29Å; E138-Q140 PolarHBondContact O-N 2.86Å; E138-Q141 CarbonylContact O-C 3.58Å; E138-Q141 WeakPolarHBondContact O-CB 3.4Å; E138-Q141 PolarHBondContact O-N 3.13Å; E138-Q141 VanDerWaalsContact O-N 3.1Å; E138-W142 VanDerWaalsContact CD-CZ2 3.41Å; E138-W142 HydrophobicContact CG-CD2 4.08Å; E138-W142 HydrophobicContact CG-CG 4.46Å; E138-W142 HydrophobicContact CG-CH2 4.32Å; E138-W142 HydrophobicContact CG-CZ2 3.54Å; E138-W142 VanDerWaalsContact CG-NE1 3.3Å; E138-W142 PolarHBondContact O-N 3.03Å; E138-W142 WeakPolarHBondContact OE1-CZ2 3.41Å; E138-W142 PolarHBondContact OE1-NE1 3.41Å |
| 139 | C | 83.5 | Confident | 75.4 | Confident | 2 Ų | 2 | 84.9 Ų | 84.9 | 1% | 0.014 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -61.7 | -35.6 | 175.2 | -68.8 | 0 | 0 | 0 | 0 | 112.2 | E120 L121 L135 Q136 W142 T143 | E120-C139 HydrophobicContact CB-CB 3.86Å; L121-C139 HydrophobicContact CD2-CB 3.9Å; L121-C139 HydrophobicContact CG-CB 4.41Å; L135-C139 WeakPolarHBondContact O-CB 3.01Å; L135-C139 PolarHBondContact O-N 3.45Å; L135-C139 PolarHBondContact O-SG 3.13Å; Q136-C139 PolarHBondContact O-N 3.41Å; C139-W142 PolarHBondContact O-N 3.13Å; C139-T143 WeakPolarHBondContact O-CB 3.4Å; C139-T143 PolarHBondContact O-N 3.12Å; C139-T143 PolarHBondContact O-OG1 3.12Å |
| 140 | Q | 80.5 | Confident | 75.7 | Confident | 118 Ų | 118 | 84.7 Ų | 84.7 | 55% | 0.551 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -68.5 | -38.3 | 173.6 | -177.1 | 62.1 | 7.6 | 0 | 0 | 112 | Q136 E138 T144 | Q136-Q140 WeakPolarHBondContact O-CB 3.38Å; Q136-Q140 PolarHBondContact O-N 2.84Å; E138-Q140 VanDerWaalsContact C-N 3.29Å; E138-Q140 PolarHBondContact O-N 2.86Å; Q140-T144 WeakPolarHBondContact O-CB 3.09Å; Q140-T144 WeakPolarHBondContact O-CG2 3.17Å; Q140-T144 PolarHBondContact O-N 2.99Å; Q140-T144 PolarHBondContact O-OG1 2.75Å |
| 141 | Q | 85.8 | Confident | 75.6 | Confident | 93 Ų | 93 | 89.7 Ų | 89.7 | 44% | 0.435 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.8 | -36.4 | 171.6 | -79.8 | -177.5 | 77.1 | 0 | 0 | 113 | D137 E138 T144 R145 | D137-Q141 WeakPolarHBondContact O-CG 3.33Å; D137-Q141 PolarHBondContact O-N 3.3Å; D137-Q141 PolarHBondContact O-NE2 3.06Å; E138-Q141 CarbonylContact O-C 3.58Å; E138-Q141 WeakPolarHBondContact O-CB 3.4Å; E138-Q141 PolarHBondContact O-N 3.13Å; E138-Q141 VanDerWaalsContact O-N 3.1Å; Q141-T144 WeakPolarHBondContact CA-OG1 3.27Å; Q141-T144 PolarHBondContact O-OG1 3.45Å; Q141-R145 WeakPolarHBondContact O-CB 3.36Å; Q141-R145 WeakPolarHBondContact O-CG 3.37Å; Q141-R145 PolarHBondContact O-N 3.45Å |
| 142 | W | 86.2 | Confident | 75.3 | Confident | 83 Ų | 83 | 90.7 Ų | 90.7 | 31% | 0.314 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -69.5 | -44 | 175.2 | -65.9 | -2.8 | 0 | 0 | 0 | 111.1 | I117 L121 E138 C139 T144 R145 F146 L149 | I117-W142 HydrophobicContact CG2-CZ3 4.39Å; L121-W142 HydrophobicContact CD1-CE3 4.3Å; L121-W142 HydrophobicContact CD2-CB 4.43Å; E138-W142 VanDerWaalsContact CD-CZ2 3.41Å; E138-W142 HydrophobicContact CG-CD2 4.08Å; E138-W142 HydrophobicContact CG-CG 4.46Å; E138-W142 HydrophobicContact CG-CH2 4.32Å; E138-W142 HydrophobicContact CG-CZ2 3.54Å; E138-W142 VanDerWaalsContact CG-NE1 3.3Å; E138-W142 PolarHBondContact O-N 3.03Å; E138-W142 WeakPolarHBondContact OE1-CZ2 3.41Å; E138-W142 PolarHBondContact OE1-NE1 3.41Å; C139-W142 PolarHBondContact O-N 3.13Å; W142-T144 VanDerWaalsContact C-N 3.3Å; W142-T144 PolarHBondContact O-N 3.46Å; W142-R145 PolarHBondContact O-N 2.85Å; W142-F146 HydrophobicContact CB-CD2 4.49Å; W142-F146 WeakPolarHBondContact O-CA 3.44Å; W142-F146 WeakPolarHBondContact O-CB 3.32Å; W142-F146 PolarHBondContact O-N 3.29Å; W142-L149 HydrophobicContact CB-CD2 3.99Å |
| 143 | T | 78.8 | Confident | 74.8 | Confident | 48 Ų | 48 | 88.6 Ų | 88.6 | 29% | 0.294 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.8 | -39 | 176.6 | -60.4 | 0 | 0 | 0 | 0 | 112 | L121 C139 | L121-T143 WeakPolarHBondContact CD2-OG1 3.48Å; C139-T143 WeakPolarHBondContact O-CB 3.4Å; C139-T143 PolarHBondContact O-N 3.12Å; C139-T143 PolarHBondContact O-OG1 3.12Å |
| 144 | T | 79.1 | Confident | 74.2 | Confident | 92 Ų | 92 | 84.7 Ų | 84.7 | 56% | 0.564 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -78.8 | -33.2 | 178.2 | 49.4 | 0 | 0 | 0 | 0 | 114 | Q140 Q141 W142 | Q140-T144 WeakPolarHBondContact O-CB 3.09Å; Q140-T144 WeakPolarHBondContact O-CG2 3.17Å; Q140-T144 PolarHBondContact O-N 2.99Å; Q140-T144 PolarHBondContact O-OG1 2.75Å; Q141-T144 WeakPolarHBondContact CA-OG1 3.27Å; Q141-T144 PolarHBondContact O-OG1 3.45Å; W142-T144 VanDerWaalsContact C-N 3.3Å; W142-T144 PolarHBondContact O-N 3.46Å |
| 145 | R | 82.3 | Confident | 73.4 | Confident | 161 Ų | 161 | 87.2 Ų | 87.2 | 61% | 0.608 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -81.7 | -29.7 | 175.6 | -74.6 | -171.9 | 174.7 | 106.6 | -0.8 | 114.1 | Q141 W142 | Q141-R145 WeakPolarHBondContact O-CB 3.36Å; Q141-R145 WeakPolarHBondContact O-CG 3.37Å; Q141-R145 PolarHBondContact O-N 3.45Å; W142-R145 PolarHBondContact O-N 2.85Å |
| 146 | F | 78 | Confident | 72.3 | Confident | 94 Ų | 94 | 93.4 Ų | 93.4 | 41% | 0.412 | 48% | 0.475 | S | S | . | . | | | trans | -128.6 | 73.3 | -173.4 | -53.3 | -72.4 | 0 | 0 | 0 | 111.5 | W142 H148 L149 | W142-F146 HydrophobicContact CB-CD2 4.49Å; W142-F146 WeakPolarHBondContact O-CA 3.44Å; W142-F146 WeakPolarHBondContact O-CB 3.32Å; W142-F146 PolarHBondContact O-N 3.29Å; F146-H148 AromaticContact CD1-CE1 3.9Å; F146-H148 AromaticContact CD1-NE2 3.93Å; F146-H148 PolarHBondContact O-N 3.02Å; F146-L149 HydrophobicContact CB-CB 4.09Å; F146-L149 WeakPolarHBondContact O-CB 3.44Å; F146-L149 PolarHBondContact O-N 2.82Å |
| 147 | P | 70.3 | Confident | 71.1 | Confident | 97 Ų | 97 | 96.7 Ų | 96.7 | 63% | 0.63 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -16.9 | -179 | -26.1 | 35.6 | 0 | 0 | 0 | 115.2 | | |
| 148 | H | 70.3 | Confident | 69.7 | Low | 142 Ų | 142 | 96.5 Ų | 96.5 | 66% | 0.657 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -9 | 176 | 54.6 | -100.2 | 0 | 0 | 0 | 114 | F146 R150 | F146-H148 AromaticContact CD1-CE1 3.9Å; F146-H148 AromaticContact CD1-NE2 3.93Å; F146-H148 PolarHBondContact O-N 3.02Å; H148-R150 PolarHBondContact O-N 3.36Å |
| 149 | L | 69.8 | Low | 68.5 | Low | 55 Ų | 55 | 94.1 Ų | 94.1 | 29% | 0.288 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -66.8 | -29 | 179.4 | -166 | 67.3 | 0 | 0 | 0 | 111.5 | L121 Y122 W142 F146 I151 | L121-L149 HydrophobicContact CD1-CD2 3.84Å; L121-L149 HydrophobicContact CD1-CG 4.4Å; L121-L149 HydrophobicContact CD2-CD2 4.1Å; Y122-L149 WeakPolarHBondContact CE1-O 3.41Å; W142-L149 HydrophobicContact CB-CD2 3.99Å; F146-L149 HydrophobicContact CB-CB 4.09Å; F146-L149 WeakPolarHBondContact O-CB 3.44Å; F146-L149 PolarHBondContact O-N 2.82Å; L149-I151 VanDerWaalsContact C-N 3.28Å; L149-I151 PolarHBondContact O-N 2.92Å |
| 150 | R | 64.4 | Low | 67.3 | Low | 68 Ų | 68 | 100.6 Ų | 100.6 | 26% | 0.257 | 53% | 0.532 | S | S | . | . | | | trans | -80.4 | 65.6 | -177.4 | -168.2 | 166.9 | -172.5 | -120.1 | 0.8 | 112.7 | L121 Y122 H148 V152 T154 | L121-R150 VanDerWaalsContact O-CD 3.25Å; L121-R150 WeakPolarHBondContact O-CD 3.44Å; L121-R150 VanDerWaalsContact O-CG 3.31Å; L121-R150 WeakPolarHBondContact O-CG 3.43Å; L121-R150 PolarHBondContact O-NE 3.31Å; Y122-R150 HydrophobicContact CD1-CG 4.38Å; Y122-R150 PolarHBondContact O-NE 3.37Å; Y122-R150 VanDerWaalsContact O-NE 3.11Å; Y122-R150 PolarHBondContact O-NH2 2.92Å; H148-R150 PolarHBondContact O-N 3.36Å; R150-V152 VanDerWaalsContact C-N 3.3Å; R150-V152 PolarHBondContact O-N 3.38Å; R150-T154 PolarHBondContact NH1-O 3.23Å; R150-T154 PolarHBondContact NH1-OG1 2.94Å |
| 151 | I | 57.4 | Low | 66.6 | Low | 140 Ų | 140 | 100.4 Ų | 100.4 | 72% | 0.718 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -30.2 | -179.7 | -61.7 | 174.5 | 0 | 0 | 0 | 112.5 | Y122 L149 | Y122-I151 HydrophobicContact CE1-CB 4.49Å; L149-I151 VanDerWaalsContact C-N 3.28Å; L149-I151 PolarHBondContact O-N 2.92Å |
| 152 | V | 55 | Low | 65.3 | Low | 108 Ų | 108 | 106 Ų | 106 | 66% | 0.655 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.4 | 49.4 | -178.2 | -160.3 | 0 | 0 | 0 | 0 | 111.7 | Y122 R150 | Y122-V152 HydrophobicContact CD1-CB 3.96Å; Y122-V152 HydrophobicContact CD1-CG2 4.33Å; Y122-V152 HydrophobicContact CE1-CG2 4.5Å; Y122-V152 HydrophobicContact CG-CB 4.17Å; R150-V152 VanDerWaalsContact C-N 3.3Å; R150-V152 PolarHBondContact O-N 3.38Å |
| 153 | G | 57 | Low | 63.6 | Low | 31 Ų | 31 | 105.6 Ų | 105.6 | 32% | 0.32 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -139.7 | 174.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q155 | G153-Q155 PolarHBondContact O-N 3.4Å; G153-Q155 VanDerWaalsContact O-N 3.13Å |
| 154 | T | 56.3 | Low | 62.4 | Low | 107 Ų | 107 | 110 Ų | 110 | 66% | 0.656 | 60% | 0.599 | S | S | * | * | | | trans | -58.9 | 115.5 | 173.5 | 40.9 | 0 | 0 | 0 | 0 | 110.5 | R150 L156 | R150-T154 PolarHBondContact NH1-O 3.23Å; R150-T154 PolarHBondContact NH1-OG1 2.94Å; T154-L156 PolarHBondContact O-N 3.41Å |
| 155 | Q | 55.8 | Low | 61.2 | Low | 102 Ų | 102 | 112.2 Ų | 112.2 | 48% | 0.477 | 60% | 0.602 | S | S | . | * | | | trans | -64 | 118.9 | -177.9 | 178.2 | 179.7 | 69.3 | 0 | 0 | 110.8 | G153 L157 | G153-Q155 PolarHBondContact O-N 3.4Å; G153-Q155 VanDerWaalsContact O-N 3.13Å; Q155-L157 WeakPolarHBondContact CG-O 3.48Å; Q155-L157 PolarHBondContact NE2-O 2.9Å |
| 156 | L | 56.9 | Low | 59.6 | Low | 145 Ų | 145 | 113.1 Ų | 113.1 | 76% | 0.759 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -84 | -19.6 | -177.7 | -57.6 | 179.3 | 0 | 0 | 0 | 113.6 | T154 | T154-L156 PolarHBondContact O-N 3.41Š|
| 157 | L | 54.4 | Low | 58 | Low | 144 Ų | 144 | 116.7 Ų | 116.7 | 75% | 0.754 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -136 | 123.5 | 179.7 | -65.5 | 173.8 | 0 | 0 | 0 | 109.4 | Q155 | Q155-L157 WeakPolarHBondContact CG-O 3.48Å; Q155-L157 PolarHBondContact NE2-O 2.9Å |
| 158 | C | 54.9 | Low | 56.5 | Low | 104 Ų | 104 | 116.7 Ų | 116.7 | 70% | 0.703 | 63% | 0.626 | S | S | * | * | | | trans | -60.3 | 146.7 | 174.5 | -66.7 | 0 | 0 | 0 | 0 | 110.7 | T160 | C158-T160 PolarHBondContact O-N 2.95Š|
| 159 | P | 62.6 | Low | 54.9 | Low | 43 Ų | 43 | 115.9 Ų | 115.9 | 28% | 0.279 | 63% | 0.631 | S | S | . | * | | | trans | -68.9 | 120.7 | 173.8 | -7.6 | 24.2 | 0 | 0 | 0 | 109 | D161 F164 W166 | P159-D161 VanDerWaalsContact C-N 3.32Å; P159-F164 HydrophobicContact CB-CB 4.13Å; P159-F164 HydrophobicContact CB-CD2 3.93Å; P159-F164 HydrophobicContact CB-CG 4.06Å; P159-F164 HydrophobicContact CG-CB 4.31Å; P159-F164 HydrophobicContact CG-CG 4.45Å; P159-W166 HydrophobicContact CG-CZ2 3.94Å |
| 160 | T | 58.1 | Low | 53.6 | Low | 138 Ų | 138 | 118.9 Ų | 118.9 | 85% | 0.847 | 65% | 0.654 | S | S | * | * | | | trans | -86 | -7.6 | 176.8 | -37.5 | 0 | 0 | 0 | 0 | 112.3 | C158 | C158-T160 PolarHBondContact O-N 2.95Š|
| 161 | D | 65.8 | Low | 52.3 | Low | 114 Ų | 114 | 118.5 Ų | 118.5 | 61% | 0.61 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -79.8 | 134.4 | -172.8 | -59.6 | -35.6 | 0 | 0 | 0 | 112.6 | P159 G163 F164 | P159-D161 VanDerWaalsContact C-N 3.32Å; D161-G163 PolarHBondContact O-N 3.18Å; D161-F164 HydrophobicContact CB-CD2 3.94Å; D161-F164 HydrophobicContact CB-CE2 3.84Å |
| 162 | E | 56.9 | Low | 51.3 | Low | 209 Ų | 209 | 118.3 Ų | 118.3 | 98% | 0.977 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | 98.2 | 175.6 | -66.5 | -170.8 | 170.1 | 0 | 0 | 111.1 | | |
| 163 | G | 52.5 | Low | 50.2 | Low | 76 Ų | 76 | 118.8 Ų | 118.8 | 78% | 0.784 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 159.1 | -19.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115 | D161 | D161-G163 PolarHBondContact O-N 3.18Š|
| 164 | F | 51.9 | Low | 48.9 | Very low | 141 Ų | 141 | 122.5 Ų | 122.5 | 62% | 0.618 | 70% | 0.701 | S | S | * | * | | | trans | -86.6 | 123.1 | -179.2 | -66.2 | -84.4 | 0 | 0 | 0 | 112.4 | P159 D161 | P159-F164 HydrophobicContact CB-CB 4.13Å; P159-F164 HydrophobicContact CB-CD2 3.93Å; P159-F164 HydrophobicContact CB-CG 4.06Å; P159-F164 HydrophobicContact CG-CB 4.31Å; P159-F164 HydrophobicContact CG-CG 4.45Å; D161-F164 HydrophobicContact CB-CD2 3.94Å; D161-F164 HydrophobicContact CB-CE2 3.84Å |
| 165 | Q | 53.7 | Low | 48 | Very low | 138 Ų | 138 | 125 Ų | 125 | 65% | 0.645 | 71% | 0.709 | S | S | * | * | | | trans | -115.2 | 124.6 | 172.6 | -176.3 | 179.6 | 6.8 | 0 | 0 | 110.3 | Y167 | Q165-Y167 HydrophobicContact CB-CE2 4.05Å; Q165-Y167 HydrophobicContact CG-CD2 4.49Å; Q165-Y167 HydrophobicContact CG-CE2 3.92Å; Q165-Y167 WeakPolarHBondContact O-CD2 3.31Å; Q165-Y167 PolarHBondContact O-N 2.87Å; Q165-Y167 PolarHBondContact OE1-OH 3.42Å |
| 166 | W | 49.3 | Very low | 47 | Very low | 179 Ų | 179 | 124.3 Ų | 124.3 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | | | trans | -76.7 | 115.9 | 175.8 | -72.7 | 97.5 | 0 | 0 | 0 | 111.6 | P159 | P159-W166 HydrophobicContact CG-CZ2 3.94Š|
| 167 | Y | 44 | Very low | 45.7 | Very low | 169 Ų | 169 | 122.8 Ų | 122.8 | 66% | 0.663 | 72% | 0.722 | S | S | * | * | | | trans | -94.9 | 105.3 | 165.8 | -69.8 | -92.1 | 0 | 0 | 0 | 108.4 | Q165 T169 | Q165-Y167 HydrophobicContact CB-CE2 4.05Å; Q165-Y167 HydrophobicContact CG-CD2 4.49Å; Q165-Y167 HydrophobicContact CG-CE2 3.92Å; Q165-Y167 WeakPolarHBondContact O-CD2 3.31Å; Q165-Y167 PolarHBondContact O-N 2.87Å; Q165-Y167 PolarHBondContact OE1-OH 3.42Å; Y167-T169 PolarHBondContact O-N 2.88Å |
| 168 | A | 39.9 | Very low | 44.5 | Very low | 98 Ų | 98 | 121.1 Ų | 121.1 | 81% | 0.81 | 72% | 0.723 | S | S | * | * | | | trans | -73.2 | 92.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | P170 | A168-P170 WeakPolarHBondContact O-CD 3.47Š|
| 169 | T | 36.7 | Very low | 43.5 | Very low | 124 Ų | 124 | 122 Ų | 122 | 76% | 0.761 | 73% | 0.727 | S | S | * | * | | | trans | -55 | 123.9 | 166.7 | -53.1 | 0 | 0 | 0 | 0 | 108.4 | Y167 G171 | Y167-T169 PolarHBondContact O-N 2.88Å; T169-G171 PolarHBondContact O-N 3.03Å |
| 170 | P | 42.3 | Very low | 42 | Very low | 119 Ų | 119 | 125.5 Ų | 125.5 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | | | trans | -64.6 | 99.7 | 176.1 | -21.4 | 34 | 0 | 0 | 0 | 109.5 | A168 T172 | A168-P170 WeakPolarHBondContact O-CD 3.47Å; P170-T172 PolarHBondContact O-N 3.07Å |
| 171 | G | 36 | Very low | 40.8 | Very low | 59 Ų | 59 | 125.5 Ų | 125.5 | 61% | 0.608 | 75% | 0.753 | S | S | * | * | | | trans | -63 | 128.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | T169 V173 | T169-G171 PolarHBondContact O-N 3.03Å; G171-V173 VanDerWaalsContact C-N 3.3Å; G171-V173 PolarHBondContact O-N 3.25Å |
| 172 | T | 36.6 | Very low | 38.9 | Very low | 137 Ų | 137 | 127.3 Ų | 127.3 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | | | trans | -63.8 | 91.9 | 173.2 | -52.4 | 0 | 0 | 0 | 0 | 109.1 | P170 S174 | P170-T172 PolarHBondContact O-N 3.07Å; T172-S174 PolarHBondContact O-N 3.42Å |
| 173 | V | 32.9 | Very low | 37.8 | Very low | 118 Ų | 118 | 128.8 Ų | 128.8 | 72% | 0.715 | 76% | 0.759 | S | S | * | * | | | trans | -68.1 | 100.8 | 177.3 | -81 | 0 | 0 | 0 | 0 | 109.8 | G171 L175 | G171-V173 VanDerWaalsContact C-N 3.3Å; G171-V173 PolarHBondContact O-N 3.25Å; V173-L175 HydrophobicContact CG2-CD1 4.45Å; V173-L175 PolarHBondContact O-N 3.13Å |
| 174 | S | 29.4 | Very low | 36.9 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | | | trans | -63.7 | 101.6 | 166.4 | -64.4 | 0 | 0 | 0 | 0 | 109.3 | T172 A176 | T172-S174 PolarHBondContact O-N 3.42Å; S174-A176 VanDerWaalsContact C-N 3.33Å; S174-A176 PolarHBondContact O-N 2.78Å |
| 175 | L | 37.1 | Very low | 35.8 | Very low | 160 Ų | 160 | 133.7 Ų | 133.7 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | | | trans | -68 | 89.5 | 173.7 | -83.2 | 94.4 | 0 | 0 | 0 | 110.1 | V173 | V173-L175 HydrophobicContact CG2-CD1 4.45Å; V173-L175 PolarHBondContact O-N 3.13Å |
| 176 | A | 35 | Very low | 34.7 | Very low | 86 Ų | 86 | 133 Ų | 133 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | | | trans | -140.4 | 36.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S174 | S174-A176 VanDerWaalsContact C-N 3.33Å; S174-A176 PolarHBondContact O-N 2.78Å |
| 177 | S | 30.7 | Very low | 33.8 | Very low | 114 Ų | 114 | 131.1 Ų | 131.1 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | | | trans | -172 | 84.6 | 162.9 | 42.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 178 | S | 29.1 | Very low | 33.1 | Very low | 109 Ų | 109 | 132.6 Ų | 132.6 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | | | trans | -112.3 | 108.7 | 162.4 | -64.1 | 0 | 0 | 0 | 0 | 109 | S180 | S178-S180 PolarHBondContact O-N 3.11Š|
| 179 | P | 33.2 | Very low | 32.6 | Very low | 123 Ų | 123 | 134.1 Ų | 134.1 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | | | trans | -70.2 | 126.5 | 178.1 | 28.2 | -32.9 | 0 | 0 | 0 | 110.2 | | |
| 180 | S | 30.4 | Very low | 32.2 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | -89.3 | 112.1 | -176.7 | 57.1 | 0 | 0 | 0 | 0 | 112.3 | S178 | S178-S180 PolarHBondContact O-N 3.11Š|
| 181 | T | 32.7 | Very low | 31.5 | Very low | 139 Ų | 139 | 135.6 Ų | 135.6 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | | | trans | -147.4 | 79.9 | 167.9 | 18.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 182 | D | 27 | Very low | 31.2 | Very low | 151 Ų | 151 | 141.8 Ų | 141.8 | 81% | 0.807 | 82% | 0.817 | S | S | * | * | | | trans | -88.8 | 109.7 | 156.4 | -179.8 | 8.9 | 0 | 0 | 0 | 109.4 | K184 | D182-K184 PolarHBondContact OD1-N 2.93Š|
| 183 | R | 34.3 | Very low | 31 | Very low | 240 Ų | 240 | 142.5 Ų | 142.5 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | | | trans | -151.6 | 77.2 | 152.3 | -140.4 | 171.6 | -179.2 | 173.9 | -0.4 | 114.1 | T185 | R183-T185 PolarHBondContact O-N 3.33Š|
| 184 | K | 33.3 | Very low | 31.1 | Very low | 178 Ų | 178 | 145.6 Ų | 145.6 | 77% | 0.774 | 82% | 0.815 | S | S | * | * | | | trans | -26.3 | 118.3 | 161.2 | 176.6 | -174.5 | -179.3 | 177.9 | 0 | 116.8 | D182 | D182-K184 PolarHBondContact OD1-N 2.93Š|
| 185 | T | 28.4 | Very low | 30.9 | Very low | 142 Ų | 142 | 144.2 Ų | 144.2 | 87% | 0.871 | 82% | 0.818 | S | S | * | * | | | trans | -143.3 | 149.5 | 146.5 | 47.3 | 0 | 0 | 0 | 0 | 110.8 | R183 | R183-T185 PolarHBondContact O-N 3.33Š|
| 186 | T | 30 | Very low | 30.6 | Very low | 123 Ų | 123 | 141.8 Ų | 141.8 | 76% | 0.755 | 82% | 0.821 | S | S | * | * | | | trans | -118.9 | 124.6 | -169.9 | -52.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 187 | V | 30 | Very low | 30.7 | Very low | 141 Ų | 141 | 142.1 Ų | 142.1 | 86% | 0.855 | 82% | 0.824 | S | S | * | * | | | trans | -146.4 | 147.8 | 157.4 | 175.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 188 | K | 29.7 | Very low | 30.8 | Very low | 200 Ų | 200 | 143.9 Ų | 143.9 | 87% | 0.87 | 82% | 0.824 | S | S | * | * | | | trans | -101.4 | 144.4 | 169.9 | -66.7 | 175.9 | 179.6 | 179.6 | 0 | 110.7 | | |
| 189 | S | 29.5 | Very low | 30.8 | Very low | 129 Ų | 129 | 144.5 Ų | 144.5 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | | | trans | -153.7 | 167.8 | 151 | 59.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 190 | Q | 28 | Very low | 30.9 | Very low | 197 Ų | 197 | 148.4 Ų | 148.4 | 92% | 0.921 | 83% | 0.828 | S | S | * | * | | | trans | -134.9 | 128.2 | -159 | 163.9 | -171.9 | -21.6 | 0 | 0 | 109.5 | | |
| 191 | G | 27.9 | Very low | 30.9 | Very low | 77 Ų | 77 | 151.4 Ų | 151.4 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | | | trans | -175.7 | 72.5 | -174 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 192 | K | 30.5 | Very low | 30.9 | Very low | 189 Ų | 189 | 153.3 Ų | 153.3 | 82% | 0.822 | 83% | 0.833 | S | S | * | * | | | trans | 22.9 | 117.2 | 144.9 | -157.1 | 174 | -173.5 | -175.3 | 0 | 120.7 | | |
| 193 | E | 32.1 | Very low | 31 | Very low | 152 Ų | 152 | 149.4 Ų | 149.4 | 71% | 0.71 | 83% | 0.828 | S | S | * | * | | | trans | 25.6 | 137.5 | 130.4 | -97.4 | -163.8 | 126 | 0 | 0 | 120.5 | | |
| 194 | K | 34.8 | Very low | 30.8 | Very low | 183 Ų | 183 | 147.6 Ų | 147.6 | 80% | 0.796 | 83% | 0.827 | S | S | * | * | | | cis | -148.9 | 173.5 | 13.5 | -66.3 | -178.1 | 170.3 | 173.9 | 0 | 110 | | |
| 195 | G | 25.9 | Very low | 30.9 | Very low | 80 Ų | 80 | 148.4 Ų | 148.4 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | | | trans | 157.5 | 7.5 | 143.5 | 0 | 0 | 0 | 0 | 0 | 124.4 | | |
| 196 | A | 30.1 | Very low | 30.9 | Very low | 109 Ų | 109 | 146.7 Ų | 146.7 | 90% | 0.901 | 82% | 0.82 | S | S | * | * | | | trans | -156.7 | 145.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 197 | A | 36.8 | Very low | 30.9 | Very low | 94 Ų | 94 | 146.2 Ų | 146.2 | 78% | 0.777 | 82% | 0.817 | S | S | * | * | | | trans | -123.8 | 108 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 198 | D | 32.8 | Very low | 30.7 | Very low | 151 Ų | 151 | 150 Ų | 150 | 81% | 0.807 | 82% | 0.817 | S | S | * | * | | | trans | -145.6 | 108.1 | 159.9 | -102.7 | -39.5 | 0 | 0 | 0 | 107.6 | | |
| 199 | T | 30.2 | Very low | 30.5 | Very low | 122 Ų | 122 | 149.9 Ų | 149.9 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | | | trans | -137.1 | 97.6 | -176 | 50.8 | 0 | 0 | 0 | 0 | 111.2 | E201 | T199-E201 PolarHBondContact O-N 3.36Å; T199-E201 VanDerWaalsContact O-N 3.15Å |
| 200 | F | 34.8 | Very low | 30.4 | Very low | 204 Ų | 204 | 153.4 Ų | 153.4 | 90% | 0.895 | 82% | 0.816 | S | S | * | * | | | trans | -80.4 | 81.8 | 170 | -75.2 | -88.2 | 0 | 0 | 0 | 110.9 | | |
| 201 | E | 31.1 | Very low | 30.4 | Very low | 178 Ų | 178 | 148.7 Ų | 148.7 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | | | trans | -104.6 | 86.1 | 172.6 | -72.9 | -159.1 | 164.6 | 0 | 0 | 112.7 | T199 | T199-E201 PolarHBondContact O-N 3.36Å; T199-E201 VanDerWaalsContact O-N 3.15Å |
| 202 | I | 32.2 | Very low | 30.7 | Very low | 179 Ų | 179 | 149.4 Ų | 149.4 | 92% | 0.918 | 81% | 0.809 | S | S | * | * | | | trans | -131.9 | 128.5 | 162.4 | -60.3 | -178.9 | 0 | 0 | 0 | 108 | | |
| 203 | G | 28.5 | Very low | 30.6 | Very low | 70 Ų | 70 | 147.8 Ų | 147.8 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | | | cis | -154.3 | 172.3 | 3.3 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 204 | K | 31.3 | Very low | 30.5 | Very low | 201 Ų | 201 | 147 Ų | 147 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | | | trans | -75.2 | 134.1 | -168.4 | -68.6 | 172.1 | -179.5 | 170.3 | 0 | 112.8 | V206 | K204-V206 PolarHBondContact O-N 3.05Å; K204-V206 VanDerWaalsContact O-N 3.08Å |
| 205 | K | 34.7 | Very low | 30.2 | Very low | 195 Ų | 195 | 148.5 Ų | 148.5 | 85% | 0.848 | 81% | 0.814 | S | S | * | * | | | trans | -62.4 | 102.4 | 167.1 | 178.2 | -179 | 179.3 | 176.3 | 0 | 110.5 | | |
| 206 | V | 27.3 | Very low | 30.4 | Very low | 107 Ų | 107 | 152.6 Ų | 152.6 | 65% | 0.648 | 81% | 0.812 | S | S | * | * | | | trans | -96.4 | 115.2 | 171.5 | 179.1 | 0 | 0 | 0 | 0 | 109.6 | K204 Y208 | K204-V206 PolarHBondContact O-N 3.05Å; K204-V206 VanDerWaalsContact O-N 3.08Å; V206-Y208 PolarHBondContact O-N 2.79Å |
| 207 | T | 30.5 | Very low | 30.4 | Very low | 113 Ų | 113 | 153.4 Ų | 153.4 | 69% | 0.693 | 81% | 0.81 | S | S | * | * | | | trans | -80.3 | 109.2 | 172.6 | 27.7 | 0 | 0 | 0 | 0 | 110.6 | K209 | T207-K209 PolarHBondContact O-N 2.86Å; T207-K209 VanDerWaalsContact O-N 3.12Å |
| 208 | Y | 26.2 | Very low | 30.1 | Very low | 219 Ų | 219 | 157.1 Ų | 157.1 | 86% | 0.859 | 82% | 0.816 | S | S | * | * | | | trans | -66.6 | 109.2 | 173.7 | -81.9 | -86.2 | 0 | 0 | 0 | 111.3 | V206 | V206-Y208 PolarHBondContact O-N 2.79Š|
| 209 | K | 25.8 | Very low | 30.1 | Very low | 199 Ų | 199 | 153 Ų | 153 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | | | trans | -76.5 | 121.4 | 160.9 | -69.1 | -175.2 | 177.9 | -177.6 | 0 | 108.2 | T207 A211 | T207-K209 PolarHBondContact O-N 2.86Å; T207-K209 VanDerWaalsContact O-N 3.12Å; K209-A211 PolarHBondContact O-N 3.33Å; K209-A211 VanDerWaalsContact O-N 3.08Å |
| 210 | K | 27.6 | Very low | 30.6 | Very low | 202 Ų | 202 | 153.5 Ų | 153.5 | 88% | 0.878 | 82% | 0.816 | S | S | * | * | | | trans | -64.3 | 108.3 | 172.8 | -177.5 | 177.4 | -179.2 | 178.2 | 0 | 109.1 | A212 | K210-A212 PolarHBondContact O-N 2.79Š|
| 211 | A | 28 | Very low | 30.8 | Very low | 98 Ų | 98 | 149.5 Ų | 149.5 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | | | trans | -69.4 | 101.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | K209 | K209-A211 PolarHBondContact O-N 3.33Å; K209-A211 VanDerWaalsContact O-N 3.08Å |
| 212 | A | 33.5 | Very low | 30.8 | Very low | 92 Ų | 92 | 148.6 Ų | 148.6 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | | | trans | -80.4 | 124.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | K210 | K210-A212 PolarHBondContact O-N 2.79Š|
| 213 | L | 29.1 | Very low | 30.9 | Very low | 155 Ų | 155 | 145 Ų | 145 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | | | trans | -127.4 | 101.1 | 168.8 | -163.3 | 74.3 | 0 | 0 | 0 | 110 | | |
| 214 | I | 30.7 | Very low | 31.3 | Very low | 136 Ų | 136 | 150.3 Ų | 150.3 | 70% | 0.697 | 81% | 0.807 | S | S | * | * | | | trans | 49.8 | 104.4 | 148.4 | -51.3 | 170.4 | 0 | 0 | 0 | 116.1 | E216 | I214-E216 HydrophobicContact CG2-CB 4.15Š|
| 215 | K | 28.4 | Very low | 31.6 | Very low | 215 Ų | 215 | 146.2 Ų | 146.2 | 94% | 0.935 | 80% | 0.801 | S | S | * | * | | | trans | -121.1 | 113.3 | 134.9 | -155.3 | 177.4 | -173.3 | -175.3 | 0 | 107.5 | | |
| 216 | E | 28.3 | Very low | 31.5 | Very low | 165 Ų | 165 | 141.5 Ų | 141.5 | 77% | 0.771 | 79% | 0.793 | S | S | * | * | | | trans | -87.8 | 127.7 | -173.6 | 179.8 | 175.7 | -152.9 | 0 | 0 | 110.4 | I214 | I214-E216 HydrophobicContact CG2-CB 4.15Š|
| 217 | C | 30.4 | Very low | 32 | Very low | 126 Ų | 126 | 142 Ų | 142 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | | | trans | -174.5 | 138.8 | 161.3 | -96.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 218 | D | 30.9 | Very low | 32.2 | Very low | 172 Ų | 172 | 146.1 Ų | 146.1 | 92% | 0.92 | 81% | 0.805 | S | S | * | * | | | trans | -80.1 | 150.1 | -169.6 | -58.3 | -83.4 | 0 | 0 | 0 | 115.5 | | |
| 219 | G | 33.4 | Very low | 32.5 | Very low | 66 Ų | 66 | 143.5 Ų | 143.5 | 68% | 0.68 | 81% | 0.806 | S | S | * | * | | | trans | 178.1 | 136.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 220 | P | 39.8 | Very low | 32.9 | Very low | 132 Ų | 132 | 141.9 Ų | 141.9 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | | | trans | -75.8 | 154.2 | -175.1 | 30.6 | -35.2 | 0 | 0 | 0 | 113.3 | | |
| 221 | P | 40.2 | Very low | 33.4 | Very low | 119 Ų | 119 | 138.1 Ų | 138.1 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | | | trans | -87.1 | 149.5 | -168.4 | 34.6 | -36.5 | 0 | 0 | 0 | 114.2 | | |
| 222 | N | 31.1 | Very low | 33.9 | Very low | 160 Ų | 160 | 144.7 Ų | 144.7 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | | | trans | -157.1 | 135.7 | 153.5 | -98.6 | -43.3 | 0 | 0 | 0 | 112.6 | | |
| 223 | S | 34.1 | Very low | 34.1 | Very low | 103 Ų | 103 | 146.9 Ų | 146.9 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | | | trans | 44.7 | 103.8 | 156.4 | 60.6 | 0 | 0 | 0 | 0 | 121.4 | | |
| 224 | E | 36.6 | Very low | 34.8 | Very low | 181 Ų | 181 | 146.7 Ų | 146.7 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | | | trans | 53.7 | 145.6 | 136.1 | -68 | -61.5 | 106.7 | 0 | 0 | 122.8 | | |
| 225 | P | 37.5 | Very low | 35.3 | Very low | 115 Ų | 115 | 149.3 Ų | 149.3 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | | | trans | -89.7 | 118.8 | -173.4 | 34.8 | -32.3 | 0 | 0 | 0 | 113.6 | | |
| 226 | S | 31.6 | Very low | 36.4 | Very low | 96 Ų | 96 | 145.6 Ų | 145.6 | 67% | 0.671 | 81% | 0.808 | S | S | * | * | | | trans | -96.6 | 121 | 166.6 | -165.9 | 0 | 0 | 0 | 0 | 111 | Y228 | S226-Y228 PolarHBondContact O-N 3.38Å; S226-Y228 WeakPolarHBondContact OG-CD2 3.21Å; S226-Y228 VanDerWaalsContact OG-CE2 3.28Å; S226-Y228 WeakPolarHBondContact OG-CE2 3.37Å |
| 227 | S | 38.4 | Very low | 37.3 | Very low | 117 Ų | 117 | 146.8 Ų | 146.8 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | | | trans | -84.9 | 92.8 | -177.3 | 58.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 228 | Y | 35.8 | Very low | 38.1 | Very low | 200 Ų | 200 | 144.4 Ų | 144.4 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | | | trans | -122.7 | 101.7 | 167 | -73 | -72.4 | 0 | 0 | 0 | 110.5 | S226 Q230 | S226-Y228 PolarHBondContact O-N 3.38Å; S226-Y228 WeakPolarHBondContact OG-CD2 3.21Å; S226-Y228 VanDerWaalsContact OG-CE2 3.28Å; S226-Y228 WeakPolarHBondContact OG-CE2 3.37Å; Y228-Q230 PolarHBondContact O-N 2.83Å |
| 229 | D | 32.6 | Very low | 38.2 | Very low | 164 Ų | 164 | 142.5 Ų | 142.5 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | | | trans | -77.7 | 103.1 | 173.4 | -160.7 | 8.8 | 0 | 0 | 0 | 108.6 | P231 | D229-P231 WeakPolarHBondContact O-CD 3.43Š|
| 230 | Q | 33 | Very low | 38.6 | Very low | 166 Ų | 166 | 146.8 Ų | 146.8 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 120.3 | -179.2 | -80.1 | -171.1 | -18.7 | 0 | 0 | 110.3 | Y228 R232 | Y228-Q230 PolarHBondContact O-N 2.83Å; Q230-R232 PolarHBondContact O-N 2.8Å; Q230-R232 VanDerWaalsContact O-N 3.14Å |
| 231 | P | 37.9 | Very low | 38.8 | Very low | 122 Ų | 122 | 146.9 Ų | 146.9 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 119.2 | 171.4 | 27.3 | -33 | 0 | 0 | 0 | 108.8 | D229 V233 | D229-P231 WeakPolarHBondContact O-CD 3.43Å; P231-V233 PolarHBondContact O-N 3Å |
| 232 | R | 39.1 | Very low | 38.8 | Very low | 236 Ų | 236 | 148.9 Ų | 148.9 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 124.3 | 174.4 | -71.2 | -173.6 | 178.1 | -169.5 | -0.7 | 109.1 | Q230 I234 | Q230-R232 PolarHBondContact O-N 2.8Å; Q230-R232 VanDerWaalsContact O-N 3.14Å; R232-I234 PolarHBondContact O-N 3.17Å |
| 233 | V | 38 | Very low | 39.5 | Very low | 139 Ų | 139 | 150.3 Ų | 150.3 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 123.8 | 173.6 | 178.3 | 0 | 0 | 0 | 0 | 109.1 | P231 | P231-V233 PolarHBondContact O-N 3Š|
| 234 | I | 42.7 | Very low | 40.4 | Very low | 151 Ų | 151 | 153 Ų | 153 | 77% | 0.774 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 132 | 166.4 | -61.6 | 177.8 | 0 | 0 | 0 | 107.1 | R232 | R232-I234 PolarHBondContact O-N 3.17Š|
| 235 | E | 41.3 | Very low | 41 | Very low | 190 Ų | 190 | 149.4 Ų | 149.4 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 138.2 | -177.3 | -159.3 | 161.9 | -157 | 0 | 0 | 110.8 | E237 | E235-E237 PolarHBondContact O-N 3.04Š|
| 236 | V | 51 | Low | 41.2 | Very low | 137 Ų | 137 | 152.5 Ų | 152.5 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | | | trans | -84.6 | 114.9 | -161.5 | 175.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 237 | E | 48 | Very low | 42.3 | Very low | 190 Ų | 190 | 153.3 Ų | 153.3 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -143.1 | 102 | 155.3 | -165.8 | 169.6 | -162 | 0 | 0 | 111.4 | E235 | E235-E237 PolarHBondContact O-N 3.04Š|
| 238 | G | 46.6 | Very low | 42.4 | Very low | 76 Ų | 76 | 152.2 Ų | 152.2 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | | | trans | 69.8 | 54.7 | 156.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 239 | V | 33.6 | Very low | 42.9 | Very low | 132 Ų | 132 | 151.7 Ų | 151.7 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | | | trans | -79.9 | 127.9 | 168 | -177.6 | 0 | 0 | 0 | 0 | 110.9 | E241 | V239-E241 HydrophobicContact CG1-CG 4.1Š|
| 240 | M | 41.7 | Very low | 43.2 | Very low | 156 Ų | 156 | 151.6 Ų | 151.6 | 77% | 0.768 | 79% | 0.786 | S | S | * | * | | | trans | -98.6 | 120 | 161.2 | -178.4 | -167.7 | -61.7 | 0 | 0 | 108.3 | E242 | M240-E242 PolarHBondContact O-N 3.39Å; M240-E242 HydrophobicContact SD-CG 4.15Å |
| 241 | E | 43.8 | Very low | 43.7 | Very low | 135 Ų | 135 | 151.6 Ų | 151.6 | 63% | 0.631 | 79% | 0.79 | S | S | * | * | | | trans | -89.5 | 97.5 | 174.9 | -65.8 | -176 | 138.4 | 0 | 0 | 110.5 | V239 Y243 | V239-E241 HydrophobicContact CG1-CG 4.1Å; E241-Y243 HydrophobicContact CB-CD2 4.1Å; E241-Y243 HydrophobicContact CB-CE2 3.65Å; E241-Y243 WeakPolarHBondContact O-CD2 3.28Å; E241-Y243 PolarHBondContact O-N 3.09Å; E241-Y243 PolarHBondContact OE2-OH 3.2Å; E241-Y243 VanDerWaalsContact OE2-OH 3.07Å |
| 242 | E | 41.1 | Very low | 43.8 | Very low | 160 Ų | 160 | 156.6 Ų | 156.6 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | trans | -79.6 | 100.5 | 165.4 | -73.2 | -165.2 | 140.5 | 0 | 0 | 110 | M240 L244 | M240-E242 PolarHBondContact O-N 3.39Å; M240-E242 HydrophobicContact SD-CG 4.15Å; E242-L244 VanDerWaalsContact C-N 3.33Å; E242-L244 PolarHBondContact O-N 2.99Å |
| 243 | Y | 45.4 | Very low | 43.8 | Very low | 190 Ų | 190 | 153.1 Ų | 153.1 | 75% | 0.745 | 79% | 0.792 | S | S | * | * | | | trans | -72.5 | 81.5 | 175.7 | -74.5 | -92.3 | 0 | 0 | 0 | 111.8 | E241 A245 | E241-Y243 HydrophobicContact CB-CD2 4.1Å; E241-Y243 HydrophobicContact CB-CE2 3.65Å; E241-Y243 WeakPolarHBondContact O-CD2 3.28Å; E241-Y243 PolarHBondContact O-N 3.09Å; E241-Y243 PolarHBondContact OE2-OH 3.2Å; E241-Y243 VanDerWaalsContact OE2-OH 3.07Å; Y243-A245 PolarHBondContact O-N 3.02Å; Y243-A245 VanDerWaalsContact O-N 3.13Å |
| 244 | L | 52.3 | Low | 43.7 | Very low | 159 Ų | 159 | 155.7 Ų | 155.7 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | | | trans | -69.6 | 102.4 | 166.3 | -74 | 171.3 | 0 | 0 | 0 | 109.9 | E242 F246 | E242-L244 VanDerWaalsContact C-N 3.33Å; E242-L244 PolarHBondContact O-N 2.99Å; L244-F246 PolarHBondContact O-N 3.44Å |
| 245 | A | 50.8 | Low | 43 | Very low | 106 Ų | 106 | 154.3 Ų | 154.3 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | | | trans | -67 | 115.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y243 | Y243-A245 PolarHBondContact O-N 3.02Å; Y243-A245 VanDerWaalsContact O-N 3.13Å |
| 246 | F | 41.1 | Very low | 43.1 | Very low | 180 Ų | 180 | 153.7 Ų | 153.7 | 79% | 0.789 | 79% | 0.794 | S | S | * | * | | | trans | -103 | 105 | 177.9 | -170.7 | -89.9 | 0 | 0 | 0 | 109.3 | L244 S248 | L244-F246 PolarHBondContact O-N 3.44Å; F246-S248 PolarHBondContact O-N 3.09Å; F246-S248 VanDerWaalsContact O-N 3.07Å |
| 247 | D | 53.5 | Low | 42.5 | Very low | 114 Ų | 114 | 156 Ų | 156 | 61% | 0.61 | 80% | 0.796 | S | S | * | * | | | trans | -77.5 | 93 | 175.9 | -161.4 | -14 | 0 | 0 | 0 | 109.6 | R249 | D247-R249 PolarHBondContact O-N 3.17Å; D247-R249 VanDerWaalsContact O-N 3.09Å; D247-R249 IonicContact OD1-CZ 3.17Å; D247-R249 IonicContact OD1-NE 3.65Å; D247-R249 PolarHBondContact OD1-NE 3.37Å; D247-R249 IonicContact OD1-NH2 3.42Å; D247-R249 PolarHBondContact OD1-NH2 2.92Å; D247-R249 IonicContact OD2-CZ 2.71Å; D247-R249 IonicContact OD2-NE 3.89Å; D247-R249 IonicContact OD2-NH2 2.72Å; D247-R249 PolarHBondContact OD2-NH2 3.05Å |
| 248 | S | 41.5 | Very low | 41.8 | Very low | 94 Ų | 94 | 155.3 Ų | 155.3 | 66% | 0.657 | 79% | 0.793 | S | S | * | * | | | trans | -83.3 | 47.3 | 179.4 | 47.8 | 0 | 0 | 0 | 0 | 113.1 | F246 | F246-S248 PolarHBondContact O-N 3.09Å; F246-S248 VanDerWaalsContact O-N 3.07Å |
| 249 | R | 45.3 | Very low | 41 | Very low | 189 Ų | 189 | 157 Ų | 157 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | | | trans | -106.4 | 93.3 | 167.2 | -78.7 | 179.3 | -72.3 | -169.1 | 2.4 | 110.7 | D247 | D247-R249 PolarHBondContact O-N 3.17Å; D247-R249 VanDerWaalsContact O-N 3.09Å; D247-R249 IonicContact OD1-CZ 3.17Å; D247-R249 IonicContact OD1-NE 3.65Å; D247-R249 PolarHBondContact OD1-NE 3.37Å; D247-R249 IonicContact OD1-NH2 3.42Å; D247-R249 PolarHBondContact OD1-NH2 2.92Å; D247-R249 IonicContact OD2-CZ 2.71Å; D247-R249 IonicContact OD2-NE 3.89Å; D247-R249 IonicContact OD2-NH2 2.72Å; D247-R249 PolarHBondContact OD2-NH2 3.05Å |
| 250 | D | 38.9 | Very low | 41.3 | Very low | 161 Ų | 161 | 156 Ų | 156 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | | | | -176.3 | 78.9 | 124.5 | -88.9 | -14.4 | 0 | 0 | 0 | 110.4 | | |
| 251 | L | 44.8 | Very low | 40.9 | Very low | 167 Ų | 167 | 156.5 Ų | 156.5 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | | | trans | -100.1 | 109.3 | 162.6 | -87.8 | 171.4 | 0 | 0 | 0 | 109 | | |
| 252 | R | 38.7 | Very low | 40.7 | Very low | 227 Ų | 227 | 155.1 Ų | 155.1 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | | | trans | 74 | 104.8 | 179.7 | -53.6 | 168.4 | 172.8 | -92.1 | -1.4 | 115.1 | | |
| 253 | N | 38.9 | Very low | 40.7 | Very low | 162 Ų | 162 | 153 Ų | 153 | 87% | 0.866 | 79% | 0.791 | S | S | * | * | | | | -149.9 | 167.3 | 95.2 | -90.9 | -19 | 0 | 0 | 0 | 110.6 | | |
| 254 | E | 36.3 | Very low | 40.6 | Very low | 194 Ų | 194 | 154.2 Ų | 154.2 | 91% | 0.907 | 79% | 0.794 | S | S | * | * | | | trans | -83.4 | 132.9 | -175.7 | -60.9 | 157 | 120 | 0 | 0 | 111.4 | | |
| 255 | C | 29.5 | Very low | 40.1 | Very low | 122 Ų | 122 | 157.1 Ų | 157.1 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | | | | -174.7 | 173.1 | 111.5 | -152.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 256 | H | 41.4 | Very low | 40.1 | Very low | 177 Ų | 177 | 159.1 Ų | 159.1 | 82% | 0.819 | 79% | 0.785 | S | S | * | * | | | trans | -70.3 | 141.7 | 171.8 | -67.6 | -106.5 | 0 | 0 | 0 | 112.3 | | |
| 257 | E | 39.3 | Very low | 40.4 | Very low | 185 Ų | 185 | 159.6 Ų | 159.6 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | | | | -152 | 156.3 | 129.8 | -102.8 | -51.3 | 154 | 0 | 0 | 109.1 | | |
| 258 | E | 32.8 | Very low | 40.3 | Very low | 176 Ų | 176 | 159.3 Ų | 159.3 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | | | trans | -107.2 | 115.1 | -170.3 | -175 | 173.7 | -165.2 | 0 | 0 | 112.2 | | |
| 259 | C | 31.2 | Very low | 41.1 | Very low | 111 Ų | 111 | 162 Ų | 162 | 75% | 0.75 | 80% | 0.801 | S | S | * | * | | | trans | -146 | 105.6 | 171.4 | -159.5 | 0 | 0 | 0 | 0 | 112.9 | E261 | C259-E261 PolarHBondContact O-N 3.35Å; C259-E261 VanDerWaalsContact O-N 3.16Å |
| 260 | P | 39.3 | Very low | 41.7 | Very low | 110 Ų | 110 | 157.8 Ų | 157.8 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | | | trans | -89.7 | 63.2 | -177.9 | 36.3 | -35.8 | 0 | 0 | 0 | 112.3 | S262 | P260-S262 PolarHBondContact O-N 2.72Š|
| 261 | E | 33.4 | Very low | 43 | Very low | 168 Ų | 168 | 156.5 Ų | 156.5 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | | | trans | -68.5 | 84.4 | 165.2 | -75.9 | -143.8 | 135.4 | 0 | 0 | 110.2 | C259 V263 | C259-E261 PolarHBondContact O-N 3.35Å; C259-E261 VanDerWaalsContact O-N 3.16Å; E261-V263 PolarHBondContact O-N 2.95Å |
| 262 | S | 40.2 | Very low | 44.5 | Very low | 105 Ų | 105 | 153 Ų | 153 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | trans | -68.9 | 76.1 | 169.6 | 48.5 | 0 | 0 | 0 | 0 | 109.9 | P260 R264 | P260-S262 PolarHBondContact O-N 2.72Å; S262-R264 PolarHBondContact O-N 3.17Å |
| 263 | V | 40.7 | Very low | 46.6 | Very low | 117 Ų | 117 | 145 Ų | 145 | 71% | 0.709 | 76% | 0.763 | S | S | * | * | | | trans | -45.1 | 112.1 | 165.6 | 174.8 | 0 | 0 | 0 | 0 | 107 | E261 R265 | E261-V263 PolarHBondContact O-N 2.95Å; V263-R265 VanDerWaalsContact C-N 3.3Å; V263-R265 PolarHBondContact O-N 3.37Å |
| 264 | R | 43.5 | Very low | 48.8 | Very low | 214 Ų | 214 | 141.9 Ų | 141.9 | 81% | 0.808 | 75% | 0.752 | S | S | * | * | | | trans | -64.3 | 96.1 | -177.2 | -63.6 | -174.9 | -168.3 | -176.3 | 5.3 | 107.4 | S262 H266 | S262-R264 PolarHBondContact O-N 3.17Å; R264-H266 PolarHBondContact O-CD2 2.89Å; R264-H266 VanDerWaalsContact O-CD2 3.28Å; R264-H266 PolarHBondContact O-N 3.35Å |
| 265 | R | 41.8 | Very low | 51.2 | Low | 220 Ų | 220 | 139.6 Ų | 139.6 | 83% | 0.83 | 74% | 0.736 | S | S | * | * | | | trans | -65 | 84.4 | 167.7 | -63.9 | -176.1 | -169.4 | 168.7 | 4.5 | 106.4 | V263 H267 | V263-R265 VanDerWaalsContact C-N 3.3Å; V263-R265 PolarHBondContact O-N 3.37Å; R265-H267 PolarHBondContact O-N 2.87Å; R265-H267 VanDerWaalsContact O-N 3.16Å |
| 266 | H | 49.1 | Very low | 53.7 | Low | 149 Ų | 149 | 137 Ų | 137 | 69% | 0.69 | 72% | 0.718 | S | S | * | * | | | trans | -47.5 | 126.3 | 165.8 | -76.5 | -93.9 | 0 | 0 | 0 | 106.5 | R264 C268 | R264-H266 PolarHBondContact O-CD2 2.89Å; R264-H266 VanDerWaalsContact O-CD2 3.28Å; R264-H266 PolarHBondContact O-N 3.35Å; H266-C268 PolarHBondContact O-N 3.1Å |
| 267 | H | 48.5 | Very low | 55.9 | Low | 189 Ų | 189 | 131.7 Ų | 131.7 | 88% | 0.875 | 70% | 0.7 | S | S | * | * | | | trans | -73.4 | 62.4 | 177.5 | -64.4 | -75.2 | 0 | 0 | 0 | 109.5 | R265 L269 | R265-H267 PolarHBondContact O-N 2.87Å; R265-H267 VanDerWaalsContact O-N 3.16Å; H267-L269 PolarHBondContact O-N 3.07Å |
| 268 | C | 50.3 | Low | 58.3 | Low | 108 Ų | 108 | 131.4 Ų | 131.4 | 73% | 0.73 | 69% | 0.691 | S | S | * | * | | | trans | -60.2 | 108.4 | 167.5 | -64.3 | 0 | 0 | 0 | 0 | 106.7 | H266 | H266-C268 PolarHBondContact O-N 3.1Š|
| 269 | L | 60.2 | Low | 61.3 | Low | 151 Ų | 151 | 130.4 Ų | 130.4 | 79% | 0.791 | 68% | 0.68 | S | S | * | * | | | trans | -50.7 | 137.5 | 168.4 | -63.7 | 172.2 | 0 | 0 | 0 | 108.1 | H267 | H267-L269 PolarHBondContact O-N 3.07Š|
| 270 | P | 57.6 | Low | 64.1 | Low | 101 Ų | 101 | 130 Ų | 130 | 66% | 0.656 | 67% | 0.667 | S | S | * | * | | | trans | -55.1 | 139 | -177.1 | 23.2 | -33.8 | 0 | 0 | 0 | 109.7 | V272 | P270-V272 WeakPolarHBondContact O-CG2 3.25Å; P270-V272 PolarHBondContact O-N 3.5Å |
| 271 | P | 66.2 | Low | 66.7 | Low | 134 Ų | 134 | 127.1 Ų | 127.1 | 87% | 0.87 | 65% | 0.653 | S | S | * | * | | | trans | -60.7 | 103.6 | -167.5 | 22.8 | -33.8 | 0 | 0 | 0 | 111.2 | S273 | P271-S273 PolarHBondContact O-N 3.06Š|
| 272 | V | 75.4 | Confident | 69.6 | Low | 94 Ų | 94 | 121.6 Ų | 121.6 | 57% | 0.57 | 64% | 0.635 | S | S | * | * | | | trans | -73.4 | 113.6 | -175.7 | -167.3 | 0 | 0 | 0 | 0 | 108.9 | P270 C276 C277 | P270-V272 WeakPolarHBondContact O-CG2 3.25Å; P270-V272 PolarHBondContact O-N 3.5Å; V272-C276 HydrophobicContact CG1-CB 4.07Å; V272-C277 WeakPolarHBondContact CG1-SG 3.33Å |
| 273 | S | 83.1 | Confident | 72.2 | Confident | 59 Ų | 59 | 120.4 Ų | 120.4 | 41% | 0.413 | 62% | 0.621 | S | S | . | * | | | trans | -54.1 | 134.2 | 176.7 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | P271 Y275 C276 C277 | P271-S273 PolarHBondContact O-N 3.06Å; S273-Y275 PolarHBondContact O-N 2.8Å; S273-Y275 PolarHBondContact OG-N 3.27Å; S273-C276 WeakPolarHBondContact O-CA 3.35Å; S273-C276 WeakPolarHBondContact O-CB 3.4Å; S273-C276 PolarHBondContact O-N 3.28Å; S273-C277 PolarHBondContact O-N 3.39Å; S273-C277 VanDerWaalsContact O-N 3.13Å |
| 274 | P | 85.1 | Confident | 74.9 | Confident | 96 Ų | 96 | 118.4 Ų | 118.4 | 62% | 0.623 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -56 | -24.2 | 176.5 | -27.7 | 35.5 | 0 | 0 | 0 | 114.1 | R278 | P274-R278 WeakPolarHBondContact O-CB 3.31Å; P274-R278 PolarHBondContact O-N 3.13Å; P274-R278 VanDerWaalsContact O-N 3.13Å |
| 275 | Y | 86.6 | Confident | 77.3 | Confident | 146 Ų | 146 | 113.7 Ų | 113.7 | 57% | 0.573 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.5 | -44.9 | 170.8 | 175.8 | -94.5 | 0 | 0 | 0 | 111.8 | S273 R278 R279 | S273-Y275 PolarHBondContact O-N 2.8Å; S273-Y275 PolarHBondContact OG-N 3.27Å; Y275-R278 PolarHBondContact O-N 2.98Å; Y275-R279 WeakPolarHBondContact O-CB 3.4Å; Y275-R279 PolarHBondContact O-N 2.76Å |
| 276 | C | 82.7 | Confident | 79.9 | Confident | 67 Ų | 67 | 108.4 Ų | 108.4 | 45% | 0.453 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.7 | -44 | 177.4 | -62.8 | 0 | 0 | 0 | 0 | 111.3 | V272 S273 R278 R279 Q280 | V272-C276 HydrophobicContact CG1-CB 4.07Å; S273-C276 WeakPolarHBondContact O-CA 3.35Å; S273-C276 WeakPolarHBondContact O-CB 3.4Å; S273-C276 PolarHBondContact O-N 3.28Å; C276-R278 VanDerWaalsContact C-N 3.33Å; C276-R278 PolarHBondContact O-N 2.75Å; C276-R279 PolarHBondContact O-N 2.71Å; C276-Q280 WeakPolarHBondContact O-CB 3.44Å; C276-Q280 PolarHBondContact O-N 2.76Å |
| 277 | C | 88.1 | Confident | 82.2 | Confident | 66 Ų | 66 | 107 Ų | 107 | 45% | 0.446 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -57.5 | -45 | 174.1 | -60.2 | 0 | 0 | 0 | 0 | 112.1 | V272 S273 Q280 A281 | V272-C277 WeakPolarHBondContact CG1-SG 3.33Å; S273-C277 PolarHBondContact O-N 3.39Å; S273-C277 VanDerWaalsContact O-N 3.13Å; C277-Q280 PolarHBondContact O-N 3.28Å; C277-A281 WeakPolarHBondContact O-CB 3.45Å; C277-A281 PolarHBondContact O-N 2.96Å |
| 278 | R | 89.6 | Confident | 84.5 | Confident | 178 Ų | 178 | 102.6 Ų | 102.6 | 67% | 0.672 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -68.2 | -39.2 | 179.2 | -167.3 | -171.9 | -56.2 | 150.5 | 4.9 | 112.2 | P274 Y275 C276 A282 | P274-R278 WeakPolarHBondContact O-CB 3.31Å; P274-R278 PolarHBondContact O-N 3.13Å; P274-R278 VanDerWaalsContact O-N 3.13Å; Y275-R278 PolarHBondContact O-N 2.98Å; C276-R278 VanDerWaalsContact C-N 3.33Å; C276-R278 PolarHBondContact O-N 2.75Å; R278-A282 WeakPolarHBondContact O-CB 3.42Å; R278-A282 PolarHBondContact O-N 3.16Å; R278-A282 VanDerWaalsContact O-N 3.12Å |
| 279 | R | 94 | Very high | 86.6 | Confident | 156 Ų | 156 | 101.1 Ų | 101.1 | 59% | 0.589 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.6 | -44.1 | 175.2 | -179.3 | 177.9 | 173.7 | -171.9 | -2.9 | 110.9 | Y275 C276 A282 L283 | Y275-R279 WeakPolarHBondContact O-CB 3.4Å; Y275-R279 PolarHBondContact O-N 2.76Å; C276-R279 PolarHBondContact O-N 2.71Å; R279-A282 PolarHBondContact O-N 2.77Å; R279-L283 HydrophobicContact CG-CD1 4.14Å; R279-L283 WeakPolarHBondContact O-CG 3.34Å; R279-L283 PolarHBondContact O-N 2.91Å |
| 280 | Q | 91.8 | Very high | 88.4 | Confident | 102 Ų | 102 | 98.8 Ų | 98.8 | 48% | 0.477 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.2 | -52 | 178 | -168.9 | 58.9 | 43.7 | 0 | 0 | 110.8 | C276 C277 A282 L283 D284 | C276-Q280 WeakPolarHBondContact O-CB 3.44Å; C276-Q280 PolarHBondContact O-N 2.76Å; C277-Q280 PolarHBondContact O-N 3.28Å; Q280-A282 PolarHBondContact O-N 3.2Å; Q280-A282 VanDerWaalsContact O-N 3.12Å; Q280-L283 CarbonylContact O-C 3.53Å; Q280-L283 WeakPolarHBondContact O-CA 3.41Å; Q280-L283 WeakPolarHBondContact O-CB 3.5Å; Q280-L283 PolarHBondContact O-N 3.41Å; Q280-D284 PolarHBondContact NE2-OD1 3.4Å; Q280-D284 PolarHBondContact O-N 3.14Å |
| 281 | A | 92.7 | Very high | 90.3 | Very high | 50 Ų | 50 | 100.2 Ų | 100.2 | 41% | 0.413 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -57.9 | -31.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | C277 L285 | C277-A281 WeakPolarHBondContact O-CB 3.45Å; C277-A281 PolarHBondContact O-N 2.96Å; A281-L285 WeakPolarHBondContact O-CD1 3.19Å; A281-L285 VanDerWaalsContact O-CG 3.31Å; A281-L285 WeakPolarHBondContact O-CG 3.47Å; A281-L285 PolarHBondContact O-N 3.11Å |
| 282 | A | 94.4 | Very high | 91.8 | Very high | 51 Ų | 51 | 100 Ų | 100 | 42% | 0.421 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -73.1 | -36.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R278 R279 Q280 L286 | R278-A282 WeakPolarHBondContact O-CB 3.42Å; R278-A282 PolarHBondContact O-N 3.16Å; R278-A282 VanDerWaalsContact O-N 3.12Å; R279-A282 PolarHBondContact O-N 2.77Å; Q280-A282 PolarHBondContact O-N 3.2Å; Q280-A282 VanDerWaalsContact O-N 3.12Å; A282-L286 WeakPolarHBondContact O-CD1 3.44Å; A282-L286 VanDerWaalsContact O-CG 3.26Å; A282-L286 WeakPolarHBondContact O-CG 3.39Å; A282-L286 PolarHBondContact O-N 3.3Å |
| 283 | L | 96 | Very high | 92.8 | Very high | 81 Ų | 81 | 99.9 Ų | 99.9 | 42% | 0.424 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.5 | -38.6 | 173.6 | -70.5 | 169.7 | 0 | 0 | 0 | 111.8 | R279 Q280 L286 F287 | R279-L283 HydrophobicContact CG-CD1 4.14Å; R279-L283 WeakPolarHBondContact O-CG 3.34Å; R279-L283 PolarHBondContact O-N 2.91Å; Q280-L283 CarbonylContact O-C 3.53Å; Q280-L283 WeakPolarHBondContact O-CA 3.41Å; Q280-L283 WeakPolarHBondContact O-CB 3.5Å; Q280-L283 PolarHBondContact O-N 3.41Å; L283-L286 PolarHBondContact O-N 2.83Å; L283-F287 WeakPolarHBondContact O-CB 3.41Å; L283-F287 PolarHBondContact O-N 3.09Å |
| 284 | D | 95.9 | Very high | 93.5 | Very high | 74 Ų | 74 | 100.2 Ų | 100.2 | 40% | 0.396 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 177.9 | -57.1 | -32.4 | 0 | 0 | 0 | 110.8 | Q280 F287 D288 | Q280-D284 PolarHBondContact NE2-OD1 3.4Å; Q280-D284 PolarHBondContact O-N 3.14Å; D284-F287 WeakPolarHBondContact O-CB 3.38Å; D284-F287 PolarHBondContact O-N 2.8Å; D284-D288 PolarHBondContact O-N 3.44Å |
| 285 | L | 94.8 | Very high | 94 | Very high | 116 Ų | 116 | 98.9 Ų | 98.9 | 61% | 0.607 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.1 | -41.4 | 175.7 | -69.9 | 167.5 | 0 | 0 | 0 | 112.5 | A281 F287 D288 D289 | A281-L285 WeakPolarHBondContact O-CD1 3.19Å; A281-L285 VanDerWaalsContact O-CG 3.31Å; A281-L285 WeakPolarHBondContact O-CG 3.47Å; A281-L285 PolarHBondContact O-N 3.11Å; L285-F287 VanDerWaalsContact C-N 3.32Å; L285-D288 PolarHBondContact O-N 3.42Å; L285-D289 PolarHBondContact O-N 3.34Å |
| 286 | L | 96.6 | Very high | 94.4 | Very high | 108 Ų | 108 | 93.3 Ų | 93.3 | 57% | 0.565 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -67.6 | -33.6 | 175.6 | -72.3 | 170.3 | 0 | 0 | 0 | 112.1 | A282 L283 V290 | A282-L286 WeakPolarHBondContact O-CD1 3.44Å; A282-L286 VanDerWaalsContact O-CG 3.26Å; A282-L286 WeakPolarHBondContact O-CG 3.39Å; A282-L286 PolarHBondContact O-N 3.3Å; L283-L286 PolarHBondContact O-N 2.83Å; L286-V290 WeakPolarHBondContact O-CB 3.31Å; L286-V290 WeakPolarHBondContact O-CG2 3.37Å; L286-V290 PolarHBondContact O-N 3.16Å |
| 287 | F | 96.8 | Very high | 95.1 | Very high | 121 Ų | 121 | 97.9 Ų | 97.9 | 53% | 0.531 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.6 | -50.2 | 173.1 | 177.6 | -90.6 | 0 | 0 | 0 | 110.7 | L283 D284 L285 D289 V290 W291 | L283-F287 WeakPolarHBondContact O-CB 3.41Å; L283-F287 PolarHBondContact O-N 3.09Å; D284-F287 WeakPolarHBondContact O-CB 3.38Å; D284-F287 PolarHBondContact O-N 2.8Å; L285-F287 VanDerWaalsContact C-N 3.32Å; F287-D289 VanDerWaalsContact C-N 3.25Å; F287-D289 PolarHBondContact O-N 2.79Å; F287-V290 PolarHBondContact O-N 2.69Å; F287-W291 HydrophobicContact CD1-CB 4.37Å; F287-W291 HydrophobicContact CE1-CB 4.07Å; F287-W291 HydrophobicContact CE1-CD2 4.4Å; F287-W291 HydrophobicContact CE1-CG 4.08Å; F287-W291 HydrophobicContact CE2-CE3 4.36Å; F287-W291 HydrophobicContact CZ-CB 4.27Å; F287-W291 HydrophobicContact CZ-CD2 4.02Å; F287-W291 AromaticContact CZ-CE3 3.97Å; F287-W291 HydrophobicContact CZ-CE3 3.97Å; F287-W291 HydrophobicContact CZ-CG 4.15Å; F287-W291 WeakPolarHBondContact O-CB 3.32Å; F287-W291 PolarHBondContact O-N 3.28Å |
| 288 | D | 96.1 | Very high | 95.5 | Very high | 95 Ų | 95 | 99.8 Ų | 99.8 | 51% | 0.508 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.5 | -36.7 | 177 | -84.7 | -13.1 | 0 | 0 | 0 | 112.4 | D284 L285 R292 | D284-D288 PolarHBondContact O-N 3.44Å; L285-D288 PolarHBondContact O-N 3.42Å; D288-R292 WeakPolarHBondContact O-CB 3.33Å; D288-R292 PolarHBondContact O-N 3.36Å |
| 289 | D | 95.8 | Very high | 95.7 | Very high | 78 Ų | 78 | 98.1 Ų | 98.1 | 42% | 0.417 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.5 | -51.7 | 174.6 | -81.8 | -17.2 | 0 | 0 | 0 | 112.5 | L285 F287 R292 E293 | L285-D289 PolarHBondContact O-N 3.34Å; F287-D289 VanDerWaalsContact C-N 3.25Å; F287-D289 PolarHBondContact O-N 2.79Å; D289-R292 PolarHBondContact O-N 2.92Å; D289-R292 IonicContact OD1-CZ 2.67Å; D289-R292 IonicContact OD1-NH1 2.68Å; D289-R292 PolarHBondContact OD1-NH1 2.82Å; D289-R292 IonicContact OD1-NH2 2.99Å; D289-R292 PolarHBondContact OD1-NH2 3.11Å; D289-E293 PolarHBondContact O-N 2.95Å |
| 290 | V | 97.6 | Very high | 95.7 | Very high | 102 Ų | 102 | 96.3 Ų | 96.3 | 62% | 0.618 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66 | -40 | 179.2 | 171.4 | 0 | 0 | 0 | 0 | 111.7 | L286 F287 E293 L294 | L286-V290 WeakPolarHBondContact O-CB 3.31Å; L286-V290 WeakPolarHBondContact O-CG2 3.37Å; L286-V290 PolarHBondContact O-N 3.16Å; F287-V290 PolarHBondContact O-N 2.69Å; V290-E293 PolarHBondContact O-N 2.89Å; V290-L294 WeakPolarHBondContact O-CB 3.38Å; V290-L294 PolarHBondContact O-N 2.87Å |
| 291 | W | 97.3 | Very high | 95.8 | Very high | 131 Ų | 131 | 97.3 Ų | 97.3 | 50% | 0.496 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.8 | -39 | -179.8 | -171.2 | -108.3 | 0 | 0 | 0 | 111.7 | F287 L294 V295 | F287-W291 HydrophobicContact CD1-CB 4.37Å; F287-W291 HydrophobicContact CE1-CB 4.07Å; F287-W291 HydrophobicContact CE1-CD2 4.4Å; F287-W291 HydrophobicContact CE1-CG 4.08Å; F287-W291 HydrophobicContact CE2-CE3 4.36Å; F287-W291 HydrophobicContact CZ-CB 4.27Å; F287-W291 HydrophobicContact CZ-CD2 4.02Å; F287-W291 AromaticContact CZ-CE3 3.97Å; F287-W291 HydrophobicContact CZ-CE3 3.97Å; F287-W291 HydrophobicContact CZ-CG 4.15Å; F287-W291 WeakPolarHBondContact O-CB 3.32Å; F287-W291 PolarHBondContact O-N 3.28Å; W291-L294 HydrophobicContact CE3-CD2 3.9Å; W291-L294 HydrophobicContact CZ3-CD2 3.83Å; W291-L294 PolarHBondContact O-N 2.92Å; W291-V295 HydrophobicContact CD2-CG2 4.38Å; W291-V295 HydrophobicContact CG-CG2 4.45Å; W291-V295 HydrophobicContact CZ2-CG2 4.39Å; W291-V295 WeakPolarHBondContact O-CB 3.25Å; W291-V295 VanDerWaalsContact O-CG2 3.27Å; W291-V295 WeakPolarHBondContact O-CG2 3.48Å; W291-V295 PolarHBondContact O-N 2.94Å |
| 292 | R | 96.7 | Very high | 95.9 | Very high | 129 Ų | 129 | 99.7 Ų | 99.7 | 49% | 0.487 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62 | -44.4 | 174.6 | 179.5 | -176.9 | 63.7 | -113.6 | 2.4 | 112.3 | D288 D289 G296 | D288-R292 WeakPolarHBondContact O-CB 3.33Å; D288-R292 PolarHBondContact O-N 3.36Å; D289-R292 PolarHBondContact O-N 2.92Å; D289-R292 IonicContact OD1-CZ 2.67Å; D289-R292 IonicContact OD1-NH1 2.68Å; D289-R292 PolarHBondContact OD1-NH1 2.82Å; D289-R292 IonicContact OD1-NH2 2.99Å; D289-R292 PolarHBondContact OD1-NH2 3.11Å; R292-G296 PolarHBondContact O-N 3.32Å |
| 293 | E | 96.9 | Very high | 95.8 | Very high | 92 Ų | 92 | 101.6 Ų | 101.6 | 43% | 0.43 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.3 | -43.6 | 176.5 | -62.7 | -54.7 | 126.7 | 0 | 0 | 111.4 | D289 V290 V295 G296 W297 | D289-E293 PolarHBondContact O-N 2.95Å; V290-E293 PolarHBondContact O-N 2.89Å; E293-V295 PolarHBondContact O-N 3.48Å; E293-G296 WeakPolarHBondContact O-CA 3.24Å; E293-G296 PolarHBondContact O-N 3.03Å; E293-G296 VanDerWaalsContact O-N 3.1Å; E293-W297 HydrophobicContact CB-CH2 4.25Å; E293-W297 HydrophobicContact CB-CZ2 3.91Å; E293-W297 VanDerWaalsContact O-CG 3.31Å; E293-W297 PolarHBondContact O-N 2.94Å |
| 294 | L | 97.6 | Very high | 95.6 | Very high | 66 Ų | 66 | 105.6 Ų | 105.6 | 35% | 0.346 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.5 | -47.8 | 175.5 | 177.5 | 62.1 | 0 | 0 | 0 | 112 | V290 W291 G296 W297 M298 | V290-L294 WeakPolarHBondContact O-CB 3.38Å; V290-L294 PolarHBondContact O-N 2.87Å; W291-L294 HydrophobicContact CE3-CD2 3.9Å; W291-L294 HydrophobicContact CZ3-CD2 3.83Å; W291-L294 PolarHBondContact O-N 2.92Å; L294-G296 VanDerWaalsContact C-N 3.27Å; L294-G296 PolarHBondContact O-N 3.36Å; L294-W297 PolarHBondContact O-N 3.33Å; L294-M298 HydrophobicContact CD1-CG 4.33Å; L294-M298 HydrophobicContact CD1-SD 4.29Å; L294-M298 HydrophobicContact CG-SD 4.09Å; L294-M298 WeakPolarHBondContact O-CB 3.3Å; L294-M298 VanDerWaalsContact O-CG 3.3Å; L294-M298 WeakPolarHBondContact O-CG 3.25Å; L294-M298 PolarHBondContact O-N 3.27Å |
| 295 | V | 96.3 | Very high | 95.1 | Very high | 67 Ų | 67 | 108 Ų | 108 | 41% | 0.406 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.5 | -33.4 | 175.9 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | W291 E293 K299 | W291-V295 HydrophobicContact CD2-CG2 4.38Å; W291-V295 HydrophobicContact CG-CG2 4.45Å; W291-V295 HydrophobicContact CZ2-CG2 4.39Å; W291-V295 WeakPolarHBondContact O-CB 3.25Å; W291-V295 VanDerWaalsContact O-CG2 3.27Å; W291-V295 WeakPolarHBondContact O-CG2 3.48Å; W291-V295 PolarHBondContact O-N 2.94Å; E293-V295 PolarHBondContact O-N 3.48Å; V295-K299 VanDerWaalsContact O-CB 3.23Å; V295-K299 WeakPolarHBondContact O-CB 3.25Å; V295-K299 PolarHBondContact O-N 3.24Å |
| 296 | G | 95.8 | Very high | 94.9 | Very high | 29 Ų | 29 | 111.3 Ų | 111.3 | 30% | 0.299 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.5 | -54.2 | 170 | 0 | 0 | 0 | 0 | 0 | 112.3 | R292 E293 L294 M298 K299 E300 | R292-G296 PolarHBondContact O-N 3.32Å; E293-G296 WeakPolarHBondContact O-CA 3.24Å; E293-G296 PolarHBondContact O-N 3.03Å; E293-G296 VanDerWaalsContact O-N 3.1Å; L294-G296 VanDerWaalsContact C-N 3.27Å; L294-G296 PolarHBondContact O-N 3.36Å; G296-M298 PolarHBondContact O-N 3.48Å; G296-K299 WeakPolarHBondContact O-CB 3.22Å; G296-K299 PolarHBondContact O-N 2.66Å; G296-E300 PolarHBondContact O-N 3.37Å |
| 297 | W | 96.3 | Very high | 94.4 | Very high | 164 Ų | 164 | 110.5 Ų | 110.5 | 62% | 0.621 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.1 | -39 | 178.7 | -53.4 | -27.9 | 0 | 0 | 0 | 112.5 | E293 L294 E300 L301 | E293-W297 HydrophobicContact CB-CH2 4.25Å; E293-W297 HydrophobicContact CB-CZ2 3.91Å; E293-W297 VanDerWaalsContact O-CG 3.31Å; E293-W297 PolarHBondContact O-N 2.94Å; L294-W297 PolarHBondContact O-N 3.33Å; W297-E300 PolarHBondContact O-N 2.97Å; W297-L301 VanDerWaalsContact O-CB 3.29Å; W297-L301 WeakPolarHBondContact O-CB 3.27Å; W297-L301 PolarHBondContact O-N 3.45Å |
| 298 | M | 96.3 | Very high | 93 | Very high | 105 Ų | 105 | 108.6 Ų | 108.6 | 52% | 0.517 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 174 | -74.2 | 178 | 68.1 | 0 | 0 | 111.6 | L294 G296 L301 V302 | L294-M298 HydrophobicContact CD1-CG 4.33Å; L294-M298 HydrophobicContact CD1-SD 4.29Å; L294-M298 HydrophobicContact CG-SD 4.09Å; L294-M298 WeakPolarHBondContact O-CB 3.3Å; L294-M298 VanDerWaalsContact O-CG 3.3Å; L294-M298 WeakPolarHBondContact O-CG 3.25Å; L294-M298 PolarHBondContact O-N 3.27Å; G296-M298 PolarHBondContact O-N 3.48Å; M298-L301 PolarHBondContact O-N 2.86Å; M298-V302 WeakPolarHBondContact O-CB 3.28Å; M298-V302 VanDerWaalsContact O-CG2 3.3Å; M298-V302 WeakPolarHBondContact O-CG2 3.46Å; M298-V302 PolarHBondContact O-N 2.85Å |
| 299 | K | 95 | Very high | 91.2 | Very high | 143 Ų | 143 | 106.3 Ų | 106.3 | 62% | 0.622 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.3 | -47.4 | 175 | 179.7 | -169.6 | 171.6 | -167.9 | 0 | 111.1 | V295 G296 L301 V302 Q303 | V295-K299 VanDerWaalsContact O-CB 3.23Å; V295-K299 WeakPolarHBondContact O-CB 3.25Å; V295-K299 PolarHBondContact O-N 3.24Å; G296-K299 WeakPolarHBondContact O-CB 3.22Å; G296-K299 PolarHBondContact O-N 2.66Å; K299-L301 PolarHBondContact O-N 2.68Å; K299-V302 PolarHBondContact O-N 2.88Å; K299-Q303 VanDerWaalsContact O-CB 3.22Å; K299-Q303 WeakPolarHBondContact O-CB 3.36Å; K299-Q303 PolarHBondContact O-N 3.08Å |
| 300 | E | 92.8 | Very high | 89.5 | Confident | 118 Ų | 118 | 105.9 Ų | 105.9 | 55% | 0.551 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.6 | -42.1 | 176.3 | -75.1 | -167.1 | -164.4 | 0 | 0 | 112.1 | G296 W297 Q303 R304 | G296-E300 PolarHBondContact O-N 3.37Å; W297-E300 PolarHBondContact O-N 2.97Å; E300-Q303 PolarHBondContact O-N 2.67Å; E300-R304 WeakPolarHBondContact O-CB 3.39Å; E300-R304 WeakPolarHBondContact O-CG 3.2Å; E300-R304 PolarHBondContact O-N 2.86Å |
| 301 | L | 94.4 | Very high | 87.5 | Confident | 124 Ų | 124 | 104.5 Ų | 104.5 | 65% | 0.649 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64 | -45.3 | 178.3 | -177.6 | 63.3 | 0 | 0 | 0 | 112.1 | W297 M298 K299 R304 H305 | W297-L301 VanDerWaalsContact O-CB 3.29Å; W297-L301 WeakPolarHBondContact O-CB 3.27Å; W297-L301 PolarHBondContact O-N 3.45Å; M298-L301 PolarHBondContact O-N 2.86Å; K299-L301 PolarHBondContact O-N 2.68Å; L301-R304 PolarHBondContact O-N 3.39Å; L301-H305 WeakPolarHBondContact O-CB 3.43Å; L301-H305 PolarHBondContact O-N 3.4Å |
| 302 | V | 93.9 | Very high | 85.4 | Confident | 99 Ų | 99 | 106 Ų | 106 | 60% | 0.6 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.2 | -41.8 | 176.1 | 170.4 | 0 | 0 | 0 | 0 | 111 | M298 K299 H305 W306 | M298-V302 WeakPolarHBondContact O-CB 3.28Å; M298-V302 VanDerWaalsContact O-CG2 3.3Å; M298-V302 WeakPolarHBondContact O-CG2 3.46Å; M298-V302 PolarHBondContact O-N 2.85Å; K299-V302 PolarHBondContact O-N 2.88Å; V302-H305 PolarHBondContact O-N 3.32Å; V302-W306 WeakPolarHBondContact O-CB 3.49Å; V302-W306 PolarHBondContact O-N 3.26Å |
| 303 | Q | 93.8 | Very high | 83.4 | Confident | 92 Ų | 92 | 103.6 Ų | 103.6 | 43% | 0.43 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.8 | -48.8 | 175.9 | -179.7 | 170.1 | -10.9 | 0 | 0 | 111.3 | K299 E300 H305 W306 E307 | K299-Q303 VanDerWaalsContact O-CB 3.22Å; K299-Q303 WeakPolarHBondContact O-CB 3.36Å; K299-Q303 PolarHBondContact O-N 3.08Å; E300-Q303 PolarHBondContact O-N 2.67Å; Q303-H305 VanDerWaalsContact C-N 3.33Å; Q303-H305 PolarHBondContact O-N 2.9Å; Q303-W306 PolarHBondContact O-N 3.06Å; Q303-E307 HydrophobicContact CG-CG 4.31Å; Q303-E307 WeakPolarHBondContact CG-OE1 3.43Å; Q303-E307 PolarHBondContact NE2-OE1 2.8Å; Q303-E307 WeakPolarHBondContact O-CB 3.39Å; Q303-E307 VanDerWaalsContact O-CG 3.31Å; Q303-E307 WeakPolarHBondContact O-CG 3.24Å; Q303-E307 PolarHBondContact O-N 3.18Å |
| 304 | R | 90 | Very high | 81.3 | Confident | 164 Ų | 164 | 103 Ų | 103 | 62% | 0.619 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -56.8 | -44.8 | 174.4 | -71.1 | -79.6 | -170.9 | 106.2 | 13.6 | 111.6 | E300 L301 C308 | E300-R304 WeakPolarHBondContact O-CB 3.39Å; E300-R304 WeakPolarHBondContact O-CG 3.2Å; E300-R304 PolarHBondContact O-N 2.86Å; L301-R304 PolarHBondContact O-N 3.39Å; R304-C308 VanDerWaalsContact O-CB 3.25Å; R304-C308 WeakPolarHBondContact O-CB 3.25Å; R304-C308 PolarHBondContact O-N 3.28Å; R304-C308 PolarHBondContact O-SG 3.02Å; R304-C308 VanDerWaalsContact O-SG 3.34Å |
| 305 | H | 87.4 | Confident | 79.3 | Confident | 126 Ų | 126 | 108.4 Ų | 108.4 | 58% | 0.583 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.1 | -47.9 | 177.4 | -177.5 | -96.5 | 0 | 0 | 0 | 111.3 | L301 V302 Q303 C308 C309 | L301-H305 WeakPolarHBondContact O-CB 3.43Å; L301-H305 PolarHBondContact O-N 3.4Å; V302-H305 PolarHBondContact O-N 3.32Å; Q303-H305 VanDerWaalsContact C-N 3.33Å; Q303-H305 PolarHBondContact O-N 2.9Å; H305-C308 PolarHBondContact O-N 3.38Å; H305-C309 WeakPolarHBondContact O-CB 3.22Å; H305-C309 PolarHBondContact O-N 3.43Å; H305-C309 PolarHBondContact O-SG 2.93Å |
| 306 | W | 88.9 | Confident | 77.1 | Confident | 184 Ų | 184 | 108.2 Ų | 108.2 | 70% | 0.697 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.3 | -42.9 | 179.1 | -170.3 | -103 | 0 | 0 | 0 | 113.1 | V302 Q303 C309 T310 | V302-W306 WeakPolarHBondContact O-CB 3.49Å; V302-W306 PolarHBondContact O-N 3.26Å; Q303-W306 PolarHBondContact O-N 3.06Å; W306-C309 PolarHBondContact O-N 3.45Å; W306-T310 WeakPolarHBondContact O-CB 3.23Å; W306-T310 WeakPolarHBondContact O-CG2 3.42Å; W306-T310 PolarHBondContact O-N 2.89Å; W306-T310 PolarHBondContact O-OG1 2.97Å |
| 307 | E | 86.9 | Confident | 75 | Confident | 92 Ų | 92 | 111.9 Ų | 111.9 | 43% | 0.43 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.9 | -39.6 | 175.4 | -72.1 | 171.9 | 179.6 | 0 | 0 | 112 | Q303 T310 S311 | Q303-E307 HydrophobicContact CG-CG 4.31Å; Q303-E307 WeakPolarHBondContact CG-OE1 3.43Å; Q303-E307 PolarHBondContact NE2-OE1 2.8Å; Q303-E307 WeakPolarHBondContact O-CB 3.39Å; Q303-E307 VanDerWaalsContact O-CG 3.31Å; Q303-E307 WeakPolarHBondContact O-CG 3.24Å; Q303-E307 PolarHBondContact O-N 3.18Å; E307-T310 WeakPolarHBondContact CA-OG1 3.19Å; E307-T310 PolarHBondContact O-OG1 3.13Å; E307-S311 VanDerWaalsContact O-CB 3.24Å; E307-S311 WeakPolarHBondContact O-CB 3.48Å; E307-S311 PolarHBondContact O-N 3.23Å; E307-S311 PolarHBondContact O-OG 3.17Å |
| 308 | C | 67.1 | Low | 72.8 | Confident | 81 Ų | 81 | 109.3 Ų | 109.3 | 55% | 0.547 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.5 | -41.6 | 173 | -76.5 | 0 | 0 | 0 | 0 | 112.4 | R304 H305 S311 R312 | R304-C308 VanDerWaalsContact O-CB 3.25Å; R304-C308 WeakPolarHBondContact O-CB 3.25Å; R304-C308 PolarHBondContact O-N 3.28Å; R304-C308 PolarHBondContact O-SG 3.02Å; R304-C308 VanDerWaalsContact O-SG 3.34Å; H305-C308 PolarHBondContact O-N 3.38Å; C308-S311 PolarHBondContact O-OG 3.3Å; C308-R312 WeakPolarHBondContact O-CB 3.5Å; C308-R312 PolarHBondContact O-N 3.32Å |
| 309 | C | 59.2 | Low | 70.7 | Confident | 47 Ų | 47 | 106.8 Ų | 106.8 | 32% | 0.318 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.9 | -48.8 | 175.7 | -75.1 | 0 | 0 | 0 | 0 | 111.8 | H305 W306 R312 N313 | H305-C309 WeakPolarHBondContact O-CB 3.22Å; H305-C309 PolarHBondContact O-N 3.43Å; H305-C309 PolarHBondContact O-SG 2.93Å; W306-C309 PolarHBondContact O-N 3.45Å; C309-R312 PolarHBondContact O-N 3.42Å; C309-N313 VanDerWaalsContact O-CB 3.28Å; C309-N313 WeakPolarHBondContact O-CB 3.06Å; C309-N313 PolarHBondContact O-N 2.82Å; C309-N313 PolarHBondContact O-ND2 3.39Å; C309-N313 PolarHBondContact O-OD1 2.92Å |
| 310 | T | 58.9 | Low | 68.8 | Low | 69 Ų | 69 | 102.9 Ų | 102.9 | 42% | 0.423 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66 | -45.3 | -179.4 | 48.9 | 0 | 0 | 0 | 0 | 112.4 | W306 E307 N313 A314 | W306-T310 WeakPolarHBondContact O-CB 3.23Å; W306-T310 WeakPolarHBondContact O-CG2 3.42Å; W306-T310 PolarHBondContact O-N 2.89Å; W306-T310 PolarHBondContact O-OG1 2.97Å; E307-T310 WeakPolarHBondContact CA-OG1 3.19Å; E307-T310 PolarHBondContact O-OG1 3.13Å; T310-N313 PolarHBondContact O-N 3.2Å; T310-A314 PolarHBondContact O-N 2.78Å |
| 311 | S | 57.1 | Low | 66.8 | Low | 72 Ų | 72 | 102.2 Ų | 102.2 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68 | -33.8 | 177.4 | 61.2 | 0 | 0 | 0 | 0 | 113.6 | E307 C308 | E307-S311 VanDerWaalsContact O-CB 3.24Å; E307-S311 WeakPolarHBondContact O-CB 3.48Å; E307-S311 PolarHBondContact O-N 3.23Å; E307-S311 PolarHBondContact O-OG 3.17Å; C308-S311 PolarHBondContact O-OG 3.3Å |
| 312 | R | 53.1 | Low | 64.9 | Low | 162 Ų | 162 | 104.2 Ų | 104.2 | 61% | 0.611 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -68.9 | -45.7 | 172.2 | -177.9 | 168.6 | 172.1 | 138.8 | -11.9 | 111 | C308 C309 A314 K315 Q316 | C308-R312 WeakPolarHBondContact O-CB 3.5Å; C308-R312 PolarHBondContact O-N 3.32Å; C309-R312 PolarHBondContact O-N 3.42Å; R312-A314 VanDerWaalsContact C-N 3.29Å; R312-A314 PolarHBondContact O-N 2.99Å; R312-K315 CarbonylContact O-C 3.52Å; R312-K315 PolarHBondContact O-N 3.17Å; R312-Q316 WeakPolarHBondContact O-CB 3.41Å; R312-Q316 PolarHBondContact O-N 2.62Å |
| 313 | N | 52.8 | Low | 62.8 | Low | 80 Ų | 80 | 108.6 Ų | 108.6 | 43% | 0.428 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -57.5 | -41.5 | 177 | -73.1 | -10.3 | 0 | 0 | 0 | 111.4 | C309 T310 K315 Q316 I317 | C309-N313 VanDerWaalsContact O-CB 3.28Å; C309-N313 WeakPolarHBondContact O-CB 3.06Å; C309-N313 PolarHBondContact O-N 2.82Å; C309-N313 PolarHBondContact O-ND2 3.39Å; C309-N313 PolarHBondContact O-OD1 2.92Å; T310-N313 PolarHBondContact O-N 3.2Å; N313-K315 PolarHBondContact O-N 3.44Å; N313-Q316 PolarHBondContact O-N 3.41Å; N313-I317 HydrophobicContact CB-CD1 4.13Å; N313-I317 HydrophobicContact CB-CG1 4.38Å; N313-I317 WeakPolarHBondContact O-CB 3.21Å; N313-I317 WeakPolarHBondContact O-CD1 3.4Å; N313-I317 WeakPolarHBondContact O-CG1 3.49Å; N313-I317 PolarHBondContact O-N 3.48Å |
| 314 | A | 54.1 | Low | 60.6 | Low | 79 Ų | 79 | 107.7 Ų | 107.7 | 65% | 0.653 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -56.1 | -24 | 175 | 0 | 0 | 0 | 0 | 0 | 114.5 | T310 R312 | T310-A314 PolarHBondContact O-N 2.78Å; R312-A314 VanDerWaalsContact C-N 3.29Å; R312-A314 PolarHBondContact O-N 2.99Å |
| 315 | K | 54.8 | Low | 58.8 | Low | 180 Ų | 180 | 106.8 Ų | 106.8 | 78% | 0.783 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -106.6 | -3.6 | 175.2 | -66 | -177.9 | 179.8 | 177.7 | 0 | 114.3 | R312 N313 | R312-K315 CarbonylContact O-C 3.52Å; R312-K315 PolarHBondContact O-N 3.17Å; N313-K315 PolarHBondContact O-N 3.44Å |
| 316 | Q | 50.1 | Low | 56.8 | Low | 63 Ų | 63 | 103.3 Ų | 103.3 | 29% | 0.294 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -117.3 | -15.4 | -178.8 | -117.9 | 177.5 | -13.6 | 0 | 0 | 114.3 | R312 N313 S318 A319 I320 | R312-Q316 WeakPolarHBondContact O-CB 3.41Å; R312-Q316 PolarHBondContact O-N 2.62Å; N313-Q316 PolarHBondContact O-N 3.41Å; Q316-S318 PolarHBondContact O-N 3.36Å; Q316-A319 PolarHBondContact O-N 3.19Å; Q316-I320 HydrophobicContact CB-CD1 3.77Å; Q316-I320 HydrophobicContact CB-CG1 4.2Å; Q316-I320 HydrophobicContact CG-CD1 3.87Å; Q316-I320 HydrophobicContact CG-CG1 4.07Å; Q316-I320 WeakPolarHBondContact O-CG1 3.37Å; Q316-I320 PolarHBondContact O-N 3.16Å |
| 317 | I | 52.4 | Low | 55.1 | Low | 105 Ų | 105 | 101.1 Ų | 101.1 | 54% | 0.538 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -57.8 | -35 | 174.5 | -78.2 | 162.2 | 0 | 0 | 0 | 111.9 | N313 A319 | N313-I317 HydrophobicContact CB-CD1 4.13Å; N313-I317 HydrophobicContact CB-CG1 4.38Å; N313-I317 WeakPolarHBondContact O-CB 3.21Å; N313-I317 WeakPolarHBondContact O-CD1 3.4Å; N313-I317 WeakPolarHBondContact O-CG1 3.49Å; N313-I317 PolarHBondContact O-N 3.48Å; I317-A319 VanDerWaalsContact C-N 3.26Å; I317-A319 PolarHBondContact O-N 3.4Å |
| 318 | S | 50.8 | Low | 53 | Low | 110 Ų | 110 | 104.3 Ų | 104.3 | 77% | 0.769 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -71.5 | -13.6 | 174.5 | 54.2 | 0 | 0 | 0 | 0 | 114.7 | Q316 | Q316-S318 PolarHBondContact O-N 3.36Å |
| 319 | A | 51.9 | Low | 51.9 | Low | 52 Ų | 52 | 105.8 Ų | 105.8 | 43% | 0.43 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -119.5 | -21.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q316 I317 | Q316-A319 PolarHBondContact O-N 3.19Å; I317-A319 VanDerWaalsContact C-N 3.26Å; I317-A319 PolarHBondContact O-N 3.4Å |
| 320 | I | 54.8 | Low | 50.8 | Low | 61 Ų | 61 | 107.6 Ų | 107.6 | 31% | 0.313 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -88.3 | -37.4 | -178.2 | -67.8 | 177.9 | 0 | 0 | 0 | 112.1 | Q316 L322 R323 T324 | Q316-I320 HydrophobicContact CB-CD1 3.77Å; Q316-I320 HydrophobicContact CB-CG1 4.2Å; Q316-I320 HydrophobicContact CG-CD1 3.87Å; Q316-I320 HydrophobicContact CG-CG1 4.07Å; Q316-I320 WeakPolarHBondContact O-CG1 3.37Å; Q316-I320 PolarHBondContact O-N 3.16Å; I320-L322 PolarHBondContact O-N 2.97Å; I320-R323 PolarHBondContact O-N 3.05Å; I320-T324 HydrophobicContact CG2-CG2 3.81Å; I320-T324 PolarHBondContact O-N 3.37Å; I320-T324 VanDerWaalsContact O-N 3.1Å; I320-T324 PolarHBondContact O-OG1 3.48Å |
| 321 | N | 50.8 | Low | 49.8 | Very low | 105 Ų | 105 | 112.4 Ų | 112.4 | 56% | 0.561 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -22.4 | -175.2 | -77.2 | -6.2 | 0 | 0 | 0 | 114.2 | | |
| 322 | L | 53.6 | Low | 48.9 | Very low | 165 Ų | 165 | 114.5 Ų | 114.5 | 86% | 0.864 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | 0.6 | 175.5 | -134.7 | 76.2 | 0 | 0 | 0 | 114.2 | I320 | I320-L322 PolarHBondContact O-N 2.97Š|
| 323 | R | 51.5 | Low | 48.3 | Very low | 191 Ų | 191 | 111.7 Ų | 111.7 | 72% | 0.721 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.4 | -34.6 | -175.1 | -72.2 | -175.6 | 173.1 | -178.7 | -1 | 114.3 | I320 G326 | I320-R323 PolarHBondContact O-N 3.05Å; R323-G326 PolarHBondContact O-N 3.48Å |
| 324 | T | 47.3 | Very low | 47.4 | Very low | 74 Ų | 74 | 112.5 Ų | 112.5 | 45% | 0.454 | 66% | 0.663 | S | S | . | * | G | 310 helix | trans | -66.7 | -36.1 | 175.8 | 31.9 | 0 | 0 | 0 | 0 | 112.8 | I320 G326 L327 | I320-T324 HydrophobicContact CG2-CG2 3.81Å; I320-T324 PolarHBondContact O-N 3.37Å; I320-T324 VanDerWaalsContact O-N 3.1Å; I320-T324 PolarHBondContact O-OG1 3.48Å; T324-G326 PolarHBondContact O-N 3.46Å; T324-L327 PolarHBondContact O-N 3.14Å |
| 325 | L | 50.9 | Low | 46.7 | Very low | 144 Ų | 144 | 116.1 Ų | 116.1 | 75% | 0.754 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -66.8 | -21.5 | 176.5 | -64.4 | 176.9 | 0 | 0 | 0 | 113.5 | | |
| 326 | G | 46.9 | Very low | 45.8 | Very low | 54 Ų | 54 | 113 Ų | 113 | 56% | 0.557 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -87.5 | -10.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | R323 T324 | R323-G326 PolarHBondContact O-N 3.48Å; T324-G326 PolarHBondContact O-N 3.46Å |
| 327 | L | 51.7 | Low | 45.1 | Very low | 137 Ų | 137 | 119 Ų | 119 | 72% | 0.717 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.3 | -7.1 | -171.5 | -74.5 | 169.3 | 0 | 0 | 0 | 114.6 | T324 | T324-L327 PolarHBondContact O-N 3.14Š|
| 328 | L | 42.7 | Very low | 44.6 | Very low | 160 Ų | 160 | 120 Ų | 120 | 84% | 0.838 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -92.2 | 4 | 177.3 | -65.7 | 174.1 | 0 | 0 | 0 | 113.6 | | |
| 329 | S | 43.8 | Very low | 43.6 | Very low | 111 Ų | 111 | 118.5 Ų | 118.5 | 78% | 0.776 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -110.3 | 7.6 | -171.8 | -149.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 330 | S | 37.6 | Very low | 42.8 | Very low | 86 Ų | 86 | 125.6 Ų | 125.6 | 60% | 0.601 | 73% | 0.733 | S | S | * | * | | | trans | -146.8 | 83.5 | -175.2 | 48.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 331 | L | 36.3 | Very low | 41.6 | Very low | 169 Ų | 169 | 128 Ų | 128 | 89% | 0.885 | 76% | 0.756 | S | S | * | * | | | trans | -114.7 | 99.6 | 170.8 | -169.6 | 78.2 | 0 | 0 | 0 | 110.8 | | |
| 332 | P | 38.3 | Very low | 40.7 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | | | trans | -83.2 | 121.4 | 169.4 | -2.6 | 21.4 | 0 | 0 | 0 | 109.9 | A334 | P332-A334 PolarHBondContact O-N 3.01Š|
| 333 | A | 40.3 | Very low | 39.8 | Very low | 103 Ų | 103 | 132.9 Ų | 132.9 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | | | trans | -84.5 | 109.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 334 | A | 34.8 | Very low | 39.1 | Very low | 98 Ų | 98 | 129 Ų | 129 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | | | trans | -154.7 | 124.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | P332 | P332-A334 PolarHBondContact O-N 3.01Š|
| 335 | L | 39.3 | Very low | 38.9 | Very low | 155 Ų | 155 | 131.6 Ų | 131.6 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | | | trans | -105.2 | 127 | 173.9 | 171.8 | 69.7 | 0 | 0 | 0 | 110.1 | | |
| 336 | P | 36.8 | Very low | 38 | Very low | 114 Ų | 114 | 132.9 Ų | 132.9 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 139.7 | 162.4 | 33.8 | -28.3 | 0 | 0 | 0 | 112.2 | | |
| 337 | K | 34.1 | Very low | 37.2 | Very low | 188 Ų | 188 | 136.3 Ų | 136.3 | 82% | 0.817 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 167.9 | 169.8 | -104.3 | -178.9 | 178.6 | 178.2 | 0 | 110.7 | | |
| 338 | P | 42.6 | Very low | 36 | Very low | 128 Ų | 128 | 135 Ų | 135 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 149.6 | -153.5 | 30 | -37 | 0 | 0 | 0 | 116.1 | | |
| 339 | G | 29.7 | Very low | 35.3 | Very low | 77 Ų | 77 | 130.7 Ų | 130.7 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 162.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 340 | Q | 34.4 | Very low | 34.8 | Very low | 201 Ų | 201 | 134.3 Ų | 134.3 | 94% | 0.939 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -93 | 161.2 | -163.8 | -65.3 | -179.3 | -6.7 | 0 | 0 | 115.5 | | |
| 341 | S | 29.6 | Very low | 34.5 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 134.6 | 176.7 | 176.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 342 | R | 32.1 | Very low | 34.1 | Very low | 243 Ų | 243 | 135.8 Ų | 135.8 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | | | trans | -157 | 152.7 | 145.2 | -114.7 | 171 | -169.6 | 169 | 5.1 | 112.1 | | |
| 343 | V | 35.7 | Very low | 33.7 | Very low | 128 Ų | 128 | 137.8 Ų | 137.8 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 141 | -172.7 | -179 | 0 | 0 | 0 | 0 | 110.8 | | |
| 344 | P | 36.8 | Very low | 33.1 | Very low | 111 Ų | 111 | 139 Ų | 139 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 144.2 | 174.8 | 34.6 | -34.1 | 0 | 0 | 0 | 113.1 | | |
| 345 | P | 42.1 | Very low | 32.8 | Very low | 127 Ų | 127 | 139.5 Ų | 139.5 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -88 | 154.2 | 167.6 | 34.8 | -32.9 | 0 | 0 | 0 | 112.7 | | |
| 346 | L | 31.7 | Very low | 32.3 | Very low | 172 Ų | 172 | 135.2 Ų | 135.2 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | | | trans | -109.3 | 144.8 | 171.8 | -67.1 | 164.7 | 0 | 0 | 0 | 110 | | |
| 347 | T | 30.3 | Very low | 31.9 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | | | trans | -175.7 | 149.2 | 143.6 | -178.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 348 | S | 27.6 | Very low | 31.8 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | | | trans | 41.9 | 137.1 | 149.4 | 57.2 | 0 | 0 | 0 | 0 | 122.2 | | |
| 349 | G | 27.9 | Very low | 31.3 | Very low | 69 Ų | 69 | 144.3 Ų | 144.3 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | | | cis | 138.4 | 146.3 | -5.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 350 | Q | 32.1 | Very low | 31.3 | Very low | 188 Ų | 188 | 146.7 Ų | 146.7 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | | | trans | 66.7 | 155.3 | 164.8 | -76.2 | 173.8 | -8.9 | 0 | 0 | 117.3 | | |
| 351 | Q | 31 | Very low | 31.2 | Very low | 152 Ų | 152 | 141.5 Ų | 141.5 | 71% | 0.71 | 79% | 0.786 | S | S | * | * | | | cis | -165.7 | 135.2 | -10.1 | 159.8 | 176.3 | -30.1 | 0 | 0 | 113.9 | | |
| 352 | L | 28.4 | Very low | 31.4 | Very low | 133 Ų | 133 | 143.9 Ų | 143.9 | 70% | 0.696 | 79% | 0.789 | S | S | * | * | | | trans | 67.3 | 155.1 | 150.6 | -151.1 | 66 | 0 | 0 | 0 | 122.8 | | |
| 353 | Q | 31.1 | Very low | 31.2 | Very low | 158 Ų | 158 | 137.9 Ų | 137.9 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | | | trans | 84.4 | 146.9 | 172.9 | -46.8 | -62.9 | 12.1 | 0 | 0 | 115.5 | | |
| 354 | V | 27 | Very low | 31.6 | Very low | 129 Ų | 129 | 139.1 Ų | 139.1 | 78% | 0.782 | 79% | 0.786 | S | S | * | * | | | cis | -149.2 | -177.9 | -3.1 | 89.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 355 | S | 27.6 | Very low | 31.4 | Very low | 108 Ų | 108 | 142.8 Ų | 142.8 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | | | trans | -59.2 | 150.9 | 172.8 | -172.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 356 | G | 28.8 | Very low | 31.2 | Very low | 66 Ų | 66 | 144.8 Ų | 144.8 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | | | cis | 164.8 | -174.9 | -4.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 357 | V | 30.2 | Very low | 31.5 | Very low | 136 Ų | 136 | 144.8 Ų | 144.8 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | | | trans | 61.2 | 88.4 | 164.2 | -165.3 | 0 | 0 | 0 | 0 | 119.2 | | |
| 358 | R | 32 | Very low | 31.4 | Very low | 245 Ų | 245 | 142.1 Ų | 142.1 | 93% | 0.925 | 78% | 0.781 | S | S | * | * | | | | -165.6 | 163.6 | 115 | -106.6 | 172.2 | -172.3 | -165.6 | 1.6 | 112.3 | | |
| 359 | R | 30.3 | Very low | 31.9 | Very low | 239 Ų | 239 | 143.2 Ų | 143.2 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | | | trans | -78.8 | 156.9 | -178.3 | -46.8 | 172.6 | -156.6 | 140 | 5.6 | 108.6 | | |
| 360 | T | 31.6 | Very low | 32.4 | Very low | 127 Ų | 127 | 145.2 Ų | 145.2 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | | | | -156.1 | 171.4 | 63.4 | 50.8 | 0 | 0 | 0 | 0 | 115.3 | | |
| 361 | S | 31.9 | Very low | 32.6 | Very low | 93 Ų | 93 | 144.3 Ų | 144.3 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | | | trans | 69.9 | 115.6 | 148.3 | 49.6 | 0 | 0 | 0 | 0 | 121.2 | | |
| 362 | N | 32.9 | Very low | 32.7 | Very low | 163 Ų | 163 | 141.9 Ų | 141.9 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | | | trans | 78.7 | 75.2 | 136.9 | -55.7 | 3.5 | 0 | 0 | 0 | 118.7 | | |
| 363 | S | 28.5 | Very low | 33.1 | Very low | 116 Ų | 116 | 144 Ų | 144 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | | | trans | -101 | 112.3 | 162.2 | 57.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 364 | L | 43 | Very low | 32.9 | Very low | 155 Ų | 155 | 144.9 Ų | 144.9 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | | | trans | -153.5 | 95.8 | 137.3 | -153 | 70.9 | 0 | 0 | 0 | 110.6 | | |
| 365 | K | 32.8 | Very low | 33.2 | Very low | 187 Ų | 187 | 149.8 Ų | 149.8 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | | | trans | -100.4 | 135.7 | 160.9 | -67.2 | -178.3 | 179.6 | -179.7 | 0 | 107.5 | | |
| 366 | H | 38.1 | Very low | 33.2 | Very low | 169 Ų | 169 | 149.9 Ų | 149.9 | 78% | 0.782 | 80% | 0.803 | S | S | * | * | | | trans | -122.4 | 128.3 | 151.9 | -80.1 | 96.4 | 0 | 0 | 0 | 107.6 | | |
| 367 | Q | 37.4 | Very low | 33.3 | Very low | 173 Ų | 173 | 152.7 Ų | 152.7 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | | | trans | -75.1 | 146.8 | -175.9 | -150.5 | 87.1 | -13.6 | 0 | 0 | 109.5 | | |
| 368 | G | 30.3 | Very low | 33.4 | Very low | 69 Ų | 69 | 153.3 Ų | 153.3 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | | | trans | -78.2 | 169.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 369 | V | 36.3 | Very low | 33.2 | Very low | 132 Ų | 132 | 149 Ų | 149 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | | | trans | -123 | 128.8 | 167.5 | 178 | 0 | 0 | 0 | 0 | 107.9 | | |
| 370 | P | 39.7 | Very low | 33.2 | Very low | 111 Ų | 111 | 147 Ų | 147 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | | | trans | -78.2 | 137.6 | 175.8 | 31.9 | -33.2 | 0 | 0 | 0 | 110.7 | | |
| 371 | I | 35 | Very low | 33.1 | Very low | 170 Ų | 170 | 148.4 Ų | 148.4 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | | | trans | -96.6 | 103 | 168.4 | -59.8 | 179.6 | 0 | 0 | 0 | 107.8 | | |
| 372 | S | 33.7 | Very low | 32.8 | Very low | 100 Ų | 100 | 154.7 Ų | 154.7 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | | | trans | -69.8 | 142.8 | 171 | -65 | 0 | 0 | 0 | 0 | 110.8 | E374 | S372-E374 PolarHBondContact O-N 3.43Š|
| 373 | L | 36.8 | Very low | 32.5 | Very low | 179 Ų | 179 | 159.1 Ų | 159.1 | 94% | 0.937 | 80% | 0.802 | S | S | * | * | | | trans | -77.1 | 83.7 | 175.8 | -173.1 | 76.6 | 0 | 0 | 0 | 110.4 | | |
| 374 | E | 28 | Very low | 32.6 | Very low | 175 Ų | 175 | 160.5 Ų | 160.5 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | -80.4 | 123 | -177 | -168.6 | 163.6 | -123.8 | 0 | 0 | 112.6 | S372 S376 | S372-E374 PolarHBondContact O-N 3.43Å; E374-S376 PolarHBondContact O-N 3.23Å |
| 375 | R | 31.6 | Very low | 32.4 | Very low | 232 Ų | 232 | 158.2 Ų | 158.2 | 88% | 0.875 | 80% | 0.795 | S | S | * | * | | | trans | -82.8 | 100.4 | 168.8 | -79 | -178.6 | 169.1 | 132.7 | -7.2 | 109.5 | V377 | R375-V377 VanDerWaalsContact C-N 3.34Å; R375-V377 PolarHBondContact O-N 3.48Å |
| 376 | S | 28.2 | Very low | 32.4 | Very low | 110 Ų | 110 | 157.6 Ų | 157.6 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | trans | -78 | 79.4 | 171.2 | 43.7 | 0 | 0 | 0 | 0 | 112.1 | E374 L378 | E374-S376 PolarHBondContact O-N 3.23Å; S376-L378 PolarHBondContact O-N 3.26Å |
| 377 | V | 32.1 | Very low | 32.1 | Very low | 126 Ų | 126 | 156 Ų | 156 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | | | trans | -73.3 | 114.3 | 156.4 | 175.7 | 0 | 0 | 0 | 0 | 107.3 | R375 | R375-V377 VanDerWaalsContact C-N 3.34Å; R375-V377 PolarHBondContact O-N 3.48Å |
| 378 | L | 31.7 | Very low | 32 | Very low | 149 Ų | 149 | 157.8 Ų | 157.8 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | | | trans | -106.7 | 88.6 | 177.3 | -154.2 | 83.2 | 0 | 0 | 0 | 110.6 | S376 | S376-L378 PolarHBondContact O-N 3.26Š|
| 379 | E | 27.9 | Very low | 32.4 | Very low | 155 Ų | 155 | 159.9 Ų | 159.9 | 72% | 0.724 | 79% | 0.788 | S | S | * | * | | | trans | -67.3 | 139.3 | 155 | -72.7 | -163.9 | 167.6 | 0 | 0 | 109.1 | | |
| 380 | F | 30.2 | Very low | 31.9 | Very low | 197 Ų | 197 | 158 Ų | 158 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | | | trans | -135 | 141.6 | 154.9 | -125.6 | -87.6 | 0 | 0 | 0 | 110.4 | | |
| 381 | K | 28.4 | Very low | 31.5 | Very low | 156 Ų | 156 | 161.6 Ų | 161.6 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | | | trans | -121.3 | 120 | -147.7 | -170.6 | 168.1 | -174.4 | 162.6 | 0 | 113.2 | | |
| 382 | R | 26.2 | Very low | 31.7 | Very low | 225 Ų | 225 | 164.4 Ų | 164.4 | 85% | 0.849 | 79% | 0.788 | S | S | * | * | | | trans | 52 | 123.2 | 163.6 | -62.3 | -175.4 | -173.7 | 179.1 | 1.3 | 118.5 | | |
| 383 | R | 26.3 | Very low | 32 | Very low | 255 Ų | 255 | 165.3 Ų | 165.3 | 96% | 0.962 | 79% | 0.791 | S | S | * | * | | | | -148 | 133.9 | 127.2 | -129.2 | 174.3 | -172.5 | 154.7 | 2.4 | 110.5 | | |
| 384 | D | 30.4 | Very low | 31.6 | Very low | 146 Ų | 146 | 162.5 Ų | 162.5 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | | | trans | -125.5 | 162.7 | 168.3 | -117.8 | -36.5 | 0 | 0 | 0 | 105.1 | | |
| 385 | P | 39.5 | Very low | 31.8 | Very low | 106 Ų | 106 | 159.5 Ų | 159.5 | 69% | 0.688 | 78% | 0.78 | S | S | * | * | | | cis | -140.7 | 170.7 | 37.4 | 42.4 | -24.9 | 0 | 0 | 0 | 117.8 | | |
| 386 | E | 33.3 | Very low | 31.6 | Very low | 175 Ų | 175 | 154.2 Ų | 154.2 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | 59.9 | 151.7 | 156.2 | -71.3 | -174.6 | 131.2 | 0 | 0 | 118.6 | | |
| 387 | E | 30.7 | Very low | 31.6 | Very low | 135 Ų | 135 | 153.4 Ų | 153.4 | 63% | 0.631 | 78% | 0.778 | S | S | * | * | | | cis | -151.3 | 136.7 | 7.4 | -153.8 | -153.2 | 141.3 | 0 | 0 | 112 | | |
| 388 | R | 35.3 | Very low | 32 | Very low | 211 Ų | 211 | 155.3 Ų | 155.3 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | | | trans | 57 | 166.9 | 154.9 | -80.3 | -172.8 | -179.1 | 91.7 | 5.4 | 120.4 | | |
| 389 | P | 38 | Very low | 32.6 | Very low | 112 Ų | 112 | 154.2 Ų | 154.2 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | trans | -117 | 168.1 | -150.9 | 42.7 | -34.9 | 0 | 0 | 0 | 116.4 | | |
| 390 | S | 27.1 | Very low | 32.8 | Very low | 94 Ų | 94 | 152.1 Ų | 152.1 | 66% | 0.657 | 79% | 0.787 | S | S | * | * | | | | 167.2 | 156.9 | 106.2 | 59.4 | 0 | 0 | 0 | 0 | 116.9 | | |
| 391 | H | 31.4 | Very low | 32.6 | Very low | 185 Ų | 185 | 148.5 Ų | 148.5 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | | | trans | 68.5 | 159.4 | 156 | -61.2 | -52.2 | 0 | 0 | 0 | 122.7 | | |
| 392 | R | 39.1 | Very low | 33.1 | Very low | 230 Ų | 230 | 150.9 Ų | 150.9 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | | | trans | -81.7 | 156.9 | -177.6 | -60.4 | 171.8 | 173.5 | 157.9 | -5.5 | 111.5 | | |
| 393 | P | 39.6 | Very low | 33.8 | Very low | 119 Ų | 119 | 146.2 Ų | 146.2 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | | -135.5 | 164.4 | 101.9 | 39.6 | -29.3 | 0 | 0 | 0 | 111.4 | | |
| 394 | V | 28.1 | Very low | 34.2 | Very low | 120 Ų | 120 | 144.1 Ų | 144.1 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | cis | 76.3 | 104.5 | 35.5 | -175.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 395 | S | 31.6 | Very low | 34.9 | Very low | 112 Ų | 112 | 142.2 Ų | 142.2 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | | | trans | 23.3 | 133.5 | 152.6 | -52.1 | 0 | 0 | 0 | 0 | 122.1 | | |
| 396 | S | 28.6 | Very low | 34.6 | Very low | 121 Ų | 121 | 148.3 Ų | 148.3 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | | | | 178.9 | 171.4 | 120.3 | 49.2 | 0 | 0 | 0 | 0 | 115.1 | | |
| 397 | A | 28.7 | Very low | 34.9 | Very low | 93 Ų | 93 | 151.2 Ų | 151.2 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | trans | 78.1 | 94.1 | 149.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 398 | I | 39.8 | Very low | 34.8 | Very low | 166 Ų | 166 | 148.5 Ų | 148.5 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | | | trans | -74.9 | 142.6 | 149.5 | -68.9 | 155.9 | 0 | 0 | 0 | 107.9 | | |
| 399 | P | 43.6 | Very low | 34.6 | Very low | 125 Ų | 125 | 146.2 Ų | 146.2 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | | | | -148.5 | 157.6 | 99 | 37.1 | -17.9 | 0 | 0 | 0 | 118.3 | | |
| 400 | S | 32.5 | Very low | 34.4 | Very low | 112 Ų | 112 | 148.6 Ų | 148.6 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | | | trans | -82 | 151 | 174.6 | 171.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 401 | S | 27.2 | Very low | 34.6 | Very low | 121 Ų | 121 | 153.1 Ų | 153.1 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | | | trans | -139.1 | 149.9 | 153.3 | 66.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 402 | R | 38.2 | Very low | 34.5 | Very low | 206 Ų | 206 | 149.9 Ų | 149.9 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | | | trans | -126.9 | 147.6 | -174.9 | -145.4 | -174 | -159.5 | 178.1 | 9.6 | 108.8 | | |
| 403 | P | 40.4 | Very low | 33.9 | Very low | 126 Ų | 126 | 145.2 Ų | 145.2 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | | -137.6 | 172.6 | 123.7 | 23.9 | -4.8 | 0 | 0 | 0 | 114.4 | | |
| 404 | R | 35 | Very low | 33.5 | Very low | 211 Ų | 211 | 144.9 Ų | 144.9 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | | | trans | -141.4 | 158.5 | 173.8 | -124.1 | -177.6 | -174 | -175.4 | 2.1 | 105.9 | | |
| 405 | P | 45.8 | Very low | 33.5 | Very low | 107 Ų | 107 | 145.1 Ų | 145.1 | 70% | 0.695 | 81% | 0.814 | S | S | * | * | | | | -162.7 | 175.2 | 98.7 | 43.1 | -24.1 | 0 | 0 | 0 | 118.2 | | |
| 406 | R | 33.1 | Very low | 33.7 | Very low | 233 Ų | 233 | 147.9 Ų | 147.9 | 88% | 0.879 | 82% | 0.819 | S | S | * | * | | | trans | 69 | 146.3 | 162.5 | -66.3 | 170.4 | -176.3 | -177.1 | 0.8 | 116.6 | | |
| 407 | R | 38.8 | Very low | 33.8 | Very low | 236 Ų | 236 | 146 Ų | 146 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | | | cis | -154.9 | 166.4 | -9.9 | -129.4 | -170.5 | 167.3 | 175.4 | -3.7 | 107.1 | | |
| 408 | A | 28.4 | Very low | 34 | Very low | 79 Ų | 79 | 152.2 Ų | 152.2 | 65% | 0.653 | 81% | 0.809 | S | S | * | * | | | cis | -123.5 | -116.2 | -6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 409 | L | 30.6 | Very low | 33.6 | Very low | 163 Ų | 163 | 152.5 Ų | 152.5 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | | | cis | -152.1 | 166.7 | -4.9 | -171.4 | 53.7 | 0 | 0 | 0 | 109.3 | | |
| 410 | E | 35.1 | Very low | 33 | Very low | 161 Ų | 161 | 153.2 Ų | 153.2 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | | | trans | -93.1 | 136.9 | -174 | -66.4 | -65.3 | 139 | 0 | 0 | 114 | | |
| 411 | Q | 31.6 | Very low | 33.1 | Very low | 190 Ų | 190 | 156 Ų | 156 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | | | | 176.8 | 148.4 | 100.1 | -91.2 | -172.3 | -7.3 | 0 | 0 | 111.1 | | |
| 412 | S | 29.1 | Very low | 33.4 | Very low | 116 Ų | 116 | 155.4 Ų | 155.4 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | | | trans | -116.9 | 148.3 | -177 | -63.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 413 | S | 27.2 | Very low | 33.2 | Very low | 132 Ų | 132 | 150.8 Ų | 150.8 | 92% | 0.923 | 81% | 0.805 | S | S | * | * | | | trans | -165.5 | 145.5 | 142.2 | -86.5 | 0 | 0 | 0 | 0 | 112 | | |
| 414 | S | 30.2 | Very low | 33 | Very low | 113 Ų | 113 | 155.4 Ų | 155.4 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | | | trans | -130.6 | 152.3 | 177.7 | 59.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 415 | S | 27.4 | Very low | 33.4 | Very low | 124 Ų | 124 | 156.8 Ų | 156.8 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | | | trans | -159.7 | 143.1 | 161.1 | -84.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 416 | L | 36.4 | Very low | 33.2 | Very low | 171 Ų | 171 | 162.5 Ų | 162.5 | 90% | 0.895 | 82% | 0.819 | S | S | * | * | | | trans | -89.3 | 172.4 | 175.9 | -67.5 | 128.5 | 0 | 0 | 0 | 109 | | |
| 417 | S | 31 | Very low | 33.4 | Very low | 81 Ų | 81 | 158.7 Ų | 158.7 | 57% | 0.566 | 82% | 0.817 | S | S | * | * | | | cis | -174.8 | 145.5 | 42.1 | 50.5 | 0 | 0 | 0 | 0 | 114 | | |
| 418 | R | 32.3 | Very low | 34.4 | Very low | 224 Ų | 224 | 153 Ų | 153 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | | | | 166.5 | 136.2 | 117.8 | -94.7 | 179.3 | -80.1 | -94.9 | 2.2 | 111.8 | | |
| 419 | Q | 32.8 | Very low | 35.4 | Very low | 171 Ų | 171 | 154.5 Ų | 154.5 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | | | trans | -71.4 | 151.1 | 158 | -67.5 | 98.3 | -60.1 | 0 | 0 | 110.7 | | |
| 420 | L | 30.6 | Very low | 36 | Very low | 140 Ų | 140 | 152.3 Ų | 152.3 | 73% | 0.733 | 81% | 0.809 | S | S | * | * | | | | -165.2 | 143 | 108.9 | -140.5 | 64 | 0 | 0 | 0 | 115.4 | | |
| 421 | Q | 34.8 | Very low | 37 | Very low | 172 Ų | 172 | 155.9 Ų | 155.9 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | | | trans | 69.2 | 143.2 | 145.7 | -92.6 | 161.1 | 15 | 0 | 0 | 123.6 | | |
| 422 | S | 32.4 | Very low | 37.3 | Very low | 108 Ų | 108 | 154.3 Ų | 154.3 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | | | trans | -74.1 | 141.1 | 179 | 51.2 | 0 | 0 | 0 | 0 | 113.7 | R424 | S422-R424 PolarHBondContact O-N 3.35Å; S422-R424 VanDerWaalsContact O-N 3.13Å |
| 423 | A | 33.4 | Very low | 37.9 | Very low | 108 Ų | 108 | 156.7 Ų | 156.7 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | | | trans | -70.2 | 104.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 424 | R | 37.1 | Very low | 38.9 | Very low | 224 Ų | 224 | 158.1 Ų | 158.1 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | | | trans | -85.4 | 118.1 | 164.7 | -171.1 | 179.2 | -173.5 | -140.3 | 1.1 | 109.2 | S422 R426 | S422-R424 PolarHBondContact O-N 3.35Å; S422-R424 VanDerWaalsContact O-N 3.13Å; R424-R426 PolarHBondContact O-N 3.49Å |
| 425 | R | 42.9 | Very low | 39.1 | Very low | 240 Ų | 240 | 158.3 Ų | 158.3 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | | | trans | -54.8 | 127.3 | -178.9 | -68.2 | 179.9 | 177.7 | -111.3 | 3.4 | 112 | | |
| 426 | R | 42.3 | Very low | 39.4 | Very low | 226 Ų | 226 | 160.7 Ų | 160.7 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | | | trans | -144.5 | 135.3 | 160.1 | -96.8 | -174.7 | 166 | 173 | -5.8 | 108.1 | R424 | R424-R426 PolarHBondContact O-N 3.49Š|
| 427 | N | 36.7 | Very low | 39.5 | Very low | 154 Ų | 154 | 158.5 Ų | 158.5 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 145.8 | 178.2 | -59.1 | -15.2 | 0 | 0 | 0 | 109.8 | | |
| 428 | P | 59.7 | Low | 39.8 | Very low | 115 Ų | 115 | 160.7 Ų | 160.7 | 75% | 0.747 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 151.3 | 168 | 31.8 | -34.1 | 0 | 0 | 0 | 110.8 | | |
| 429 | P | 50.4 | Low | 39.7 | Very low | 111 Ų | 111 | 155.5 Ų | 155.5 | 72% | 0.721 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 156.7 | 172.1 | 30.8 | -34.9 | 0 | 0 | 0 | 111.6 | | |
| 430 | P | 43.7 | Very low | 39.9 | Very low | 118 Ų | 118 | 156 Ų | 156 | 77% | 0.766 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 143.7 | -178.3 | 27.7 | -35.1 | 0 | 0 | 0 | 112.3 | | |
| 431 | R | 54.8 | Low | 39.9 | Very low | 236 Ų | 236 | 154.6 Ų | 154.6 | 89% | 0.891 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 116.8 | 168.4 | -79.6 | 179.5 | 165.8 | 169.8 | -5.5 | 109.1 | | |
| 432 | N | 37.8 | Very low | 39.9 | Very low | 157 Ų | 157 | 156.1 Ų | 156.1 | 84% | 0.84 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 135 | 169.8 | -63.5 | -19.1 | 0 | 0 | 0 | 109.6 | | |
| 433 | L | 41.9 | Very low | 39.8 | Very low | 165 Ų | 165 | 155.9 Ų | 155.9 | 86% | 0.864 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 145.6 | 171.9 | -63.8 | 176.7 | 0 | 0 | 0 | 109.5 | | |
| 434 | L | 48.8 | Very low | 39.7 | Very low | 162 Ų | 162 | 154.5 Ų | 154.5 | 85% | 0.848 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 143 | 173 | -66.2 | 173.2 | 0 | 0 | 0 | 110 | | |
| 435 | P | 33.2 | Very low | 39.3 | Very low | 117 Ų | 117 | 151 Ų | 151 | 76% | 0.76 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 142.4 | 179.1 | 29.2 | -34.6 | 0 | 0 | 0 | 111.8 | | |
| 436 | L | 33.7 | Very low | 38.7 | Very low | 175 Ų | 175 | 143.2 Ų | 143.2 | 92% | 0.916 | 83% | 0.832 | S | S | * | * | | | trans | -85.1 | 111.7 | 174 | -69.2 | 167.8 | 0 | 0 | 0 | 109.7 | | |
| 437 | V | 38.6 | Very low | 38.2 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 76% | 0.758 | 83% | 0.829 | S | S | * | * | | | trans | -87.7 | 124.7 | 169.6 | 179.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 438 | P | 37.2 | Very low | 37.9 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | | | trans | -81.8 | 127.1 | 171 | 28.5 | -24.5 | 0 | 0 | 0 | 110.2 | | |
| 439 | S | 31.5 | Very low | 37.1 | Very low | 116 Ų | 116 | 139.6 Ų | 139.6 | 81% | 0.811 | 83% | 0.827 | S | S | * | * | | | trans | -127.3 | 132.1 | 168.4 | 55 | 0 | 0 | 0 | 0 | 110.7 | | |
| 440 | L | 36 | Very low | 36.4 | Very low | 181 Ų | 181 | 140.3 Ų | 140.3 | 95% | 0.948 | 82% | 0.824 | S | S | * | * | | | trans | -91.9 | 144.3 | -172.3 | -170.9 | 67.1 | 0 | 0 | 0 | 110.7 | | |
| 441 | S | 31.1 | Very low | 36.1 | Very low | 111 Ų | 111 | 142.2 Ų | 142.2 | 78% | 0.776 | 82% | 0.823 | S | S | * | * | | | trans | -78.7 | 127 | 178 | -52.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 442 | Q | 35.1 | Very low | 35.3 | Very low | 204 Ų | 204 | 137 Ų | 137 | 95% | 0.953 | 82% | 0.817 | S | S | * | * | | | trans | -158.5 | 171.2 | 138.7 | -120 | 170.8 | -3.4 | 0 | 0 | 112.3 | | |
| 443 | A | 30.8 | Very low | 35.6 | Very low | 103 Ų | 103 | 136.7 Ų | 136.7 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | | | trans | -120.2 | 158.5 | -173 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 444 | G | 30.8 | Very low | 35.4 | Very low | 79 Ų | 79 | 140.2 Ų | 140.2 | 81% | 0.814 | 82% | 0.816 | S | S | * | * | | | trans | 176.1 | 120.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 445 | T | 29 | Very low | 34.7 | Very low | 151 Ų | 151 | 135.8 Ų | 135.8 | 93% | 0.926 | 81% | 0.809 | S | S | * | * | | | trans | -93.1 | 128.4 | -173.5 | -56.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 446 | G | 29.5 | Very low | 34.9 | Very low | 76 Ų | 76 | 137.4 Ų | 137.4 | 78% | 0.784 | 82% | 0.817 | S | S | * | * | | | trans | 85 | 151.4 | 136.2 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 447 | G | 32.1 | Very low | 35.2 | Very low | 78 Ų | 78 | 138.2 Ų | 138.2 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | 88.6 | 119.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 448 | Y | 30.7 | Very low | 35.1 | Very low | 208 Ų | 208 | 140.5 Ų | 140.5 | 82% | 0.816 | 82% | 0.815 | S | S | * | * | | | cis | 83 | 90.9 | 19.9 | -164.4 | -96.6 | 0 | 0 | 0 | 117.3 | | |
| 449 | L | 42 | Very low | 34.9 | Very low | 133 Ų | 133 | 138.5 Ų | 138.5 | 70% | 0.696 | 80% | 0.801 | S | S | * | * | | | trans | 159.5 | 126.4 | 142.2 | -82.6 | 170.1 | 0 | 0 | 0 | 105.5 | | |
| 450 | D | 35.3 | Very low | 35.1 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 67% | 0.668 | 80% | 0.803 | S | S | * | * | | | cis | 78.1 | 132 | 47.5 | -153 | 52.5 | 0 | 0 | 0 | 111.6 | | |
| 451 | E | 37.7 | Very low | 35 | Very low | 158 Ų | 158 | 135.2 Ų | 135.2 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | | | cis | -147.9 | -160.4 | 13.4 | -155.2 | -174.8 | -163.2 | 0 | 0 | 111.5 | | |
| 452 | V | 38.3 | Very low | 35.1 | Very low | 126 Ų | 126 | 134.4 Ų | 134.4 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | | | trans | 69.3 | 133.8 | 169.5 | -106.9 | 0 | 0 | 0 | 0 | 117.6 | | |
| 453 | I | 44.1 | Very low | 34.9 | Very low | 151 Ų | 151 | 129.9 Ų | 129.9 | 77% | 0.774 | 77% | 0.769 | S | S | * | * | | | cis | -140 | 116.9 | 25.5 | -62 | 175.9 | 0 | 0 | 0 | 114.6 | | |
| 454 | R | 37.8 | Very low | 35.1 | Very low | 240 Ų | 240 | 135.1 Ų | 135.1 | 91% | 0.906 | 77% | 0.767 | S | S | * | * | | | trans | 49.3 | 121 | 137.2 | -175.5 | -175.9 | -82.5 | -113.2 | -2.1 | 123.4 | | |
| 455 | G | 34.3 | Very low | 35.4 | Very low | 69 Ų | 69 | 139 Ų | 139 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | trans | 116.4 | 141.7 | 136.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 456 | T | 38.4 | Very low | 35.3 | Very low | 151 Ų | 151 | 137.6 Ų | 137.6 | 93% | 0.926 | 76% | 0.759 | S | S | * | * | | | cis | -151.4 | 156.7 | -7.6 | -59.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 457 | R | 39.3 | Very low | 35.2 | Very low | 191 Ų | 191 | 139 Ų | 139 | 72% | 0.721 | 76% | 0.757 | S | S | * | * | | | trans | -108.3 | 142.4 | -165 | 171.2 | -169.3 | 170.5 | -159.7 | -1.1 | 114.7 | T459 | R457-T459 HydrophobicContact CG-CG2 4.06Å; R457-T459 PolarHBondContact NE-OG1 3.07Å; R457-T459 PolarHBondContact NH2-OG1 3.43Å |
| 458 | L | 35.2 | Very low | 35.9 | Very low | 174 Ų | 174 | 140.6 Ų | 140.6 | 91% | 0.911 | 75% | 0.753 | S | S | * | * | | | trans | -143.6 | 159.3 | 140.6 | -79.7 | -172 | 0 | 0 | 0 | 111.1 | | |
| 459 | T | 34.2 | Very low | 36 | Very low | 84 Ų | 84 | 137.7 Ų | 137.7 | 52% | 0.515 | 75% | 0.751 | S | S | . | * | | | trans | -154.3 | 175.2 | -163.5 | 48.6 | 0 | 0 | 0 | 0 | 114.9 | R457 | R457-T459 HydrophobicContact CG-CG2 4.06Å; R457-T459 PolarHBondContact NE-OG1 3.07Å; R457-T459 PolarHBondContact NH2-OG1 3.43Å |
| 460 | T | 35.4 | Very low | 35.7 | Very low | 141 Ų | 141 | 137.1 Ų | 137.1 | 87% | 0.865 | 75% | 0.753 | S | S | * | * | | | trans | 79.9 | 154.4 | -168.7 | 79.7 | 0 | 0 | 0 | 0 | 112 | | |
| 461 | A | 33.2 | Very low | 35.5 | Very low | 87 Ų | 87 | 135.8 Ų | 135.8 | 72% | 0.719 | 76% | 0.759 | S | S | * | * | | | cis | -157.9 | 171.9 | 4.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 462 | S | 34.8 | Very low | 35.3 | Very low | 93 Ų | 93 | 136.2 Ų | 136.2 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | | | cis | 178.9 | 149.4 | -22.5 | -89 | 0 | 0 | 0 | 0 | 107.3 | | |
| 463 | D | 30.2 | Very low | 35.3 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 58% | 0.583 | 77% | 0.771 | S | S | * | * | | | cis | -168.4 | 138.8 | -14.9 | -111.8 | -68.6 | 0 | 0 | 0 | 109.9 | | |
| 464 | R | 35.3 | Very low | 34.9 | Very low | 213 Ų | 213 | 139.3 Ų | 139.3 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | trans | 83.5 | 171.8 | 136.2 | -70.3 | 166.7 | -165.4 | -126.1 | -4 | 123.8 | | |
| 465 | L | 36.5 | Very low | 34.7 | Very low | 161 Ų | 161 | 134.4 Ų | 134.4 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | | | trans | 82.1 | 134.7 | 177 | -47.1 | -177.7 | 0 | 0 | 0 | 115.2 | | |
| 466 | T | 28 | Very low | 34.9 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | | | cis | -160.9 | 147.2 | -18.9 | -81.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 467 | S | 26.5 | Very low | 35.3 | Very low | 106 Ų | 106 | 135.4 Ų | 135.4 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | | | trans | -114.3 | -179.4 | 171.4 | -39.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 468 | P | 47.3 | Very low | 35.5 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | | | cis | -142.6 | -154.1 | 1 | 27.3 | 1.4 | 0 | 0 | 0 | 114 | | |
| 469 | L | 33.4 | Very low | 35.9 | Very low | 148 Ų | 148 | 130.9 Ų | 130.9 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | | | trans | 96.3 | 103.7 | 149 | -65.7 | 165.2 | 0 | 0 | 0 | 122.9 | | |
| 470 | V | 34.5 | Very low | 36.4 | Very low | 121 Ų | 121 | 133 Ų | 133 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | | | | 46.3 | 125.1 | 112 | 178 | 0 | 0 | 0 | 0 | 121 | | |
| 471 | A | 31 | Very low | 36.7 | Very low | 97 Ų | 97 | 134.7 Ų | 134.7 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | | | | -153.4 | 143.1 | 129.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 472 | L | 34 | Very low | 36.9 | Very low | 166 Ų | 166 | 133.3 Ų | 133.3 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | | | trans | -87 | 151.4 | 169.7 | -80.5 | 65.7 | 0 | 0 | 0 | 110.4 | | |
| 473 | S | 37.2 | Very low | 37 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | | | trans | -158.1 | 162.7 | 133.6 | -162.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 474 | R | 37 | Very low | 37.1 | Very low | 218 Ų | 218 | 134.2 Ų | 134.2 | 82% | 0.823 | 79% | 0.787 | S | S | * | * | | | trans | -143.5 | 148.3 | -172.7 | -143.5 | -172.9 | -173.9 | 178.3 | 0.9 | 110.1 | | |
| 475 | N | 33.8 | Very low | 37.1 | Very low | 137 Ų | 137 | 132.3 Ų | 132.3 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | | | trans | 89 | 132.5 | 162.8 | -45.6 | -32.5 | 0 | 0 | 0 | 119.6 | | |
| 476 | T | 38.1 | Very low | 37.1 | Very low | 128 Ų | 128 | 127.7 Ų | 127.7 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | trans | -33.8 | 155.8 | 148.6 | 42.4 | 0 | 0 | 0 | 0 | 115.6 | | |
| 477 | P | 46.1 | Very low | 37.3 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | | -153.2 | 165.2 | 54.7 | 42 | -21.5 | 0 | 0 | 0 | 121 | | |
| 478 | L | 43.6 | Very low | 37.8 | Very low | 160 Ų | 160 | 131.6 Ų | 131.6 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | | | trans | 47.8 | 144.9 | 146.9 | -65.1 | 171.9 | 0 | 0 | 0 | 122.9 | | |
| 479 | P | 44 | Very low | 37.6 | Very low | 111 Ų | 111 | 132 Ų | 132 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | | | trans | -88.9 | 148.9 | 172.1 | 36.3 | -34 | 0 | 0 | 0 | 113.5 | | |
| 480 | P | 45.3 | Very low | 37.6 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | | | trans | -85.8 | 163.1 | 173.4 | 35 | -35.1 | 0 | 0 | 0 | 113.6 | | |
| 481 | I | 40.4 | Very low | 38.2 | Very low | 176 Ų | 176 | 134 Ų | 134 | 90% | 0.903 | 81% | 0.806 | S | S | * | * | | | trans | -128.2 | 142 | 176.6 | -64.9 | 173.1 | 0 | 0 | 0 | 110 | | |
| 482 | G | 37.5 | Very low | 38.2 | Very low | 58 Ų | 58 | 132.6 Ų | 132.6 | 60% | 0.598 | 80% | 0.801 | S | S | * | * | | | trans | 168.6 | 170.6 | 155.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 483 | T | 37 | Very low | 38.1 | Very low | 145 Ų | 145 | 132.3 Ų | 132.3 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | | | cis | 176.2 | 139 | -29.6 | 19.8 | 0 | 0 | 0 | 0 | 106.3 | | |
| 484 | G | 33.8 | Very low | 38.1 | Very low | 75 Ų | 75 | 133.4 Ų | 133.4 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | | | trans | 93.9 | 129 | -178 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 485 | D | 34 | Very low | 37.9 | Very low | 174 Ų | 174 | 126.9 Ų | 126.9 | 93% | 0.93 | 78% | 0.782 | S | S | * | * | | | cis | 108.9 | 144.6 | 25 | -170.7 | 30.8 | 0 | 0 | 0 | 111.9 | | |
| 486 | G | 36.2 | Very low | 38 | Very low | 64 Ų | 64 | 129.7 Ų | 129.7 | 66% | 0.66 | 79% | 0.788 | S | S | * | * | | | trans | 131.5 | 75.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 487 | E | 31.9 | Very low | 37.6 | Very low | 198 Ų | 198 | 129.9 Ų | 129.9 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | | | trans | 33.7 | 177.7 | 141.5 | -53.7 | -163 | 127.4 | 0 | 0 | 124.4 | | |
| 488 | S | 37.9 | Very low | 37 | Very low | 111 Ų | 111 | 131 Ų | 131 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | trans | -108.7 | 176.6 | -164.3 | 81.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 489 | P | 42.5 | Very low | 36.6 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | | -151.9 | -169.5 | 50.2 | 41.7 | -17.7 | 0 | 0 | 0 | 118.9 | | |
| 490 | H | 34.5 | Very low | 36 | Very low | 182 Ų | 182 | 134.2 Ų | 134.2 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | | | trans | -72.6 | -175.1 | 175.7 | -75.2 | -21.7 | 0 | 0 | 0 | 114.8 | | |
| 491 | P | 46.2 | Very low | 35.4 | Very low | 129 Ų | 129 | 134.7 Ų | 134.7 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | | | cis | -151.1 | 178 | 21.2 | 45.1 | -23.8 | 0 | 0 | 0 | 121.5 | | |
| 492 | G | 30.9 | Very low | 35.1 | Very low | 68 Ų | 68 | 135.5 Ų | 135.5 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | | | trans | 123.5 | 138 | 157.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 493 | L | 32.5 | Very low | 34.9 | Very low | 159 Ų | 159 | 136.2 Ų | 136.2 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | cis | -156.7 | 150.4 | -1.7 | -147.8 | 89.7 | 0 | 0 | 0 | 111.3 | | |
| 494 | L | 36.6 | Very low | 35.6 | Very low | 149 Ų | 149 | 135.4 Ų | 135.4 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | | | trans | 14.7 | 155.6 | 159.4 | -83.7 | 82.5 | 0 | 0 | 0 | 123.2 | | |
| 495 | S | 33.3 | Very low | 35.6 | Very low | 80 Ų | 80 | 137.2 Ų | 137.2 | 56% | 0.559 | 78% | 0.775 | S | S | * | * | | | cis | 178.3 | 152.8 | -15.2 | 58.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 496 | K | 35.8 | Very low | 35.6 | Very low | 196 Ų | 196 | 134.6 Ų | 134.6 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | | | trans | 60.4 | 158 | 150.4 | -66.8 | 163.6 | -176.6 | 177.1 | 0 | 118.9 | | |
| 497 | L | 30.5 | Very low | 35.5 | Very low | 132 Ų | 132 | 143.8 Ų | 143.8 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | | | cis | 152.6 | 111.3 | -28.6 | 167.2 | 62.8 | 0 | 0 | 0 | 108.7 | | |
| 498 | T | 33.8 | Very low | 35.6 | Very low | 136 Ų | 136 | 138.6 Ų | 138.6 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | | | trans | 177.2 | 139.7 | 151.5 | 24.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 499 | Q | 34.1 | Very low | 35.7 | Very low | 151 Ų | 151 | 142.6 Ų | 142.6 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | | | cis | 82.5 | 121.5 | 14.9 | -151.3 | 172.8 | -37.3 | 0 | 0 | 113.5 | | |
| 500 | R | 32.1 | Very low | 35.2 | Very low | 187 Ų | 187 | 142.6 Ų | 142.6 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | | | cis | -164.6 | 149.7 | 12.3 | -136.5 | -171.4 | 165.4 | -136.2 | 4.5 | 113.8 | | |
| 501 | Q | 31.8 | Very low | 35.1 | Very low | 139 Ų | 139 | 138.4 Ų | 138.4 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | | | trans | 61.4 | 176.6 | 154.1 | -45.6 | -145 | -54 | 0 | 0 | 118.1 | | |
| 502 | K | 33.9 | Very low | 34.5 | Very low | 194 Ų | 194 | 140.9 Ų | 140.9 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | | | cis | -159.5 | 130.8 | 13 | -167.1 | -176.9 | 178.7 | -174.1 | 0 | 115.7 | | |
| 503 | G | 32.7 | Very low | 34.6 | Very low | 72 Ų | 72 | 145.3 Ų | 145.3 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | | | trans | 89.4 | 164.7 | 137.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 504 | P | 52.2 | Low | 34.6 | Very low | 128 Ų | 128 | 144.4 Ų | 144.4 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | | | trans | -136.8 | 165.3 | -168.2 | 43.2 | -26 | 0 | 0 | 0 | 117.9 | | |
| 505 | S | 34.6 | Very low | 34.6 | Very low | 114 Ų | 114 | 144.5 Ų | 144.5 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | | | trans | 178.5 | 141.5 | 147.5 | 46.7 | 0 | 0 | 0 | 0 | 108.1 | | |
| 506 | S | 34.6 | Very low | 34.6 | Very low | 119 Ų | 119 | 143.4 Ų | 143.4 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | | | | 68.1 | 103.4 | 55.6 | -169 | 0 | 0 | 0 | 0 | 115.4 | | |
| 507 | R | 34.3 | Very low | 34.4 | Very low | 256 Ų | 256 | 142.8 Ų | 142.8 | 97% | 0.966 | 78% | 0.777 | S | S | * | * | | | trans | -159.9 | 165.4 | 140.4 | -144.3 | 159.3 | -164.8 | 147.8 | 6.5 | 111.7 | | |
| 508 | A | 33 | Very low | 34.4 | Very low | 89 Ų | 89 | 141.5 Ų | 141.5 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | | | trans | -116.4 | -178 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 509 | H | 39.6 | Very low | 34.4 | Very low | 195 Ų | 195 | 140.4 Ų | 140.4 | 90% | 0.903 | 78% | 0.777 | S | S | * | * | | | trans | -61 | 152.4 | 176.9 | -53.8 | -99.1 | 0 | 0 | 0 | 114 | | |
| 510 | S | 31.8 | Very low | 34.5 | Very low | 120 Ų | 120 | 140 Ų | 140 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | | | trans | -154.5 | 139.8 | 155.3 | 54.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 511 | A | 32.1 | Very low | 35.1 | Very low | 94 Ų | 94 | 136.4 Ų | 136.4 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | | | trans | -87.7 | 168.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 512 | L | 34.3 | Very low | 35.3 | Very low | 180 Ų | 180 | 141.1 Ų | 141.1 | 94% | 0.942 | 80% | 0.798 | S | S | * | * | | | trans | -134.7 | 157.7 | 161.9 | -74.5 | 177.8 | 0 | 0 | 0 | 110.1 | | |
| 513 | H | 33.3 | Very low | 35.2 | Very low | 162 Ų | 162 | 138.2 Ų | 138.2 | 75% | 0.75 | 79% | 0.791 | S | S | * | * | | | trans | -129.1 | -176.5 | -178 | -175.4 | -88.3 | 0 | 0 | 0 | 108 | | |
| 514 | D | 31.6 | Very low | 35.3 | Very low | 140 Ų | 140 | 145.1 Ų | 145.1 | 75% | 0.749 | 80% | 0.795 | S | S | * | * | | | trans | 87.7 | 153.8 | 175.4 | -62 | 4.5 | 0 | 0 | 0 | 115.3 | | |
| 515 | E | 37.9 | Very low | 34.5 | Very low | 151 Ų | 151 | 145 Ų | 145 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | cis | -176 | 175.7 | -34.5 | -114.8 | -61.8 | 80.4 | 0 | 0 | 105.6 | | |
| 516 | A | 32.8 | Very low | 34.8 | Very low | 57 Ų | 57 | 148.1 Ų | 148.1 | 47% | 0.471 | 79% | 0.785 | S | S | . | * | | | cis | -151.9 | 146.8 | 0.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 517 | Q | 31.6 | Very low | 34.8 | Very low | 183 Ų | 183 | 150.6 Ų | 150.6 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | | | trans | 61.2 | 163.2 | 156.9 | -62.4 | 157.7 | 42.4 | 0 | 0 | 116.1 | | |
| 518 | S | 30.4 | Very low | 35.2 | Very low | 105 Ų | 105 | 145.8 Ų | 145.8 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | | | cis | -145.3 | 154 | -27.9 | 56.5 | 0 | 0 | 0 | 0 | 106.9 | | |
| 519 | S | 34.4 | Very low | 35.5 | Very low | 113 Ų | 113 | 149.1 Ų | 149.1 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | | | | 170.5 | 153.4 | 98.7 | 48 | 0 | 0 | 0 | 0 | 111.4 | | |
| 520 | V | 35.7 | Very low | 35.5 | Very low | 143 Ų | 143 | 145.4 Ų | 145.4 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | | | trans | -147.6 | 133.6 | 177.3 | 178.7 | 0 | 0 | 0 | 0 | 103.9 | | |
| 521 | P | 45.6 | Very low | 35.7 | Very low | 111 Ų | 111 | 148.5 Ų | 148.5 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | | | | -149.9 | 153.5 | 53.3 | 39 | -18.6 | 0 | 0 | 0 | 118.6 | | |
| 522 | R | 34.5 | Very low | 35.8 | Very low | 238 Ų | 238 | 149.8 Ų | 149.8 | 90% | 0.898 | 78% | 0.778 | S | S | * | * | | | | 177.1 | 118.5 | 105.9 | -98.2 | -167.8 | 178.4 | -158.5 | 0.4 | 113.4 | | |
| 523 | D | 31.3 | Very low | 36.5 | Very low | 133 Ų | 133 | 152.9 Ų | 152.9 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | | | trans | -13.9 | 120.1 | 145.6 | 175.5 | 27.4 | 0 | 0 | 0 | 117.2 | | |
| 524 | R | 36 | Very low | 36.9 | Very low | 216 Ų | 216 | 151.5 Ų | 151.5 | 82% | 0.815 | 78% | 0.782 | S | S | * | * | | | trans | -163.7 | 88 | 136.2 | -117.9 | -171.9 | 166.7 | 158 | -0.3 | 115.2 | | |
| 525 | H | 36.2 | Very low | 37 | Very low | 127 Ų | 127 | 151.8 Ų | 151.8 | 59% | 0.588 | 78% | 0.784 | S | S | * | * | | | trans | 58.4 | 153.9 | 151.7 | -40.5 | -47.7 | 0 | 0 | 0 | 122.3 | | |
| 526 | H | 39 | Very low | 37.3 | Very low | 179 Ų | 179 | 150.5 Ų | 150.5 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | | | trans | 66.9 | 93.1 | 166.1 | -57 | 108.6 | 0 | 0 | 0 | 118.6 | | |
| 527 | I | 35.4 | Very low | 37.7 | Very low | 171 Ų | 171 | 153.6 Ų | 153.6 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | | | trans | -74.7 | 124.5 | 151.1 | -62.4 | 169.1 | 0 | 0 | 0 | 107.8 | | |
| 528 | L | 43.6 | Very low | 38 | Very low | 155 Ų | 155 | 152.5 Ų | 152.5 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | | | trans | -131.2 | 141.9 | 159.2 | -140.1 | 78.8 | 0 | 0 | 0 | 108.4 | | |
| 529 | D | 38 | Very low | 38.5 | Very low | 159 Ų | 159 | 153.3 Ų | 153.3 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | | | trans | -73 | 132.2 | -163.4 | -170.7 | 16.7 | 0 | 0 | 0 | 113.4 | | |
| 530 | V | 39.3 | Very low | 38.6 | Very low | 116 Ų | 116 | 157.5 Ų | 157.5 | 70% | 0.703 | 80% | 0.795 | S | S | * | * | | | trans | -112.1 | 87.8 | -172.4 | -179.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 531 | F | 36.8 | Very low | 38.7 | Very low | 186 Ų | 186 | 161.6 Ų | 161.6 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | | | trans | 47.6 | 107.9 | 162.2 | -55.9 | -78.1 | 0 | 0 | 0 | 119 | | |
| 532 | S | 33.2 | Very low | 38.3 | Very low | 121 Ų | 121 | 161.5 Ų | 161.5 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | | | trans | -162 | 86.9 | 134.1 | -87.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 533 | R | 49 | Very low | 38.4 | Very low | 244 Ų | 244 | 157.9 Ų | 157.9 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | | | trans | -131.1 | 117.2 | 161.9 | -72.1 | -169.8 | -179.8 | -138.3 | 1.4 | 109.7 | | |
| 534 | P | 42.4 | Very low | 38.9 | Very low | 134 Ų | 134 | 157.4 Ų | 157.4 | 87% | 0.87 | 80% | 0.797 | S | S | * | * | | | trans | -64.8 | 138.3 | 171.8 | -21.7 | 34.3 | 0 | 0 | 0 | 111.4 | | |
| 535 | N | 33.3 | Very low | 39.4 | Very low | 145 Ų | 145 | 153.6 Ų | 153.6 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | | | trans | -87.9 | 146.8 | -173 | -171 | 14.8 | 0 | 0 | 0 | 112.8 | | |
| 536 | T | 44.8 | Very low | 39.1 | Very low | 124 Ų | 124 | 158.1 Ų | 158.1 | 76% | 0.761 | 81% | 0.814 | S | S | * | * | | | trans | -102.6 | 109.2 | 172.5 | 51.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 537 | T | 40.2 | Very low | 38.8 | Very low | 123 Ų | 123 | 160.2 Ų | 160.2 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | | | trans | 176.8 | 134.2 | 146.2 | 19.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 538 | H | 39.2 | Very low | 38.6 | Very low | 159 Ų | 159 | 156.6 Ų | 156.6 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | | | trans | -149.2 | 83.9 | 158.5 | -175.3 | -81 | 0 | 0 | 0 | 110.3 | Y540 | H538-Y540 AromaticContact CE1-CD2 3.82Å; H538-Y540 AromaticContact CE1-CE2 3.88Å |
| 539 | T | 40.7 | Very low | 38.3 | Very low | 123 Ų | 123 | 153.4 Ų | 153.4 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | trans | -89.6 | 122 | 172.5 | -55.6 | 0 | 0 | 0 | 0 | 109.1 | R541 | T539-R541 PolarHBondContact O-N 2.91Š|
| 540 | Y | 37.1 | Very low | 38.1 | Very low | 200 Ų | 200 | 155.5 Ų | 155.5 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | | | trans | -57.7 | 130.6 | 172.6 | -101.5 | -100.4 | 0 | 0 | 0 | 110.7 | H538 | H538-Y540 AromaticContact CE1-CD2 3.82Å; H538-Y540 AromaticContact CE1-CE2 3.88Å |
| 541 | R | 37 | Very low | 38.1 | Very low | 230 Ų | 230 | 156.2 Ų | 156.2 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | | | trans | -107.2 | 138 | 158.9 | -82 | -171.8 | 162.1 | -157.1 | -5 | 108.7 | T539 | T539-R541 PolarHBondContact O-N 2.91Š|
| 542 | S | 37.8 | Very low | 37.8 | Very low | 108 Ų | 108 | 154.3 Ų | 154.3 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | | | trans | -99.2 | 119.5 | 175 | -53.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 543 | D | 36.2 | Very low | 38.4 | Very low | 163 Ų | 163 | 155.9 Ų | 155.9 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | | | trans | -72.9 | 131.5 | 175.5 | -66.1 | -47 | 0 | 0 | 0 | 111 | | |
| 544 | T | 41.9 | Very low | 37.7 | Very low | 123 Ų | 123 | 151.3 Ų | 151.3 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | | | trans | -127.9 | 117.1 | 172 | 54.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 545 | P | 45.9 | Very low | 37.3 | Very low | 135 Ų | 135 | 151 Ų | 151 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | | | trans | -75.9 | 126.6 | 176.9 | 29.8 | -32.8 | 0 | 0 | 0 | 111.1 | | |
| 546 | Y | 30.5 | Very low | 37.3 | Very low | 222 Ų | 222 | 151.8 Ų | 151.8 | 87% | 0.871 | 79% | 0.79 | S | S | * | * | | | trans | -80.6 | 136.9 | -176.8 | -159.1 | -96.6 | 0 | 0 | 0 | 111.6 | | |
| 547 | R | 32.1 | Very low | 36.8 | Very low | 224 Ų | 224 | 148.6 Ų | 148.6 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | | | trans | -147.6 | 138 | 164 | -151.4 | 178.1 | -167.3 | -78.7 | 0.2 | 111.1 | | |
| 548 | S | 31.4 | Very low | 36.7 | Very low | 95 Ų | 95 | 152.1 Ų | 152.1 | 66% | 0.664 | 79% | 0.789 | S | S | * | * | | | trans | -123.8 | 138.8 | -171 | 176.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 549 | S | 36.8 | Very low | 36.3 | Very low | 87 Ų | 87 | 147.7 Ų | 147.7 | 61% | 0.608 | 79% | 0.787 | S | S | * | * | | | trans | 158.3 | 143.1 | 168.6 | 50.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 550 | F | 33.5 | Very low | 36.1 | Very low | 204 Ų | 204 | 153.9 Ų | 153.9 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | | | cis | -162 | 166.7 | -14.4 | -115.5 | -63.7 | 0 | 0 | 0 | 107.5 | | |
| 551 | T | 39.8 | Very low | 36.8 | Very low | 130 Ų | 130 | 150.2 Ų | 150.2 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | | | trans | -105.7 | 155.1 | -180 | 49.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 552 | V | 30.3 | Very low | 36.5 | Very low | 147 Ų | 147 | 142.6 Ų | 142.6 | 89% | 0.891 | 79% | 0.79 | S | S | * | * | | | trans | -135.6 | 152 | 169.1 | 177.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 553 | L | 47.2 | Very low | 36.2 | Very low | 153 Ų | 153 | 149.9 Ų | 149.9 | 80% | 0.801 | 80% | 0.801 | S | S | * | * | | | trans | -137.3 | 147.6 | -175.4 | -91.5 | 165.6 | 0 | 0 | 0 | 110.6 | | |
| 554 | D | 32.8 | Very low | 35.8 | Very low | 148 Ų | 148 | 147 Ų | 147 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | | | trans | 177.5 | 170.7 | 148.6 | -101.1 | -9.9 | 0 | 0 | 0 | 109.3 | | |
| 555 | N | 35.4 | Very low | 35.3 | Very low | 128 Ų | 128 | 147 Ų | 147 | 68% | 0.684 | 81% | 0.805 | S | S | * | * | | | | 178.7 | 159.4 | -53.8 | -109.9 | -46.1 | 0 | 0 | 0 | 109.3 | | |
| 556 | I | 33.7 | Very low | 34.6 | Very low | 162 Ų | 162 | 147.2 Ų | 147.2 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | | | trans | 68.6 | 149.5 | 171.1 | -61 | 160.9 | 0 | 0 | 0 | 115 | | |
| 557 | G | 32.8 | Very low | 34.6 | Very low | 56 Ų | 56 | 140.4 Ų | 140.4 | 58% | 0.577 | 80% | 0.801 | S | S | * | * | | | cis | 138.5 | 148.3 | -15.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 558 | Q | 38 | Very low | 34.6 | Very low | 197 Ų | 197 | 135.1 Ų | 135.1 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | | | trans | 74.1 | 151.1 | 176.9 | -45 | -60.1 | -28.6 | 0 | 0 | 116.3 | | |
| 559 | G | 30.5 | Very low | 34.7 | Very low | 67 Ų | 67 | 137.8 Ų | 137.8 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | | | cis | 169.9 | 125.8 | -12.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 560 | R | 36.6 | Very low | 34.5 | Very low | 253 Ų | 253 | 138.9 Ų | 138.9 | 96% | 0.955 | 81% | 0.808 | S | S | * | * | | | trans | 72.4 | 152.4 | 160.3 | -97 | -170.1 | 165.6 | -130 | -3.1 | 121.6 | | |
| 561 | P | 53.6 | Low | 34.6 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | | | trans | -116 | 178.9 | -173.2 | 44 | -34.7 | 0 | 0 | 0 | 115.3 | | |
| 562 | G | 28.7 | Very low | 34.3 | Very low | 69 Ų | 69 | 133.7 Ų | 133.7 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | | | trans | -167.3 | 117.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 563 | R | 32.9 | Very low | 34.6 | Very low | 261 Ų | 261 | 133.9 Ų | 133.9 | 99% | 0.985 | 80% | 0.796 | S | S | * | * | | | trans | 75.5 | 143.7 | 151.8 | -61 | -179 | 177.8 | -90.9 | -2 | 120.2 | | |
| 564 | A | 27.7 | Very low | 33.9 | Very low | 102 Ų | 102 | 130.1 Ų | 130.1 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | | | trans | -106.7 | 171.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 565 | S | 30.6 | Very low | 34.1 | Very low | 125 Ų | 125 | 129.5 Ų | 129.5 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | | | trans | -153.7 | 169.4 | 149.4 | -160.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 566 | V | 32.7 | Very low | 34.4 | Very low | 139 Ų | 139 | 130 Ų | 130 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | | | trans | -96.9 | 149.3 | -175.7 | 175.7 | 0 | 0 | 0 | 0 | 111 | | |
| 567 | G | 29.5 | Very low | 34.4 | Very low | 79 Ų | 79 | 125.7 Ų | 125.7 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | | | trans | -166 | 118.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 568 | T | 32.4 | Very low | 34.5 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 69% | 0.687 | 81% | 0.813 | S | S | * | * | | | trans | -86.2 | 150.8 | -175.1 | 46.7 | 0 | 0 | 0 | 0 | 114.5 | | |
| 569 | D | 33.4 | Very low | 34.6 | Very low | 152 Ų | 152 | 124 Ų | 124 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | | | trans | 56.9 | 156.3 | 149.4 | -50 | -17.5 | 0 | 0 | 0 | 118.1 | | |
| 570 | S | 31.7 | Very low | 35 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 76% | 0.762 | 82% | 0.817 | S | S | * | * | | | cis | -167.7 | 168.4 | -7 | -115.9 | 0 | 0 | 0 | 0 | 106.2 | | |
| 571 | L | 36.4 | Very low | 34.8 | Very low | 150 Ų | 150 | 120.7 Ų | 120.7 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | | | cis | -163.6 | 150.4 | -2.9 | 167.3 | 65.8 | 0 | 0 | 0 | 106.9 | I573 | L571-I573 HydrophobicContact CD1-CD1 3.97Å; L571-I573 HydrophobicContact CD2-CD1 4.22Å; L571-I573 HydrophobicContact CG-CD1 4.01Å |
| 572 | G | 32.6 | Very low | 34.2 | Very low | 75 Ų | 75 | 123 Ų | 123 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | | | trans | -167 | 111.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 573 | I | 37.4 | Very low | 34.2 | Very low | 152 Ų | 152 | 125.7 Ų | 125.7 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | | | trans | -88.8 | 138.3 | -179.1 | -67.1 | 83 | 0 | 0 | 0 | 110.4 | L571 | L571-I573 HydrophobicContact CD1-CD1 3.97Å; L571-I573 HydrophobicContact CD2-CD1 4.22Å; L571-I573 HydrophobicContact CG-CD1 4.01Å |
| 574 | G | 32.5 | Very low | 34.2 | Very low | 74 Ų | 74 | 119.3 Ų | 119.3 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | | | trans | -171.4 | 42 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 575 | V | 36.2 | Very low | 34.3 | Very low | 135 Ų | 135 | 119.4 Ų | 119.4 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | -128.7 | 113.1 | 178.8 | 179.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 576 | T | 43 | Very low | 34.7 | Very low | 139 Ų | 139 | 118.5 Ų | 118.5 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | | | trans | -144.9 | 99.4 | 157.3 | 49 | 0 | 0 | 0 | 0 | 109.5 | | |
| 577 | G | 32.9 | Very low | 34.6 | Very low | 71 Ų | 71 | 121 Ų | 121 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | | | trans | -91.7 | 147.2 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 578 | V | 35.7 | Very low | 34.9 | Very low | 144 Ų | 144 | 125.2 Ų | 125.2 | 87% | 0.873 | 80% | 0.804 | S | S | * | * | | | trans | -143.7 | 122.8 | 167.8 | -106.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 579 | G | 39.8 | Very low | 34.7 | Very low | 73 Ų | 73 | 127.1 Ų | 127.1 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | | | trans | -107.1 | 130.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 580 | L | 37.9 | Very low | 34.6 | Very low | 180 Ų | 180 | 124.5 Ų | 124.5 | 94% | 0.942 | 80% | 0.804 | S | S | * | * | | | trans | -140.4 | 151.9 | 166.3 | -67.3 | 174.4 | 0 | 0 | 0 | 106.1 | | |
| 581 | G | 33.2 | Very low | 34.8 | Very low | 70 Ų | 70 | 129.8 Ų | 129.8 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | | | cis | 143.8 | 104.6 | 7.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 582 | I | 41.6 | Very low | 35.1 | Very low | 171 Ų | 171 | 127.5 Ų | 127.5 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | | | trans | -68.8 | 144.2 | -170.8 | 52.3 | 170.2 | 0 | 0 | 0 | 113.1 | | |
| 583 | S | 28.6 | Very low | 35.2 | Very low | 126 Ų | 126 | 133.3 Ų | 133.3 | 88% | 0.881 | 81% | 0.809 | S | S | * | * | | | trans | -161.5 | 134.1 | 153.6 | -81.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 584 | S | 33 | Very low | 34.9 | Very low | 128 Ų | 128 | 135.3 Ų | 135.3 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | | | trans | -86.2 | 152.4 | 174.3 | -52.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 585 | S | 29.2 | Very low | 35.3 | Very low | 103 Ų | 103 | 139.9 Ų | 139.9 | 72% | 0.72 | 82% | 0.821 | S | S | * | * | | | trans | -151.9 | 141.5 | 164.3 | -171.3 | 0 | 0 | 0 | 0 | 110.7 | F587 | S585-F587 WeakPolarHBondContact OG-CE2 3.4Š|
| 586 | S | 38.6 | Very low | 35.1 | Very low | 107 Ų | 107 | 142.1 Ų | 142.1 | 75% | 0.748 | 83% | 0.828 | S | S | * | * | | | trans | -129.7 | 120.8 | -179.1 | 56.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 587 | F | 31.9 | Very low | 34.4 | Very low | 192 Ų | 192 | 138.7 Ų | 138.7 | 84% | 0.842 | 82% | 0.82 | S | S | * | * | | | trans | -135.6 | 137.5 | 172.4 | -80.3 | -78.1 | 0 | 0 | 0 | 111.3 | S585 | S585-F587 WeakPolarHBondContact OG-CE2 3.4Š|
| 588 | L | 34.5 | Very low | 35.2 | Very low | 167 Ų | 167 | 141 Ų | 141 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | | | trans | -86.7 | 140.7 | 168.8 | -67.4 | 164.9 | 0 | 0 | 0 | 108.4 | | |
| 589 | D | 29.1 | Very low | 35.1 | Very low | 152 Ų | 152 | 139.3 Ų | 139.3 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | | | trans | -84 | 156.2 | 170.8 | -162.4 | 4.4 | 0 | 0 | 0 | 110.7 | | |
| 590 | S | 30.5 | Very low | 35.5 | Very low | 97 Ų | 97 | 140.9 Ų | 140.9 | 68% | 0.678 | 81% | 0.813 | S | S | * | * | | | trans | -148.3 | 119.4 | -173.4 | -72 | 0 | 0 | 0 | 0 | 112.6 | | |
| 591 | Y | 35.2 | Very low | 35.3 | Very low | 220 Ų | 220 | 139.9 Ų | 139.9 | 86% | 0.863 | 81% | 0.807 | S | S | * | * | | | trans | -73.3 | 139.5 | -179.8 | -76.6 | -83.2 | 0 | 0 | 0 | 113 | | |
| 592 | P | 43.8 | Very low | 35.4 | Very low | 102 Ų | 102 | 143.2 Ų | 143.2 | 66% | 0.662 | 80% | 0.802 | S | S | * | * | | | trans | -97.3 | 143.6 | 178.1 | 36.2 | -33.3 | 0 | 0 | 0 | 113.5 | | |
| 593 | H | 34.4 | Very low | 35 | Very low | 196 Ų | 196 | 140.3 Ų | 140.3 | 91% | 0.907 | 79% | 0.788 | S | S | * | * | | | trans | -141.8 | 153.9 | 159.7 | -81 | -54.6 | 0 | 0 | 0 | 111.5 | | |
| 594 | H | 32.3 | Very low | 35.4 | Very low | 195 Ų | 195 | 141.9 Ų | 141.9 | 90% | 0.903 | 78% | 0.782 | S | S | * | * | | | trans | -95.6 | 161.7 | -166.1 | -85.6 | -108.9 | 0 | 0 | 0 | 114.8 | | |
| 595 | L | 39.7 | Very low | 35.5 | Very low | 169 Ų | 169 | 144.6 Ų | 144.6 | 89% | 0.885 | 78% | 0.78 | S | S | * | * | | | trans | -80.4 | 150.4 | 177 | -68.2 | 162.3 | 0 | 0 | 0 | 113.8 | | |
| 596 | L | 31.3 | Very low | 36 | Very low | 183 Ų | 183 | 147.8 Ų | 147.8 | 96% | 0.958 | 78% | 0.784 | S | S | * | * | | | trans | -172.5 | 142.6 | 139.4 | -99.8 | 156.6 | 0 | 0 | 0 | 109.5 | | |
| 597 | G | 29 | Very low | 36.3 | Very low | 67 Ų | 67 | 147.7 Ų | 147.7 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | | | trans | -111.6 | -146.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 598 | P | 49.9 | Very low | 36.6 | Very low | 120 Ų | 120 | 146.8 Ų | 146.8 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | | | cis | -139.6 | -165 | -9.4 | 39.3 | -18.9 | 0 | 0 | 0 | 114.5 | | |
| 599 | S | 33.3 | Very low | 37.1 | Very low | 107 Ų | 107 | 143.4 Ų | 143.4 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | | | trans | 86.9 | 164.3 | 160.7 | -44.5 | 0 | 0 | 0 | 0 | 118.6 | | |
| 600 | P | 48 | Very low | 37.5 | Very low | 106 Ų | 106 | 145 Ų | 145 | 69% | 0.688 | 77% | 0.769 | S | S | * | * | | | cis | -141.1 | -176 | -46.1 | 38.7 | -21.7 | 0 | 0 | 0 | 115.1 | | |
| 601 | I | 34.5 | Very low | 38.3 | Very low | 160 Ų | 160 | 145 Ų | 145 | 82% | 0.821 | 77% | 0.77 | S | S | * | * | | | trans | 73.6 | 141.7 | 149.4 | -88.8 | 162.6 | 0 | 0 | 0 | 118 | | |
| 602 | K | 34.3 | Very low | 39.1 | Very low | 139 Ų | 139 | 140.7 Ų | 140.7 | 60% | 0.604 | 77% | 0.768 | S | S | * | * | | | cis | -166 | 178.2 | -13.4 | -162.4 | -169.6 | 170.4 | -79.5 | 0 | 108.7 | E604 | K602-E604 IonicContact NZ-OE1 2.62Å; K602-E604 PolarHBondContact NZ-OE1 3.32Å |
| 603 | D | 33.6 | Very low | 39.2 | Very low | 110 Ų | 110 | 142 Ų | 142 | 59% | 0.588 | 78% | 0.775 | S | S | * | * | | | trans | 78.5 | 117.4 | 163.8 | -52.3 | -35.8 | 0 | 0 | 0 | 115.2 | | |
| 604 | E | 36.8 | Very low | 39.9 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | | 73.7 | 130.3 | 68.2 | -68.4 | 168.4 | -150.6 | 0 | 0 | 111.4 | K602 | K602-E604 IonicContact NZ-OE1 2.62Å; K602-E604 PolarHBondContact NZ-OE1 3.32Å |
| 605 | E | 34.8 | Very low | 40.6 | Very low | 185 Ų | 185 | 131.6 Ų | 131.6 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | | | cis | -149.8 | 178.2 | 10.1 | -158.3 | 178.8 | 143.3 | 0 | 0 | 111 | | |
| 606 | E | 39.6 | Very low | 40.7 | Very low | 169 Ų | 169 | 136.8 Ų | 136.8 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | trans | -76.9 | -176.9 | 169.7 | -117.9 | -156.8 | 104.5 | 0 | 0 | 111.8 | | |
| 607 | P | 46.7 | Very low | 41.1 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 69% | 0.688 | 77% | 0.774 | S | S | * | * | | | cis | -136.7 | -176.3 | 0.5 | 43.4 | -25.7 | 0 | 0 | 0 | 116.2 | | |
| 608 | E | 36.5 | Very low | 41.8 | Very low | 173 Ų | 173 | 138 Ų | 138 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | | | trans | -78.8 | 177.1 | 150.7 | -109.2 | -159.4 | 169.2 | 0 | 0 | 110.8 | | |
| 609 | P | 46.6 | Very low | 41.3 | Very low | 95 Ų | 95 | 139 Ų | 139 | 62% | 0.617 | 78% | 0.778 | S | S | * | * | | | cis | -130.5 | -175.7 | -0.9 | 31.7 | -9.8 | 0 | 0 | 0 | 113.5 | | |
| 610 | Q | 37.4 | Very low | 41.8 | Very low | 185 Ų | 185 | 140.9 Ų | 140.9 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | | | | 157.2 | 136.9 | 121.2 | -83.5 | -170.3 | 16.7 | 0 | 0 | 112.8 | | |
| 611 | S | 47.6 | Very low | 41.4 | Very low | 98 Ų | 98 | 143.1 Ų | 143.1 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | | | trans | -96.2 | 142.2 | 171.8 | 53 | 0 | 0 | 0 | 0 | 111.5 | | |
| 612 | P | 51.9 | Low | 41.9 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | | | trans | -84.4 | 111.4 | 161.5 | 31.4 | -29 | 0 | 0 | 0 | 110 | | |
| 613 | V | 44.8 | Very low | 42.4 | Very low | 131 Ų | 131 | 142.1 Ų | 142.1 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | | | trans | -74.1 | 140.9 | 167.7 | 172.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 614 | A | 48.9 | Very low | 43.1 | Very low | 99 Ų | 99 | 144.6 Ų | 144.6 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | -86.1 | 132.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 615 | G | 47.8 | Very low | 43.6 | Very low | 73 Ų | 73 | 143.3 Ų | 143.3 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | | | trans | 149.4 | 80.5 | 161.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 616 | Q | 40.7 | Very low | 44.4 | Very low | 277 Ų | 277 | 139.5 Ų | 139.5 | 100% | 1.294 | 81% | 0.814 | S | S | * | * | | | | -163.1 | 0 | 110.3 | -103.4 | 177.6 | 23.3 | 0 | 0 | 111.1 | | |