| 1 | M | 48.3 | Very low | 51 | Low | 236 Ų | 236 | 143.1 Ų | 143.1 | 100% | 1.163 | 82% | 0.815 | S | S | * | * | | | | 0 | 92.8 | 0 | -68.4 | -58.2 | -179.6 | 0 | 0 | 108.8 | | |
| 2 | P | 59.2 | Low | 50.6 | Low | 134 Ų | 134 | 137.8 Ų | 137.8 | 87% | 0.87 | 82% | 0.815 | S | S | * | * | | | trans | -95.7 | 171.8 | -178.5 | 37 | -32 | 0 | 0 | 0 | 113.3 | | |
| 3 | V | 45.8 | Very low | 50.8 | Low | 147 Ų | 147 | 135.5 Ų | 135.5 | 89% | 0.891 | 82% | 0.821 | S | S | * | * | | | trans | -105 | 150.8 | -167.9 | 174.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 4 | G | 47.4 | Very low | 50.9 | Low | 55 Ų | 55 | 139.6 Ų | 139.6 | 57% | 0.567 | 83% | 0.827 | S | S | * | * | | | trans | 101.1 | 125.3 | 147.1 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 5 | N | 56.5 | Low | 50.9 | Low | 141 Ų | 141 | 145.9 Ų | 145.9 | 75% | 0.754 | 83% | 0.83 | S | S | * | * | | | | 179.3 | 150.9 | 96.8 | -89.9 | -14.4 | 0 | 0 | 0 | 112.9 | Y7 | N5-Y7 HydrophobicContact CB-CE2 4.44Š|
| 6 | S | 41.8 | Very low | 51 | Low | 112 Ų | 112 | 151.7 Ų | 151.7 | 78% | 0.783 | 84% | 0.835 | S | S | * | * | | | trans | -141.7 | 121.2 | 172.9 | -65.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 7 | Y | 55.7 | Low | 50.9 | Low | 198 Ų | 198 | 154.9 Ų | 154.9 | 78% | 0.776 | 84% | 0.838 | S | S | * | * | | | trans | -149.2 | 121.2 | 171.5 | -65.5 | -76.9 | 0 | 0 | 0 | 106.7 | N5 | N5-Y7 HydrophobicContact CB-CE2 4.44Š|
| 8 | S | 49.7 | Very low | 51 | Low | 103 Ų | 103 | 150 Ų | 150 | 72% | 0.72 | 83% | 0.83 | S | S | * | * | | | | 64 | 116.8 | 74.1 | -158.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 9 | T | 52.3 | Low | 51.1 | Low | 127 Ų | 127 | 149.8 Ų | 149.8 | 78% | 0.779 | 83% | 0.826 | S | S | * | * | | | | -164.7 | 148.6 | 61.8 | 36.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 10 | K | 52.2 | Low | 50.9 | Low | 199 Ų | 199 | 150 Ų | 150 | 87% | 0.865 | 82% | 0.821 | S | S | * | * | | | | 81.7 | 154.3 | 64.2 | -96.9 | -161.3 | 176.4 | -179.9 | 0 | 115.6 | | |
| 11 | P | 52 | Low | 51 | Low | 122 Ų | 122 | 151.9 Ų | 151.9 | 79% | 0.792 | 82% | 0.823 | S | S | * | * | | | | -135.1 | 177.6 | -121.8 | 43.4 | -26.6 | 0 | 0 | 0 | 117.9 | | |
| 12 | G | 46 | Very low | 51 | Low | 80 Ų | 80 | 149.8 Ų | 149.8 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | | | trans | 109.3 | 133.6 | 143 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 13 | A | 53.4 | Low | 50.4 | Low | 108 Ų | 108 | 147.5 Ų | 147.5 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | | | trans | -153.6 | 139.3 | 160.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 14 | H | 52.2 | Low | 50.5 | Low | 193 Ų | 193 | 144.4 Ų | 144.4 | 89% | 0.894 | 81% | 0.81 | S | S | * | * | | | trans | -105.3 | 178.2 | -171.3 | -97.6 | -69.4 | 0 | 0 | 0 | 113.9 | | |
| 15 | R | 50.6 | Low | 50.6 | Low | 233 Ų | 233 | 149.6 Ų | 149.6 | 88% | 0.879 | 82% | 0.823 | S | S | * | * | | | trans | 82.1 | 132.9 | 154.4 | -84 | 175.1 | 171 | -178.5 | -3.1 | 116.1 | | |
| 16 | R | 53 | Low | 50.5 | Low | 239 Ų | 239 | 151.5 Ų | 151.5 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | | | cis | -150.1 | 163.7 | 44.5 | -71.2 | 179.2 | 177.9 | -160 | -2.8 | 113.6 | | |
| 17 | K | 48.9 | Very low | 50.5 | Low | 207 Ų | 207 | 153.4 Ų | 153.4 | 90% | 0.9 | 82% | 0.823 | S | S | * | * | | | trans | -105.2 | 155.7 | 167.2 | -66.7 | -178.1 | 175.9 | -176 | 0 | 110.6 | | |
| 18 | G | 53.3 | Low | 50.2 | Low | 66 Ų | 66 | 148.6 Ų | 148.6 | 68% | 0.68 | 82% | 0.816 | S | S | * | * | | | trans | -149.1 | 125.8 | 148.1 | 0 | 0 | 0 | 0 | 0 | 106.1 | | |
| 19 | L | 53.1 | Low | 50 | Low | 147 Ų | 147 | 149.3 Ų | 149.3 | 77% | 0.77 | 82% | 0.816 | S | S | * | * | | | | 47.6 | 128.1 | 70.9 | -82.2 | 82.2 | 0 | 0 | 0 | 111 | | |
| 20 | E | 46.7 | Very low | 49.9 | Very low | 152 Ų | 152 | 146.9 Ų | 146.9 | 71% | 0.71 | 82% | 0.817 | S | S | * | * | | | cis | 173.3 | 153 | -3.3 | -123.9 | 178.5 | 147.3 | 0 | 0 | 103.3 | | |
| 21 | H | 54.1 | Low | 49.3 | Very low | 190 Ų | 190 | 145.1 Ų | 145.1 | 88% | 0.88 | 82% | 0.817 | S | S | * | * | | | trans | 172.9 | 120.1 | 136.3 | -98.5 | 61.2 | 0 | 0 | 0 | 109.7 | | |
| 22 | Q | 47.1 | Very low | 48.8 | Very low | 193 Ų | 193 | 144.8 Ų | 144.8 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | | | trans | -96.1 | 155.8 | 164.7 | -59.6 | 177.3 | 33.8 | 0 | 0 | 108.7 | | |
| 23 | G | 46.9 | Very low | 48.7 | Very low | 85 Ų | 85 | 148.8 Ų | 148.8 | 88% | 0.876 | 82% | 0.819 | S | S | * | * | | | trans | 159.3 | 134 | 165 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 24 | G | 47.4 | Very low | 48.3 | Very low | 83 Ų | 83 | 151.5 Ų | 151.5 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | | | trans | 125.6 | 71 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 25 | I | 49 | Very low | 47.5 | Very low | 164 Ų | 164 | 148.3 Ų | 148.3 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | | | trans | -87.9 | 128.7 | 164.8 | -60.2 | 171.9 | 0 | 0 | 0 | 107.9 | | |
| 26 | H | 54.4 | Low | 47.1 | Very low | 180 Ų | 180 | 142.6 Ų | 142.6 | 83% | 0.833 | 80% | 0.8 | S | S | * | * | | | trans | -158.1 | 105.5 | 157.9 | -129.7 | -90.2 | 0 | 0 | 0 | 111.9 | | |
| 27 | E | 43.6 | Very low | 46.5 | Very low | 153 Ų | 153 | 136.4 Ų | 136.4 | 72% | 0.715 | 79% | 0.794 | S | S | * | * | | | trans | -105.9 | 142.1 | 151.5 | -111.9 | -80 | 144.9 | 0 | 0 | 104.4 | T29 | E27-T29 PolarHBondContact OE2-N 3.24Š|
| 28 | P | 49.1 | Very low | 45.9 | Very low | 97 Ų | 97 | 135.5 Ų | 135.5 | 63% | 0.63 | 79% | 0.793 | S | S | * | * | | | | -148.3 | 144 | 88.7 | 36.6 | -18.9 | 0 | 0 | 0 | 116.2 | | |
| 29 | T | 45.7 | Very low | 45.1 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 72% | 0.718 | 80% | 0.798 | S | S | * | * | | | | 46.3 | 113.5 | 124.4 | -47.1 | 0 | 0 | 0 | 0 | 118.2 | E27 | E27-T29 PolarHBondContact OE2-N 3.24Š|
| 30 | G | 48.6 | Very low | 44.4 | Very low | 77 Ų | 77 | 140 Ų | 140 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | | | trans | -162.6 | 101.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 31 | D | 40.3 | Very low | 44.2 | Very low | 161 Ų | 161 | 137.8 Ų | 137.8 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | | | trans | -64.6 | 134.4 | 178.7 | -65.6 | -63.2 | 0 | 0 | 0 | 112.9 | | |
| 32 | S | 42 | Very low | 43.3 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | | | trans | -159.8 | 128.9 | 145.9 | -161.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 33 | L | 42.8 | Very low | 43 | Very low | 164 Ų | 164 | 132.2 Ų | 132.2 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | | | trans | -85.8 | 122 | -176.7 | -66.7 | 164 | 0 | 0 | 0 | 111.6 | | |
| 34 | Q | 44.6 | Very low | 42.6 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | | | trans | -148.3 | 116.6 | 159.9 | -75.9 | -59.1 | -47.9 | 0 | 0 | 110.9 | | |
| 35 | P | 36.1 | Very low | 41.9 | Very low | 126 Ų | 126 | 140.3 Ų | 140.3 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -101.1 | 98.9 | 171.3 | 34.2 | -25.8 | 0 | 0 | 0 | 110.8 | | |
| 36 | V | 43.1 | Very low | 41.4 | Very low | 113 Ų | 113 | 139 Ų | 139 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | | | trans | -132.3 | 116.9 | 178.7 | -175.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 37 | S | 39.2 | Very low | 40.6 | Very low | 109 Ų | 109 | 141.6 Ų | 141.6 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | | | trans | 43.8 | 102.8 | 163.5 | 63.7 | 0 | 0 | 0 | 0 | 119.4 | | |
| 38 | Q | 36.8 | Very low | 40.2 | Very low | 189 Ų | 189 | 141 Ų | 141 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | | | trans | -72 | 135.9 | 152.2 | -62.7 | 171.8 | -14.9 | 0 | 0 | 110.2 | | |
| 39 | T | 35.8 | Very low | 39.7 | Very low | 129 Ų | 129 | 145.5 Ų | 145.5 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | | | trans | 150.9 | 87.6 | 140.1 | -61.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 40 | E | 38.8 | Very low | 39.2 | Very low | 178 Ų | 178 | 149.8 Ų | 149.8 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | | | trans | -107.9 | 113.1 | 164.8 | -91.8 | -66 | 145.9 | 0 | 0 | 109 | L42 | E40-L42 PolarHBondContact O-N 2.73Š|
| 41 | P | 42.2 | Very low | 38.7 | Very low | 106 Ų | 106 | 151.2 Ų | 151.2 | 69% | 0.688 | 80% | 0.795 | S | S | * | * | | | trans | -79.6 | 105.7 | 179.5 | 30.5 | -31.4 | 0 | 0 | 0 | 110.6 | A43 | P41-A43 PolarHBondContact O-N 2.98Š|
| 42 | L | 36.3 | Very low | 38.8 | Very low | 165 Ų | 165 | 150 Ų | 150 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | | | trans | -38.7 | 105.7 | 172.1 | -92.4 | 162.1 | 0 | 0 | 0 | 112.6 | E40 R44 | E40-L42 PolarHBondContact O-N 2.73Å; L42-R44 VanDerWaalsContact C-N 3.34Å; L42-R44 PolarHBondContact O-N 2.97Å |
| 43 | A | 40.9 | Very low | 39.4 | Very low | 100 Ų | 100 | 148 Ų | 148 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | | | trans | -65.2 | 89.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | P41 S45 | P41-A43 PolarHBondContact O-N 2.98Å; A43-S45 PolarHBondContact O-N 3.18Å |
| 44 | R | 37 | Very low | 39.7 | Very low | 226 Ų | 226 | 146.2 Ų | 146.2 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | | | trans | -62.7 | 103.1 | 174.6 | -71.8 | -178.2 | 179.3 | 168.9 | 0.9 | 109.2 | L42 L46 | L42-R44 VanDerWaalsContact C-N 3.34Å; L42-R44 PolarHBondContact O-N 2.97Å; R44-L46 PolarHBondContact O-N 3.01Å |
| 45 | S | 34.7 | Very low | 40 | Very low | 112 Ų | 112 | 141.9 Ų | 141.9 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | | | trans | -60.8 | 94.1 | 174.4 | -179.6 | 0 | 0 | 0 | 0 | 110.9 | A43 R47 | A43-S45 PolarHBondContact O-N 3.18Å; S45-R47 PolarHBondContact O-N 3.22Å; S45-R47 VanDerWaalsContact O-N 3.14Å |
| 46 | L | 36.9 | Very low | 40.3 | Very low | 137 Ų | 137 | 140.7 Ų | 140.7 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | | | trans | -68.6 | 106.3 | 178.6 | -68.4 | 172.9 | 0 | 0 | 0 | 109.7 | R44 N48 | R44-L46 PolarHBondContact O-N 3.01Å; L46-N48 VanDerWaalsContact C-N 3.34Å; L46-N48 PolarHBondContact O-N 2.86Å |
| 47 | R | 37.5 | Very low | 40.2 | Very low | 234 Ų | 234 | 141.1 Ų | 141.1 | 88% | 0.883 | 76% | 0.755 | S | S | * | * | | | trans | -71.6 | 85.8 | 177.1 | -62.7 | -170.1 | -158.1 | -135.7 | 6.5 | 111 | S45 K49 | S45-R47 PolarHBondContact O-N 3.22Å; S45-R47 VanDerWaalsContact O-N 3.14Å; R47-K49 PolarHBondContact O-N 3.4Å |
| 48 | N | 36.2 | Very low | 39.8 | Very low | 140 Ų | 140 | 146.3 Ų | 146.3 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | | | trans | -62.2 | 101.3 | 173.8 | -68.2 | -44.3 | 0 | 0 | 0 | 111.4 | L46 | L46-N48 VanDerWaalsContact C-N 3.34Å; L46-N48 PolarHBondContact O-N 2.86Å |
| 49 | K | 37.7 | Very low | 40 | Very low | 193 Ų | 193 | 139.8 Ų | 139.8 | 84% | 0.839 | 73% | 0.734 | S | S | * | * | | | trans | -80 | 129.6 | 168.4 | -71.3 | -175.9 | 179.2 | 179.1 | 0 | 109.6 | R47 | R47-K49 PolarHBondContact O-N 3.4Š|
| 50 | R | 34.9 | Very low | 40.3 | Very low | 207 Ų | 207 | 137.6 Ų | 137.6 | 78% | 0.781 | 71% | 0.711 | S | S | * | * | | | trans | -105 | 121.3 | 176.5 | -65.8 | 178.5 | 174.4 | -155.4 | -4.6 | 108.8 | | |
| 51 | V | 38.1 | Very low | 40.5 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 64% | 0.642 | 69% | 0.694 | S | S | * | * | | | trans | -107.7 | 137.9 | 169.5 | -172.5 | 0 | 0 | 0 | 0 | 107.9 | V53 | V51-V53 HydrophobicContact CG1-CG2 3.81Š|
| 52 | I | 43.1 | Very low | 40.5 | Very low | 135 Ų | 135 | 134 Ų | 134 | 69% | 0.692 | 70% | 0.695 | S | S | * | * | | | trans | -122.8 | 114.1 | 173.1 | -59.4 | 175.6 | 0 | 0 | 0 | 105.8 | | |
| 53 | V | 55.6 | Low | 40.5 | Very low | 75 Ų | 75 | 130 Ų | 130 | 46% | 0.455 | 67% | 0.672 | S | S | . | * | | | trans | -112.1 | 130.8 | 176.2 | -172.6 | 0 | 0 | 0 | 0 | 108.2 | V51 P55 F64 | V51-V53 HydrophobicContact CG1-CG2 3.81Å; V53-P55 WeakPolarHBondContact O-CD 3.21Å; V53-F64 HydrophobicContact CG1-CE1 4.25Å; V53-F64 HydrophobicContact CG1-CZ 3.91Å |
| 54 | T | 48.6 | Very low | 40.6 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 77% | 0.773 | 65% | 0.648 | S | S | * | * | | | trans | -101.4 | 95.5 | 171.9 | -55.4 | 0 | 0 | 0 | 0 | 108 | A56 | T54-A56 PolarHBondContact O-N 2.78Å; T54-A56 VanDerWaalsContact O-N 3.08Å |
| 55 | P | 51.3 | Low | 40.6 | Very low | 74 Ų | 74 | 122.3 Ų | 122.3 | 48% | 0.481 | 63% | 0.631 | S | S | . | * | | | trans | -68 | 109 | 177.6 | 27.1 | -33.3 | 0 | 0 | 0 | 109.8 | V53 V57 P59 | V53-P55 WeakPolarHBondContact O-CD 3.21Å; P55-V57 VanDerWaalsContact C-N 3.31Å; P55-P59 HydrophobicContact CB-CG 3.9Å |
| 56 | A | 41.5 | Very low | 41 | Very low | 101 Ų | 101 | 124.8 Ų | 124.8 | 84% | 0.835 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -76.4 | -22.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T54 | T54-A56 PolarHBondContact O-N 2.78Å; T54-A56 VanDerWaalsContact O-N 3.08Å |
| 57 | V | 40.7 | Very low | 40.8 | Very low | 121 Ų | 121 | 126.2 Ų | 126.2 | 73% | 0.733 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -141.7 | 147.2 | 171.6 | 179.9 | 0 | 0 | 0 | 0 | 105.9 | P55 P59 | P55-V57 VanDerWaalsContact C-N 3.31Å; V57-P59 WeakPolarHBondContact O-CD 3.23Å; V57-P59 VanDerWaalsContact O-CG 3.23Å; V57-P59 WeakPolarHBondContact O-CG 3.46Å; V57-P59 VanDerWaalsContact O-N 3.1Å |
| 58 | Y | 31.6 | Very low | 40.6 | Very low | 219 Ų | 219 | 121 Ų | 121 | 86% | 0.859 | 62% | 0.619 | S | S | * | * | | | trans | -54.6 | 108.9 | 178.2 | -87.9 | -92.3 | 0 | 0 | 0 | 111.8 | | |
| 59 | P | 40.9 | Very low | 40.4 | Very low | 52 Ų | 52 | 120.7 Ų | 120.7 | 34% | 0.338 | 62% | 0.616 | S | S | . | * | | | trans | -92.7 | 133.3 | 177 | 0.8 | 22.3 | 0 | 0 | 0 | 108.3 | P55 V57 L61 F64 | P55-P59 HydrophobicContact CB-CG 3.9Å; V57-P59 WeakPolarHBondContact O-CD 3.23Å; V57-P59 VanDerWaalsContact O-CG 3.23Å; V57-P59 WeakPolarHBondContact O-CG 3.46Å; V57-P59 VanDerWaalsContact O-N 3.1Å; P59-L61 PolarHBondContact O-N 3.13Å; P59-F64 HydrophobicContact CB-CD2 3.98Å; P59-F64 HydrophobicContact CB-CE2 3.39Å; P59-F64 HydrophobicContact CB-CZ 3.71Å; P59-F64 HydrophobicContact CG-CD2 4.48Å; P59-F64 HydrophobicContact CG-CE2 3.45Å; P59-F64 VanDerWaalsContact CG-CE2 3.45Å; P59-F64 HydrophobicContact CG-CZ 3.58Å |
| 60 | R | 41 | Very low | 40.3 | Very low | 82 Ų | 82 | 120.1 Ų | 120.1 | 31% | 0.309 | 62% | 0.617 | S | S | . | * | | | trans | -67.4 | 129.2 | -172.9 | -61.4 | 160.6 | 72.6 | -157.6 | 14.2 | 108 | V62 E63 F64 | R60-V62 PolarHBondContact O-N 3.14Å; R60-E63 HydrophobicContact CB-CB 4.36Å; R60-E63 HydrophobicContact CB-CG 4.2Å; R60-E63 WeakPolarHBondContact CB-OE2 3.1Å; R60-E63 WeakPolarHBondContact CD-OE1 3.23Å; R60-E63 WeakPolarHBondContact CD-OE2 3.21Å; R60-E63 IonicContact CZ-OE1 2.97Å; R60-E63 IonicContact NE-OE1 3.49Å; R60-E63 IonicContact NH1-OE1 2.79Å; R60-E63 PolarHBondContact NH1-OE1 2.76Å; R60-E63 WeakPolarHBondContact O-CB 3.34Å; R60-E63 PolarHBondContact O-N 3.09Å; R60-F64 PolarHBondContact O-N 3.27Å |
| 61 | L | 43 | Very low | 39.9 | Very low | 91 Ų | 91 | 113.6 Ų | 113.6 | 48% | 0.476 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -53.7 | -28.4 | -177.7 | -95.4 | 154 | 0 | 0 | 0 | 113.5 | P59 I334 | P59-L61 PolarHBondContact O-N 3.13Å; L61-I334 HydrophobicContact CD2-CD1 4.08Å |
| 62 | V | 42.2 | Very low | 39.6 | Very low | 117 Ų | 117 | 115.4 Ų | 115.4 | 71% | 0.709 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -73.7 | -34.3 | 174.6 | 171.1 | 0 | 0 | 0 | 0 | 112.9 | R60 L65 | R60-V62 PolarHBondContact O-N 3.14Å; V62-L65 PolarHBondContact O-N 3.23Å |
| 63 | E | 37.7 | Very low | 39 | Very low | 82 Ų | 82 | 112.9 Ų | 112.9 | 38% | 0.383 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -72.7 | -38.7 | 178.4 | -75.1 | 165.2 | 175.4 | 0 | 0 | 111.3 | R60 L65 H66 F67 | R60-E63 HydrophobicContact CB-CB 4.36Å; R60-E63 HydrophobicContact CB-CG 4.2Å; R60-E63 WeakPolarHBondContact CB-OE2 3.1Å; R60-E63 WeakPolarHBondContact CD-OE1 3.23Å; R60-E63 WeakPolarHBondContact CD-OE2 3.21Å; R60-E63 IonicContact CZ-OE1 2.97Å; R60-E63 IonicContact NE-OE1 3.49Å; R60-E63 IonicContact NH1-OE1 2.79Å; R60-E63 PolarHBondContact NH1-OE1 2.76Å; R60-E63 WeakPolarHBondContact O-CB 3.34Å; R60-E63 PolarHBondContact O-N 3.09Å; E63-L65 PolarHBondContact O-N 2.94Å; E63-H66 PolarHBondContact O-N 3.38Å; E63-F67 PolarHBondContact O-N 3.04Å |
| 64 | F | 41.5 | Very low | 37.7 | Very low | 72 Ų | 72 | 117.2 Ų | 117.2 | 32% | 0.316 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -57.1 | -36.9 | 173.5 | -90.5 | -55.2 | 0 | 0 | 0 | 113.4 | V53 P59 R60 H66 | V53-F64 HydrophobicContact CG1-CE1 4.25Å; V53-F64 HydrophobicContact CG1-CZ 3.91Å; P59-F64 HydrophobicContact CB-CD2 3.98Å; P59-F64 HydrophobicContact CB-CE2 3.39Å; P59-F64 HydrophobicContact CB-CZ 3.71Å; P59-F64 HydrophobicContact CG-CD2 4.48Å; P59-F64 HydrophobicContact CG-CE2 3.45Å; P59-F64 VanDerWaalsContact CG-CE2 3.45Å; P59-F64 HydrophobicContact CG-CZ 3.58Å; R60-F64 PolarHBondContact O-N 3.27Å; F64-H66 PolarHBondContact O-N 3.24Å |
| 65 | L | 38.1 | Very low | 36.8 | Very low | 93 Ų | 93 | 121.8 Ų | 121.8 | 49% | 0.487 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -71.2 | -17.2 | 177.6 | -81.6 | 159.3 | 0 | 0 | 0 | 113.2 | V62 E63 | V62-L65 PolarHBondContact O-N 3.23Å; E63-L65 PolarHBondContact O-N 2.94Å |
| 66 | H | 41.8 | Very low | 36.1 | Very low | 163 Ų | 163 | 123 Ų | 123 | 76% | 0.755 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -115.4 | -14.2 | -172.4 | -156.2 | -85.5 | 0 | 0 | 0 | 114.5 | E63 F64 | E63-H66 PolarHBondContact O-N 3.38Å; F64-H66 PolarHBondContact O-N 3.24Å |
| 67 | F | 33.1 | Very low | 35.5 | Very low | 167 Ų | 167 | 126.1 Ų | 126.1 | 73% | 0.732 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -117.3 | -17.1 | -171.9 | -100.5 | -86.8 | 0 | 0 | 0 | 117.6 | E63 | E63-F67 PolarHBondContact O-N 3.04Å |
| 68 | D | 34.7 | Very low | 35.1 | Very low | 124 Ų | 124 | 126 Ų | 126 | 66% | 0.663 | 66% | 0.657 | S | S | * | * | | | trans | -142.5 | 51 | -169 | -155.4 | 16.1 | 0 | 0 | 0 | 115.7 | | |
| 69 | I | 31.2 | Very low | 35.1 | Very low | 134 Ų | 134 | 120.6 Ų | 120.6 | 69% | 0.687 | 65% | 0.646 | S | S | * | * | | | trans | -118.9 | 48.9 | 158.2 | -41 | -179.1 | 0 | 0 | 0 | 109.5 | S71 | I69-S71 VanDerWaalsContact C-N 3.28Å; I69-S71 PolarHBondContact O-N 2.79Å |
| 70 | Q | 34.7 | Very low | 34.5 | Very low | 181 Ų | 181 | 123.9 Ų | 123.9 | 85% | 0.846 | 66% | 0.661 | S | S | * | * | | | trans | -72.5 | 89.7 | 163 | -72.9 | -161.8 | -9 | 0 | 0 | 108.7 | T72 | Q70-T72 PolarHBondContact O-N 3.41Š|
| 71 | S | 27.9 | Very low | 34.1 | Very low | 71 Ų | 71 | 125.2 Ų | 125.2 | 50% | 0.497 | 68% | 0.678 | S | S | . | * | | | trans | -58.8 | 126.7 | -179 | 59.6 | 0 | 0 | 0 | 0 | 111.3 | I69 G73 | I69-S71 VanDerWaalsContact C-N 3.28Å; I69-S71 PolarHBondContact O-N 2.79Å; S71-G73 PolarHBondContact O-N 3.49Å |
| 72 | T | 32.4 | Very low | 33.6 | Very low | 143 Ų | 143 | 126.8 Ų | 126.8 | 88% | 0.877 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | 108.7 | 171.6 | 39.7 | 0 | 0 | 0 | 0 | 111.3 | Q70 | Q70-T72 PolarHBondContact O-N 3.41Š|
| 73 | G | 29.5 | Very low | 33.1 | Very low | 82 Ų | 82 | 129.3 Ų | 129.3 | 85% | 0.845 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 89 | 7.8 | 154.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | S71 | S71-G73 PolarHBondContact O-N 3.49Š|
| 74 | Q | 27.6 | Very low | 32.9 | Very low | 167 Ų | 167 | 136.4 Ų | 136.4 | 78% | 0.78 | 71% | 0.714 | S | S | * | * | | | trans | -135.1 | 126.2 | 169.1 | -87.4 | -172.6 | -20.9 | 0 | 0 | 112.8 | S76 | Q74-S76 PolarHBondContact O-N 3.32Å; Q74-S76 VanDerWaalsContact O-N 3.15Å |
| 75 | K | 31.5 | Very low | 32.6 | Very low | 222 Ų | 222 | 139 Ų | 139 | 97% | 0.965 | 74% | 0.738 | S | S | * | * | | | trans | -67.5 | 103.2 | 167.9 | -79.6 | 179 | 170 | 179.4 | 0 | 109.3 | | |
| 76 | S | 34.9 | Very low | 32.4 | Very low | 99 Ų | 99 | 139.4 Ų | 139.4 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | | | trans | -85.4 | 139.4 | 157.9 | 51 | 0 | 0 | 0 | 0 | 109.5 | Q74 C78 | Q74-S76 PolarHBondContact O-N 3.32Å; Q74-S76 VanDerWaalsContact O-N 3.15Å; S76-C78 PolarHBondContact O-N 2.93Å |
| 77 | H | 29.1 | Very low | 32.1 | Very low | 167 Ų | 167 | 137.8 Ų | 137.8 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | | | trans | -78 | 114.7 | -176 | -175.1 | -65.3 | 0 | 0 | 0 | 110 | V79 | H77-V79 PolarHBondContact O-N 2.81Š|
| 78 | C | 33 | Very low | 31.9 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | | | trans | -65.3 | 98.7 | 171.4 | -56.2 | 0 | 0 | 0 | 0 | 109.4 | S76 N80 | S76-C78 PolarHBondContact O-N 2.93Å; C78-N80 PolarHBondContact O-N 2.87Å |
| 79 | V | 30.7 | Very low | 31.7 | Very low | 105 Ų | 105 | 132.2 Ų | 132.2 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | | | trans | -79.2 | 100.7 | 166.3 | 179.3 | 0 | 0 | 0 | 0 | 107 | H77 T81 | H77-V79 PolarHBondContact O-N 2.81Å; V79-T81 HydrophobicContact CG1-CG2 4.16Å; V79-T81 PolarHBondContact O-N 2.95Å; V79-T81 VanDerWaalsContact O-N 3.13Å |
| 80 | N | 29.7 | Very low | 31.9 | Very low | 120 Ų | 120 | 127.8 Ų | 127.8 | 64% | 0.642 | 70% | 0.7 | S | S | * | * | | | trans | -67.6 | 105.9 | 168.3 | -173 | 46.2 | 0 | 0 | 0 | 108.4 | C78 D82 | C78-N80 PolarHBondContact O-N 2.87Å; N80-D82 VanDerWaalsContact ND2-CG 3.25Å; N80-D82 PolarHBondContact ND2-OD1 3.15Å; N80-D82 PolarHBondContact ND2-OD2 3.15Å; N80-D82 VanDerWaalsContact ND2-OD2 3.14Å |
| 81 | T | 32.4 | Very low | 32 | Very low | 111 Ų | 111 | 120.6 Ų | 120.6 | 68% | 0.681 | 67% | 0.668 | S | S | * | * | | | trans | -103.4 | 103.5 | 167.1 | 33.9 | 0 | 0 | 0 | 0 | 108.6 | V79 H83 | V79-T81 HydrophobicContact CG1-CG2 4.16Å; V79-T81 PolarHBondContact O-N 2.95Å; V79-T81 VanDerWaalsContact O-N 3.13Å; T81-H83 PolarHBondContact O-N 3.35Å |
| 82 | D | 31.8 | Very low | 32.5 | Very low | 124 Ų | 124 | 120.2 Ų | 120.2 | 66% | 0.663 | 66% | 0.659 | S | S | * | * | | | trans | -68.2 | 28.6 | -176.6 | -62 | -67.4 | 0 | 0 | 0 | 114.6 | N80 | N80-D82 VanDerWaalsContact ND2-CG 3.25Å; N80-D82 PolarHBondContact ND2-OD1 3.15Å; N80-D82 PolarHBondContact ND2-OD2 3.15Å; N80-D82 VanDerWaalsContact ND2-OD2 3.14Å |
| 83 | H | 31.9 | Very low | 32.7 | Very low | 169 Ų | 169 | 115.7 Ų | 115.7 | 78% | 0.782 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -131.5 | 87.8 | -167.4 | -72.8 | -11.1 | 0 | 0 | 0 | 113.1 | T81 | T81-H83 PolarHBondContact O-N 3.35Š|
| 84 | R | 33.4 | Very low | 33 | Very low | 232 Ų | 232 | 117.7 Ų | 117.7 | 88% | 0.875 | 62% | 0.617 | S | S | * | * | | | trans | 68.8 | 124.8 | 150.9 | -166.8 | 180 | -178.7 | -176.9 | 1 | 115.8 | S86 | R84-S86 PolarHBondContact O-N 2.91Å; R84-S86 VanDerWaalsContact O-N 3.09Å |
| 85 | P | 35 | Very low | 33.3 | Very low | 125 Ų | 125 | 113.1 Ų | 113.1 | 81% | 0.812 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 117.5 | 179.1 | 26.2 | -33.6 | 0 | 0 | 0 | 110.8 | | |
| 86 | S | 34.5 | Very low | 33.5 | Very low | 102 Ų | 102 | 106.2 Ų | 106.2 | 71% | 0.713 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 144.2 | 168.6 | 45.2 | 0 | 0 | 0 | 0 | 110.1 | R84 C88 | R84-S86 PolarHBondContact O-N 2.91Å; R84-S86 VanDerWaalsContact O-N 3.09Å; S86-C88 PolarHBondContact O-N 3.17Å |
| 87 | Q | 35 | Very low | 33.5 | Very low | 129 Ų | 129 | 104.9 Ų | 104.9 | 60% | 0.603 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 117.8 | 178.3 | -68.1 | 173.5 | -10 | 0 | 0 | 109.5 | F89 | Q87-F89 HydrophobicContact CB-CE2 4.18Š|
| 88 | C | 29 | Very low | 33.9 | Very low | 86 Ų | 86 | 102.8 Ų | 102.8 | 58% | 0.581 | 57% | 0.572 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.5 | 115.3 | 174.8 | -66.1 | 0 | 0 | 0 | 0 | 110.1 | S86 | S86-C88 PolarHBondContact O-N 3.17Å |
| 89 | F | 31.7 | Very low | 33.9 | Very low | 88 Ų | 88 | 100.6 Ų | 100.6 | 39% | 0.386 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.5 | 128.2 | 170.4 | -59.6 | -96.8 | 0 | 0 | 0 | 109.1 | Q87 N106 | Q87-F89 HydrophobicContact CB-CE2 4.18Å; F89-N106 WeakPolarHBondContact CE1-OD1 3.28Å |
| 90 | V | 34.7 | Very low | 34 | Very low | 41 Ų | 41 | 101.1 Ų | 101.1 | 25% | 0.248 | 56% | 0.562 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.7 | 113.9 | 175.6 | 179.7 | 0 | 0 | 0 | 0 | 107.7 | I92 I334 | V90-I92 HydrophobicContact CG1-CG1 4.15Å; V90-I334 HydrophobicContact CG1-CB 4.46Å; V90-I334 HydrophobicContact CG1-CD1 3.47Å; V90-I334 VanDerWaalsContact CG1-CD1 3.47Å; V90-I334 HydrophobicContact CG1-CG1 3.83Å |
| 91 | L | 36.1 | Very low | 34.2 | Very low | 31 Ų | 31 | 100.2 Ų | 100.2 | 16% | 0.162 | 56% | 0.564 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.6 | 112.5 | 174.7 | -172.9 | 61.9 | 0 | 0 | 0 | 109.6 | I93 L104 V332 Y333 I334 | L91-I93 HydrophobicContact CD2-CD1 4.18Å; L91-I93 HydrophobicContact CD2-CG1 4.23Å; L91-I93 HydrophobicContact CG-CG1 4.09Å; L91-L104 HydrophobicContact CD1-CD2 4.38Å; L91-V332 PolarHBondContact N-O 3.08Å; L91-V332 VanDerWaalsContact N-O 3.11Å; L91-Y333 HydrophobicContact CB-CD1 4.2Å; L91-Y333 HydrophobicContact CD2-CD1 3.83Å; L91-Y333 HydrophobicContact CD2-CE1 3.62Å; L91-Y333 HydrophobicContact CG-CD1 4.34Å; L91-Y333 CarbonylContact O-C 3.59Å; L91-Y333 VanDerWaalsContact O-CA 3.32Å; L91-Y333 WeakPolarHBondContact O-CA 3.19Å; L91-I334 PolarHBondContact O-N 3.44Å |
| 92 | I | 38.5 | Very low | 34.4 | Very low | 62 Ų | 62 | 101.4 Ų | 101.4 | 32% | 0.318 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92 | 118 | 175.3 | -53.3 | 179.7 | 0 | 0 | 0 | 108.2 | V90 I334 V336 | V90-I92 HydrophobicContact CG1-CG1 4.15Å; I92-I334 CarbonylContact C-O 3.57Å; I92-I334 VanDerWaalsContact CA-O 3.24Å; I92-I334 WeakPolarHBondContact CA-O 3.28Å; I92-I334 HydrophobicContact CG1-CB 4.37Å; I92-I334 WeakPolarHBondContact CG2-O 3.46Å; I92-V336 HydrophobicContact CG2-CG2 4.32Å |
| 93 | I | 37 | Very low | 34.7 | Very low | 49 Ų | 49 | 103.6 Ų | 103.6 | 25% | 0.251 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.1 | 123.7 | 175.3 | -57.7 | 178.1 | 0 | 0 | 0 | 108.4 | L91 Y333 I334 F335 | L91-I93 HydrophobicContact CD2-CD1 4.18Å; L91-I93 HydrophobicContact CD2-CG1 4.23Å; L91-I93 HydrophobicContact CG-CG1 4.09Å; I93-Y333 HydrophobicContact CD1-CD1 3.72Å; I93-Y333 HydrophobicContact CD1-CE1 4.23Å; I93-Y333 HydrophobicContact CG1-CD1 4.49Å; I93-I334 PolarHBondContact N-O 2.89Å; I93-F335 HydrophobicContact CB-CD1 3.66Å; I93-F335 HydrophobicContact CB-CE1 3.51Å; I93-F335 HydrophobicContact CB-CZ 4.25Å; I93-F335 HydrophobicContact CD1-CE1 4.02Å; I93-F335 HydrophobicContact CD1-CZ 4.03Å; I93-F335 HydrophobicContact CG1-CE1 4.3Å; I93-F335 HydrophobicContact CG2-CD1 3.88Å; I93-F335 HydrophobicContact CG2-CE1 3.56Å; I93-F335 VanDerWaalsContact O-CA 3.29Å; I93-F335 WeakPolarHBondContact O-CA 3.43Å; I93-F335 WeakPolarHBondContact O-CD1 3.24Å |
| 94 | Q | 35.8 | Very low | 34.7 | Very low | 124 Ų | 124 | 101.9 Ų | 101.9 | 58% | 0.579 | 56% | 0.557 | S | S | * | * | | | trans | -93.5 | 106.7 | 176.8 | -172.5 | 178.6 | -31.3 | 0 | 0 | 109.6 | D96 | Q94-D96 PolarHBondContact O-N 3.34Å; Q94-D96 VanDerWaalsContact O-N 3.14Å |
| 95 | S | 34.1 | Very low | 34.8 | Very low | 71 Ų | 71 | 96.8 Ų | 96.8 | 50% | 0.497 | 54% | 0.541 | S | S | . | . | | | trans | -72.7 | 0.7 | -175.2 | -55.7 | 0 | 0 | 0 | 0 | 115.5 | F335 | S95-F335 WeakPolarHBondContact OG-CD1 3.42Š|
| 96 | D | 35.8 | Very low | 34.7 | Very low | 76 Ų | 76 | 97 Ų | 97 | 41% | 0.406 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -109.3 | 24 | -161.2 | -58.7 | 12.4 | 0 | 0 | 0 | 112.2 | Q94 S337 R338 | Q94-D96 PolarHBondContact O-N 3.34Å; Q94-D96 VanDerWaalsContact O-N 3.14Å; D96-S337 VanDerWaalsContact OD1-CB 3.26Å; D96-S337 WeakPolarHBondContact OD1-CB 3.32Å; D96-S337 PolarHBondContact OD1-OG 3.28Å; D96-S337 WeakPolarHBondContact OD2-CA 3.45Å; D96-S337 WeakPolarHBondContact OD2-CB 3.45Å; D96-R338 PolarHBondContact OD2-N 3.34Å |
| 97 | S | 34.6 | Very low | 34.8 | Very low | 71 Ų | 71 | 95.8 Ų | 95.8 | 50% | 0.497 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -142.1 | 144.2 | 178.3 | -175.5 | 0 | 0 | 0 | 0 | 111.4 | C99 | S97-C99 PolarHBondContact O-N 3.08Å; S97-C99 VanDerWaalsContact O-N 3.15Å; S97-C99 PolarHBondContact OG-N 3.26Å |
| 98 | S | 37.4 | Very low | 34.6 | Very low | 124 Ų | 124 | 91.8 Ų | 91.8 | 87% | 0.867 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -69.1 | 1.2 | 173.1 | 43 | 0 | 0 | 0 | 0 | 114.3 | | |
| 99 | C | 33.3 | Very low | 34.8 | Very low | 72 Ų | 72 | 98.1 Ų | 98.1 | 49% | 0.486 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -123.4 | 118.3 | 179.1 | -58.2 | 0 | 0 | 0 | 0 | 110.6 | S97 C101 | S97-C99 PolarHBondContact O-N 3.08Å; S97-C99 VanDerWaalsContact O-N 3.15Å; S97-C99 PolarHBondContact OG-N 3.26Å; C99-C101 PolarHBondContact O-N 3.11Å |
| 100 | P | 31.5 | Very low | 35 | Very low | 116 Ų | 116 | 99.2 Ų | 99.2 | 75% | 0.753 | 56% | 0.555 | S | S | * | * | | | trans | -76.4 | 85.8 | 178.7 | 30.2 | -34.1 | 0 | 0 | 0 | 112 | H102 | P100-H102 PolarHBondContact O-N 3.3Š|
| 101 | C | 35.6 | Very low | 34.7 | Very low | 102 Ų | 102 | 100.8 Ų | 100.8 | 69% | 0.689 | 58% | 0.579 | S | S | * | * | | | trans | -81 | 93.9 | 174.4 | -63.9 | 0 | 0 | 0 | 0 | 111.3 | C99 | C99-C101 PolarHBondContact O-N 3.11Š|
| 102 | H | 35.3 | Very low | 34.6 | Very low | 136 Ų | 136 | 107.4 Ų | 107.4 | 63% | 0.63 | 61% | 0.614 | S | S | * | * | | | trans | -71.7 | 126.7 | 173 | -76 | -118.8 | 0 | 0 | 0 | 111.3 | P100 | P100-H102 PolarHBondContact O-N 3.3Š|
| 103 | R | 38.2 | Very low | 34.4 | Very low | 170 Ų | 170 | 109.3 Ų | 109.3 | 64% | 0.642 | 63% | 0.633 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -121.4 | 118.1 | 164.2 | -70 | -170.8 | -174.5 | 178.6 | 3.1 | 110.2 | F105 | R103-F105 HydrophobicContact CB-CD2 4.44Å; R103-F105 HydrophobicContact CB-CE2 3.88Å |
| 104 | L | 33.3 | Very low | 34.2 | Very low | 133 Ų | 133 | 118.4 Ų | 118.4 | 70% | 0.696 | 66% | 0.664 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.4 | 131 | 169.8 | -82.4 | 156.5 | 0 | 0 | 0 | 109.5 | L91 | L91-L104 HydrophobicContact CD1-CD2 4.38Å |
| 105 | F | 35.4 | Very low | 34.2 | Very low | 124 Ų | 124 | 116.6 Ų | 116.6 | 54% | 0.544 | 67% | 0.671 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.4 | 123.5 | 170.7 | -71.3 | -82.4 | 0 | 0 | 0 | 109.7 | R103 | R103-F105 HydrophobicContact CB-CD2 4.44Å; R103-F105 HydrophobicContact CB-CE2 3.88Å |
| 106 | N | 32.5 | Very low | 34.2 | Very low | 129 Ų | 129 | 116.3 Ų | 116.3 | 69% | 0.69 | 68% | 0.679 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.8 | 110.3 | 176.5 | -77.7 | -16 | 0 | 0 | 0 | 110.7 | F89 G108 | F89-N106 WeakPolarHBondContact CE1-OD1 3.28Å; N106-G108 PolarHBondContact O-N 3.08Å |
| 107 | A | 36.5 | Very low | 34.2 | Very low | 77 Ų | 77 | 121.5 Ų | 121.5 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.3 | 77.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 108 | G | 31.4 | Very low | 34.1 | Very low | 45 Ų | 45 | 121.5 Ų | 121.5 | 46% | 0.464 | 71% | 0.705 | S | S | . | * | | | trans | -138.8 | 135.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | N106 | N106-G108 PolarHBondContact O-N 3.08Š|
| 109 | R | 31.7 | Very low | 34 | Very low | 220 Ų | 220 | 122.8 Ų | 122.8 | 83% | 0.83 | 70% | 0.697 | S | S | * | * | | | trans | -96.9 | 109.8 | -170.5 | -167.6 | -173 | -167.8 | -150.7 | 7.2 | 112.4 | | |
| 110 | S | 35.8 | Very low | 34 | Very low | 111 Ų | 111 | 125.7 Ų | 125.7 | 78% | 0.776 | 71% | 0.713 | S | S | * | * | | | trans | 166.7 | 141.9 | 155.5 | 50.5 | 0 | 0 | 0 | 0 | 107 | | |
| 111 | G | 29.4 | Very low | 34.2 | Very low | 73 Ų | 73 | 124.2 Ų | 124.2 | 75% | 0.753 | 71% | 0.71 | S | S | * | * | | | cis | 91.4 | 60.1 | 10.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 112 | L | 34.2 | Very low | 34.1 | Very low | 170 Ų | 170 | 126.3 Ų | 126.3 | 89% | 0.89 | 71% | 0.71 | S | S | * | * | | | trans | -168.2 | 138.7 | 160.1 | -105.2 | 162.7 | 0 | 0 | 0 | 111.6 | | |
| 113 | S | 34 | Very low | 34.2 | Very low | 102 Ų | 102 | 124.8 Ų | 124.8 | 71% | 0.713 | 71% | 0.71 | S | S | * | * | | | trans | 54.3 | 126 | 164.8 | -150 | 0 | 0 | 0 | 0 | 122.5 | A115 | S113-A115 VanDerWaalsContact C-N 3.32Å; S113-A115 PolarHBondContact O-N 3.32Å |
| 114 | R | 33.4 | Very low | 34.1 | Very low | 240 Ų | 240 | 123.5 Ų | 123.5 | 91% | 0.906 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 68 | 173.4 | -173.7 | -174.6 | -173.9 | -173.6 | 2.2 | 110.6 | | |
| 115 | A | 35.7 | Very low | 34.2 | Very low | 87 Ų | 87 | 127 Ų | 127 | 72% | 0.719 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.7 | -13.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | S113 | S113-A115 VanDerWaalsContact C-N 3.32Å; S113-A115 PolarHBondContact O-N 3.32Å |
| 116 | G | 34 | Very low | 34.3 | Very low | 65 Ų | 65 | 123.6 Ų | 123.6 | 67% | 0.67 | 72% | 0.72 | S | S | * | * | | | trans | -95 | 13.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | A118 | G116-A118 VanDerWaalsContact C-N 3.29Å; G116-A118 PolarHBondContact O-N 2.87Å; G116-A118 VanDerWaalsContact O-N 3.15Å |
| 117 | Q | 35.5 | Very low | 34.6 | Very low | 184 Ų | 184 | 126.3 Ų | 126.3 | 86% | 0.86 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | 17.2 | -158.8 | -143.6 | 171.5 | -24.5 | 0 | 0 | 115.5 | | |
| 118 | A | 32.7 | Very low | 34.6 | Very low | 72 Ų | 72 | 127.2 Ų | 127.2 | 60% | 0.595 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.6 | -8.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | G116 | G116-A118 VanDerWaalsContact C-N 3.29Å; G116-A118 PolarHBondContact O-N 2.87Å; G116-A118 VanDerWaalsContact O-N 3.15Å |
| 119 | H | 34.3 | Very low | 34.9 | Very low | 151 Ų | 151 | 129.5 Ų | 129.5 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -114.5 | 17.6 | -161.9 | -63.1 | -64.8 | 0 | 0 | 0 | 117.3 | | |
| 120 | T | 34.4 | Very low | 35 | Very low | 133 Ų | 133 | 126.8 Ų | 126.8 | 82% | 0.816 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -120.9 | 4.4 | 178.4 | 47.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 121 | A | 34 | Very low | 35 | Very low | 84 Ų | 84 | 127.4 Ų | 127.4 | 69% | 0.694 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -90.8 | -7.1 | 175 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 122 | E | 35.4 | Very low | 35.2 | Very low | 146 Ų | 146 | 130.8 Ų | 130.8 | 68% | 0.682 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -103 | -11.9 | -169.7 | -147.6 | -175.5 | 151.1 | 0 | 0 | 114.8 | V124 | E122-V124 VanDerWaalsContact C-N 3.31Å; E122-V124 PolarHBondContact O-N 2.77Å |
| 123 | V | 36.7 | Very low | 35.3 | Very low | 105 Ų | 105 | 127.1 Ų | 127.1 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -16 | -176.9 | -179.4 | 0 | 0 | 0 | 0 | 113 | | |
| 124 | V | 36.4 | Very low | 35.5 | Very low | 143 Ų | 143 | 127 Ų | 127 | 87% | 0.867 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -8.7 | -179.6 | 178.1 | 0 | 0 | 0 | 0 | 112.9 | E122 | E122-V124 VanDerWaalsContact C-N 3.31Å; E122-V124 PolarHBondContact O-N 2.77Å |
| 125 | R | 35.2 | Very low | 35.8 | Very low | 205 Ų | 205 | 119.8 Ų | 119.8 | 77% | 0.774 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.1 | -13.5 | 178.6 | -162.1 | 171 | -81.6 | 122.9 | -8.1 | 114 | | |
| 126 | A | 37.3 | Very low | 36.1 | Very low | 54 Ų | 54 | 123.5 Ų | 123.5 | 45% | 0.446 | 74% | 0.741 | S | S | . | * | G | 310 helix | trans | -87.3 | -9.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 127 | Q | 39.4 | Very low | 36.1 | Very low | 186 Ų | 186 | 128.7 Ų | 128.7 | 87% | 0.869 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -90.5 | 3.7 | 179.6 | -70 | -166.8 | -15.9 | 0 | 0 | 114.7 | | |
| 128 | A | 36 | Very low | 36.1 | Very low | 96 Ų | 96 | 124.1 Ų | 124.1 | 79% | 0.793 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -105.4 | 4.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 129 | S | 36.9 | Very low | 36.6 | Very low | 92 Ų | 92 | 126.9 Ų | 126.9 | 64% | 0.643 | 75% | 0.753 | S | S | * | * | | | trans | -157.9 | 77.3 | -169.4 | 56.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 130 | L | 35.3 | Very low | 36.6 | Very low | 164 Ų | 164 | 129.6 Ų | 129.6 | 86% | 0.859 | 76% | 0.758 | S | S | * | * | | | trans | -143.8 | 125.4 | 166.4 | -100.7 | 157.7 | 0 | 0 | 0 | 109.1 | | |
| 131 | P | 35.3 | Very low | 36.8 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | | | trans | -93.2 | 163 | -168.7 | 36.3 | -36.2 | 0 | 0 | 0 | 114.9 | | |
| 132 | T | 33.3 | Very low | 37.1 | Very low | 145 Ų | 145 | 137.7 Ų | 137.7 | 89% | 0.89 | 77% | 0.768 | S | S | * | * | | | trans | -66.4 | 137.6 | 177.8 | -47.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 133 | A | 35.9 | Very low | 37.3 | Very low | 92 Ų | 92 | 137.6 Ų | 137.6 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | | | trans | -161.5 | 134.8 | 153.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 134 | A | 38.1 | Very low | 37.6 | Very low | 99 Ų | 99 | 136.7 Ų | 136.7 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | trans | 57.8 | 139.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 135 | S | 39.5 | Very low | 37.9 | Very low | 89 Ų | 89 | 136.7 Ų | 136.7 | 62% | 0.622 | 78% | 0.775 | S | S | * | * | | | cis | -168.8 | 174.3 | -2.8 | -99.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 136 | E | 41.6 | Very low | 38.4 | Very low | 166 Ų | 166 | 134 Ų | 134 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | cis | -142.3 | -175.6 | 10.7 | -149.4 | 63.5 | 91.3 | 0 | 0 | 112.5 | | |
| 137 | E | 35.9 | Very low | 38.7 | Very low | 174 Ų | 174 | 141.8 Ų | 141.8 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | | | trans | -54.9 | 134.7 | 177.1 | -175.9 | 179.3 | -174.7 | 0 | 0 | 120.1 | | |
| 138 | A | 35.4 | Very low | 39.1 | Very low | 88 Ų | 88 | 142.2 Ų | 142.2 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | -160.4 | 151.5 | 144 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 139 | P | 41.9 | Very low | 39.4 | Very low | 129 Ų | 129 | 146.6 Ų | 146.6 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | | | trans | -85.8 | 156.7 | -147 | -16.5 | 33.3 | 0 | 0 | 0 | 117.9 | | |
| 140 | R | 35.6 | Very low | 39.8 | Very low | 209 Ų | 209 | 154.4 Ų | 154.4 | 79% | 0.789 | 82% | 0.82 | S | S | * | * | | | trans | -82.5 | 134.9 | 178.2 | -64.3 | 171.7 | 168.3 | 170 | -2.5 | 112.3 | | |
| 141 | L | 37.8 | Very low | 40.3 | Very low | 178 Ų | 178 | 158.8 Ų | 158.8 | 93% | 0.932 | 83% | 0.825 | S | S | * | * | | | trans | -120.4 | 120.9 | 148.6 | -81.5 | 172 | 0 | 0 | 0 | 108.9 | | |
| 142 | R | 39.2 | Very low | 40.7 | Very low | 209 Ų | 209 | 156.4 Ų | 156.4 | 79% | 0.789 | 82% | 0.824 | S | S | * | * | | | trans | -94.7 | 130.8 | 175.3 | -73.7 | -176.9 | 171.7 | 174.8 | -2.9 | 109.2 | | |
| 143 | V | 41.1 | Very low | 41.5 | Very low | 144 Ų | 144 | 154 Ų | 154 | 87% | 0.873 | 82% | 0.818 | S | S | * | * | | | trans | -123.5 | 105.4 | 156.7 | -177.9 | 0 | 0 | 0 | 0 | 107.2 | | |
| 144 | A | 41.8 | Very low | 42.2 | Very low | 85 Ų | 85 | 156.4 Ų | 156.4 | 70% | 0.702 | 82% | 0.818 | S | S | * | * | | | trans | -123.4 | 158.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 145 | D | 42.7 | Very low | 43 | Very low | 144 Ų | 144 | 160.7 Ų | 160.7 | 77% | 0.77 | 82% | 0.818 | S | S | * | * | | | trans | 56.4 | 100.4 | 178.8 | -82.7 | -45.3 | 0 | 0 | 0 | 118.3 | | |
| 146 | V | 45.8 | Very low | 43.2 | Very low | 147 Ų | 147 | 162.6 Ų | 162.6 | 89% | 0.891 | 83% | 0.829 | S | S | * | * | | | trans | -125.2 | 78.4 | 141.8 | -175.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 147 | R | 44.3 | Very low | 43.4 | Very low | 219 Ų | 219 | 166.7 Ų | 166.7 | 83% | 0.826 | 84% | 0.837 | S | S | * | * | | | trans | -130.9 | 134.1 | 161.9 | -83.9 | -172.5 | 171.9 | -179.6 | -1.2 | 109.7 | | |
| 148 | Q | 47.8 | Very low | 43.8 | Very low | 195 Ų | 195 | 162.3 Ų | 162.3 | 91% | 0.911 | 83% | 0.831 | S | S | * | * | | | trans | 77.5 | 161.4 | 176.5 | -46.4 | -163.2 | 27.5 | 0 | 0 | 117.2 | | |
| 149 | Q | 43 | Very low | 44.3 | Very low | 187 Ų | 187 | 169.9 Ų | 169.9 | 87% | 0.874 | 84% | 0.84 | S | S | * | * | | | trans | 78.2 | 61.3 | 171.7 | -154.7 | 166.8 | -17.7 | 0 | 0 | 119.1 | | |
| 150 | R | 45 | Very low | 44.5 | Very low | 256 Ų | 256 | 169.4 Ų | 169.4 | 97% | 0.966 | 84% | 0.84 | S | S | * | * | | | trans | -131.2 | 97.9 | 130.1 | -74.4 | -163 | 178.5 | -117.2 | -2.3 | 110.7 | | |
| 151 | R | 46.2 | Very low | 45 | Very low | 256 Ų | 256 | 170.8 Ų | 170.8 | 97% | 0.966 | 85% | 0.845 | S | S | * | * | | | trans | -93.6 | 146.9 | 161.3 | -68.2 | -176.4 | 179.5 | -168 | 1 | 108.4 | | |
| 152 | G | 42.5 | Very low | 45.5 | Very low | 74 Ų | 74 | 168 Ų | 168 | 76% | 0.763 | 84% | 0.838 | S | S | * | * | | | trans | 112.3 | 133.8 | 157.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 153 | A | 51.2 | Low | 45.7 | Very low | 94 Ų | 94 | 162.9 Ų | 162.9 | 78% | 0.777 | 84% | 0.84 | S | S | * | * | | | trans | 63.5 | 134.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 154 | D | 49.5 | Very low | 45.8 | Very low | 143 Ų | 143 | 159.4 Ų | 159.4 | 77% | 0.765 | 83% | 0.833 | S | S | * | * | | | cis | -153.8 | 156.6 | 1.4 | -125.8 | -39.6 | 0 | 0 | 0 | 113.6 | | |
| 155 | K | 55.1 | Low | 46.1 | Very low | 188 Ų | 188 | 163.4 Ų | 163.4 | 82% | 0.817 | 84% | 0.838 | S | S | * | * | | | trans | 11.4 | 136.2 | 167.6 | -73.9 | 168.6 | 178 | 165.9 | 0 | 123.5 | | |
| 156 | P | 44 | Very low | 46.3 | Very low | 129 Ų | 129 | 163.7 Ų | 163.7 | 84% | 0.838 | 84% | 0.839 | S | S | * | * | | | trans | -115.4 | 138.7 | 151.3 | 36.9 | -26.5 | 0 | 0 | 0 | 114.6 | | |
| 157 | R | 46.1 | Very low | 46.3 | Very low | 253 Ų | 253 | 161 Ų | 161 | 96% | 0.955 | 83% | 0.833 | S | S | * | * | | | trans | -171.9 | 147.8 | 161.6 | -111.3 | -174 | 172.3 | -167.6 | -1.4 | 107.2 | | |
| 158 | A | 43.2 | Very low | 46.6 | Very low | 82 Ų | 82 | 156.8 Ų | 156.8 | 68% | 0.678 | 83% | 0.831 | S | S | * | * | | | cis | 171.4 | 133.2 | -19 | 0 | 0 | 0 | 0 | 0 | 105.9 | | |
| 159 | R | 46.9 | Very low | 46.6 | Very low | 246 Ų | 246 | 153.5 Ų | 153.5 | 93% | 0.928 | 83% | 0.827 | S | S | * | * | | | trans | 62.2 | 147.2 | 175.2 | -55.8 | -178.3 | 172.1 | -159.7 | -3.5 | 114.2 | | |
| 160 | S | 45.7 | Very low | 46.7 | Very low | 119 Ų | 119 | 148 Ų | 148 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | | | cis | -155.7 | 162.4 | 37 | -57.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 161 | R | 46.5 | Very low | 46.9 | Very low | 239 Ų | 239 | 144.4 Ų | 144.4 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | | | trans | -102.3 | 146.2 | 164.1 | -122.8 | 176.6 | 166.7 | 172.6 | -5.7 | 108.5 | | |
| 162 | P | 48.3 | Very low | 46.9 | Very low | 118 Ų | 118 | 143.3 Ų | 143.3 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | | | | -133.1 | 161.8 | 101.6 | 9.8 | 13.6 | 0 | 0 | 0 | 111.2 | | |
| 163 | A | 43.5 | Very low | 46.8 | Very low | 102 Ų | 102 | 145 Ų | 145 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | | | cis | 88.8 | 132 | 41.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 164 | G | 43.5 | Very low | 46.5 | Very low | 71 Ų | 71 | 145.6 Ų | 145.6 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | | | trans | 112.9 | 135.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 165 | E | 46.8 | Very low | 46.7 | Very low | 170 Ų | 170 | 143.2 Ų | 143.2 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | | | cis | 171 | 166.4 | -26.1 | -110.7 | 177.3 | 155.4 | 0 | 0 | 106 | | |
| 166 | N | 46.7 | Very low | 46.2 | Very low | 150 Ų | 150 | 140.5 Ų | 140.5 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | | | trans | 78.2 | 105.9 | 170.6 | -48.8 | -45.8 | 0 | 0 | 0 | 116 | | |
| 167 | A | 47.6 | Very low | 46.2 | Very low | 91 Ų | 91 | 144.9 Ų | 144.9 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | | | | 88.8 | 133.8 | 77.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 168 | T | 50.2 | Low | 46.1 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | | | cis | -154.4 | 151.1 | 23.5 | -52.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 169 | P | 47.7 | Very low | 46 | Very low | 127 Ų | 127 | 143.2 Ų | 143.2 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | | | trans | -94.3 | 159.6 | -178.2 | 36.5 | -35.5 | 0 | 0 | 0 | 115.2 | | |
| 170 | G | 45.1 | Very low | 45.8 | Very low | 70 Ų | 70 | 135.4 Ų | 135.4 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | | | trans | -150.4 | 101.9 | -178 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 171 | K | 49.4 | Very low | 45.5 | Very low | 181 Ų | 181 | 136.3 Ų | 136.3 | 79% | 0.787 | 79% | 0.785 | S | S | * | * | | | trans | 65.3 | 116.6 | 150.4 | -61.8 | 178.4 | -178.9 | 174.6 | 0 | 121.3 | | |
| 172 | R | 44.6 | Very low | 45.6 | Very low | 234 Ų | 234 | 129.1 Ų | 129.1 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | | | | 59.3 | 137.9 | 122.6 | -58.6 | 174.5 | -176.4 | -176.3 | -1.3 | 118.4 | | |
| 173 | S | 42 | Very low | 45.4 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | | | cis | -151.8 | 156 | 12.6 | -172 | 0 | 0 | 0 | 0 | 112 | | |
| 174 | S | 44.9 | Very low | 45.2 | Very low | 106 Ų | 106 | 132.3 Ų | 132.3 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | | | trans | -58.9 | 160.7 | 156 | 48.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 175 | S | 52 | Low | 45.1 | Very low | 92 Ų | 92 | 134.6 Ų | 134.6 | 64% | 0.643 | 78% | 0.78 | S | S | * | * | | | cis | -160 | 179.3 | 43.8 | 57.8 | 0 | 0 | 0 | 0 | 116 | | |
| 176 | D | 46.3 | Very low | 44.6 | Very low | 131 Ų | 131 | 135 Ų | 135 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | | | trans | 64.5 | 98.9 | 157.5 | -48.5 | -45.4 | 0 | 0 | 0 | 119.1 | | |
| 177 | R | 44.1 | Very low | 44.1 | Very low | 222 Ų | 222 | 138.6 Ų | 138.6 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | | | | 69.5 | 101.6 | 81.6 | -77.9 | -172 | 171.2 | 164.3 | -1.8 | 116 | | |
| 178 | Q | 42.2 | Very low | 43.5 | Very low | 179 Ų | 179 | 139.6 Ų | 139.6 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | | | trans | 63.1 | 107.8 | 139.5 | -60.5 | 173.2 | -51.5 | 0 | 0 | 119.6 | | |
| 179 | S | 41 | Very low | 43.3 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | | | | 152.3 | 148.8 | 106.8 | -161.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 180 | A | 43.4 | Very low | 42.7 | Very low | 83 Ų | 83 | 139.7 Ų | 139.7 | 69% | 0.686 | 79% | 0.785 | S | S | * | * | | | trans | 57.8 | 95.6 | 157.7 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 181 | T | 40.6 | Very low | 42.7 | Very low | 137 Ų | 137 | 142.8 Ų | 142.8 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | | | | 53.9 | 107.5 | 116.9 | -47.2 | 0 | 0 | 0 | 0 | 122.1 | | |
| 182 | A | 47.1 | Very low | 42.1 | Very low | 88 Ų | 88 | 140.7 Ų | 140.7 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | trans | 68.5 | 125.4 | 142.1 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 183 | P | 44.6 | Very low | 41.7 | Very low | 121 Ų | 121 | 133.2 Ų | 133.2 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | | | trans | -89.3 | 142.6 | 175.8 | 35.3 | -33.3 | 0 | 0 | 0 | 113.5 | | |
| 184 | N | 38.9 | Very low | 41.2 | Very low | 166 Ų | 166 | 134 Ų | 134 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | | | trans | -75.6 | 135.3 | 165.7 | -73.4 | -51.4 | 0 | 0 | 0 | 110.9 | | |
| 185 | T | 41 | Very low | 40.7 | Very low | 120 Ų | 120 | 133 Ų | 133 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | | | trans | -138 | 94.1 | 162.4 | -46.4 | 0 | 0 | 0 | 0 | 110.6 | R187 | T185-R187 PolarHBondContact O-N 3.22Š|
| 186 | L | 36.7 | Very low | 40.1 | Very low | 177 Ų | 177 | 137.8 Ų | 137.8 | 93% | 0.927 | 81% | 0.811 | S | S | * | * | | | trans | -63.3 | 115.7 | 165.8 | -82.3 | 160.1 | 0 | 0 | 0 | 109.5 | | |
| 187 | R | 37.4 | Very low | 39.8 | Very low | 227 Ų | 227 | 141.7 Ų | 141.7 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | | | trans | -134.9 | 139 | 159 | -91.7 | -172.9 | 164.9 | 165.1 | -4.1 | 110.6 | T185 | T185-R187 PolarHBondContact O-N 3.22Š|
| 188 | S | 33.5 | Very low | 39.8 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | | | trans | -57.6 | 135.8 | -170 | 51.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 189 | I | 47.3 | Very low | 39.9 | Very low | 165 Ų | 165 | 133 Ų | 133 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | | | trans | -126.6 | 106.2 | 161.3 | -57 | -179.5 | 0 | 0 | 0 | 107.7 | | |
| 190 | S | 35.4 | Very low | 40.1 | Very low | 93 Ų | 93 | 132.2 Ų | 132.2 | 65% | 0.65 | 80% | 0.796 | S | S | * | * | | | trans | -69.1 | 144.2 | 179.7 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | T192 | S190-T192 VanDerWaalsContact C-N 3.26Å; S190-T192 PolarHBondContact O-N 2.82Å |
| 191 | P | 44.2 | Very low | 40 | Very low | 135 Ų | 135 | 133.1 Ų | 133.1 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -83.2 | 60 | -173.8 | 35.5 | -37.4 | 0 | 0 | 0 | 113.1 | | |
| 192 | T | 36.2 | Very low | 40.4 | Very low | 137 Ų | 137 | 131.4 Ų | 131.4 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | | | trans | -139 | 81.1 | 174.4 | -42.1 | 0 | 0 | 0 | 0 | 110.2 | S190 | S190-T192 VanDerWaalsContact C-N 3.26Å; S190-T192 PolarHBondContact O-N 2.82Å |
| 193 | G | 36.9 | Very low | 40.3 | Very low | 76 Ų | 76 | 137.2 Ų | 137.2 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | | | trans | -169.2 | 112.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 194 | S | 32.4 | Very low | 40.4 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | | | trans | -66.1 | 126.7 | 177.9 | 45.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 195 | A | 34 | Very low | 40.9 | Very low | 85 Ų | 85 | 132.9 Ų | 132.9 | 70% | 0.702 | 79% | 0.793 | S | S | * | * | | | trans | -152.8 | 92.2 | 162.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R197 | A195-R197 PolarHBondContact O-N 2.89Š|
| 196 | L | 38.3 | Very low | 41.3 | Very low | 191 Ų | 191 | 131.1 Ų | 131.1 | 100% | 1 | 78% | 0.779 | S | S | * | * | | | trans | -70.4 | 76 | 157.7 | -74.5 | 171.7 | 0 | 0 | 0 | 108.8 | | |
| 197 | R | 40.7 | Very low | 42.1 | Very low | 214 Ų | 214 | 127.5 Ų | 127.5 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | | | trans | -93.5 | 102.2 | 176.6 | -155.7 | 172.6 | -167.3 | -105.3 | 1.7 | 109.4 | A195 | A195-R197 PolarHBondContact O-N 2.89Š|
| 198 | A | 44.2 | Very low | 42.5 | Very low | 88 Ų | 88 | 123.1 Ų | 123.1 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | | | trans | -55.4 | 141.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | P200 | A198-P200 VanDerWaalsContact O-CD 3.29Å; A198-P200 WeakPolarHBondContact O-CD 3.33Å |
| 199 | N | 44.1 | Very low | 42.9 | Very low | 131 Ų | 131 | 122.9 Ų | 122.9 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | | | trans | -71 | 115.2 | 179.6 | 177.2 | 24.8 | 0 | 0 | 0 | 110.5 | C201 | N199-C201 PolarHBondContact ND2-SG 3.14Å; N199-C201 PolarHBondContact O-N 3.01Å; N199-C201 VanDerWaalsContact O-N 3.08Å |
| 200 | P | 45.6 | Very low | 42.6 | Very low | 102 Ų | 102 | 126 Ų | 126 | 66% | 0.662 | 75% | 0.752 | S | S | * | * | | | trans | -84.3 | 79.8 | 176.6 | 35 | -30.9 | 0 | 0 | 0 | 109.8 | A198 S202 | A198-P200 VanDerWaalsContact O-CD 3.29Å; A198-P200 WeakPolarHBondContact O-CD 3.33Å; P200-S202 PolarHBondContact O-N 2.97Å |
| 201 | C | 40 | Very low | 43.2 | Very low | 102 Ų | 102 | 126.2 Ų | 126.2 | 69% | 0.689 | 75% | 0.746 | S | S | * | * | | | trans | -70.3 | 107 | 164.3 | -77.5 | 0 | 0 | 0 | 0 | 108.8 | N199 | N199-C201 PolarHBondContact ND2-SG 3.14Å; N199-C201 PolarHBondContact O-N 3.01Å; N199-C201 VanDerWaalsContact O-N 3.08Å |
| 202 | S | 49.9 | Very low | 43.1 | Very low | 101 Ų | 101 | 123.9 Ų | 123.9 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | | | trans | -66.4 | 134.6 | 176.8 | 45.6 | 0 | 0 | 0 | 0 | 111.7 | P200 G204 | P200-S202 PolarHBondContact O-N 2.97Å; S202-G204 VanDerWaalsContact C-N 3.26Å; S202-G204 PolarHBondContact O-N 3.29Å |
| 203 | E | 45.3 | Very low | 43.6 | Very low | 211 Ų | 211 | 123.7 Ų | 123.7 | 99% | 0.986 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | 57.9 | -166.7 | -165.5 | 174.8 | 177.5 | 0 | 0 | 113.4 | | |
| 204 | G | 46.9 | Very low | 43.8 | Very low | 69 Ų | 69 | 123.9 Ų | 123.9 | 71% | 0.711 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.2 | -23 | -169.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | S202 | S202-G204 VanDerWaalsContact C-N 3.26Å; S202-G204 PolarHBondContact O-N 3.29Å |
| 205 | T | 49.4 | Very low | 44.3 | Very low | 126 Ų | 126 | 120.8 Ų | 120.8 | 77% | 0.773 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -137.9 | 4.3 | -162.8 | 27.7 | 0 | 0 | 0 | 0 | 117.2 | P207 | T205-P207 WeakPolarHBondContact O-CD 3.21Š|
| 206 | D | 48.4 | Very low | 44.9 | Very low | 83 Ų | 83 | 122.8 Ų | 122.8 | 44% | 0.444 | 69% | 0.693 | S | S | . | * | | | trans | -92.8 | 115.6 | 176.3 | -172.6 | 0.2 | 0 | 0 | 0 | 112 | F208 C209 | D206-F208 PolarHBondContact O-N 3.02Å; D206-F208 WeakPolarHBondContact OD1-CB 3.4Å; D206-F208 VanDerWaalsContact OD1-CD2 3.3Å; D206-F208 WeakPolarHBondContact OD1-CD2 3.36Å; D206-F208 PolarHBondContact OD1-N 3.38Å; D206-C209 HydrophobicContact CB-CB 4.42Å; D206-C209 PolarHBondContact O-N 3.04Å; D206-C209 VanDerWaalsContact O-N 3.1Å |
| 207 | P | 53.7 | Low | 45 | Very low | 101 Ų | 101 | 121.1 Ų | 121.1 | 66% | 0.656 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -57.9 | -27 | 173.5 | -23.3 | 34.7 | 0 | 0 | 0 | 113.6 | T205 C209 R210 | T205-P207 WeakPolarHBondContact O-CD 3.21Å; P207-C209 PolarHBondContact O-N 3.23Å; P207-R210 PolarHBondContact O-N 3.24Å |
| 208 | F | 45.4 | Very low | 44.7 | Very low | 135 Ų | 135 | 117.2 Ų | 117.2 | 59% | 0.592 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -72.6 | -15.7 | 179.1 | -66.3 | -75.4 | 0 | 0 | 0 | 113.4 | D206 R210 L211 | D206-F208 PolarHBondContact O-N 3.02Å; D206-F208 WeakPolarHBondContact OD1-CB 3.4Å; D206-F208 VanDerWaalsContact OD1-CD2 3.3Å; D206-F208 WeakPolarHBondContact OD1-CD2 3.36Å; D206-F208 PolarHBondContact OD1-N 3.38Å; F208-R210 VanDerWaalsContact C-N 3.33Å; F208-L211 HydrophobicContact CD1-CD1 4.35Å |
| 209 | C | 43.5 | Very low | 44.4 | Very low | 107 Ų | 107 | 122.6 Ų | 122.6 | 72% | 0.723 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -83.8 | -2.4 | 175.3 | -67.3 | 0 | 0 | 0 | 0 | 114.1 | D206 P207 | D206-C209 HydrophobicContact CB-CB 4.42Å; D206-C209 PolarHBondContact O-N 3.04Å; D206-C209 VanDerWaalsContact O-N 3.1Å; P207-C209 PolarHBondContact O-N 3.23Å |
| 210 | R | 40.8 | Very low | 44.1 | Very low | 231 Ų | 231 | 120.9 Ų | 120.9 | 87% | 0.872 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -110.5 | 0.8 | 176.4 | -73.1 | -166 | 174.3 | -164.2 | -0.5 | 115.1 | P207 F208 P212 | P207-R210 PolarHBondContact O-N 3.24Å; F208-R210 VanDerWaalsContact C-N 3.33Å; R210-P212 VanDerWaalsContact O-CD 3.27Å; R210-P212 WeakPolarHBondContact O-CD 3.29Å |
| 211 | L | 46.4 | Very low | 44 | Very low | 97 Ų | 97 | 122.3 Ų | 122.3 | 51% | 0.508 | 67% | 0.669 | S | S | . | * | S | Bend | trans | -78.4 | 113.7 | 171.3 | -88 | 155.5 | 0 | 0 | 0 | 109.5 | F208 L213 | F208-L211 HydrophobicContact CD1-CD1 4.35Å; L211-L213 PolarHBondContact O-N 3.16Å; L211-L213 VanDerWaalsContact O-N 3.1Å |
| 212 | P | 41.9 | Very low | 44.2 | Very low | 87 Ų | 87 | 121.3 Ų | 121.3 | 57% | 0.565 | 67% | 0.668 | S | S | * | * | | | trans | -61.7 | 119 | 173 | 25.5 | -32.7 | 0 | 0 | 0 | 108.6 | R210 S214 A215 | R210-P212 VanDerWaalsContact O-CD 3.27Å; R210-P212 WeakPolarHBondContact O-CD 3.29Å; P212-S214 PolarHBondContact O-N 2.87Å; P212-A215 WeakPolarHBondContact O-CB 3.33Å; P212-A215 PolarHBondContact O-N 2.9Å |
| 213 | L | 47.3 | Very low | 43.8 | Very low | 133 Ų | 133 | 121.6 Ų | 121.6 | 70% | 0.696 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -54 | -23.2 | -176.3 | -76.8 | 161.4 | 0 | 0 | 0 | 113.2 | L211 A215 L216 | L211-L213 PolarHBondContact O-N 3.16Å; L211-L213 VanDerWaalsContact O-N 3.1Å; L213-A215 PolarHBondContact O-N 3.28Å; L213-L216 PolarHBondContact O-N 3.43Å |
| 214 | S | 42.4 | Very low | 43.9 | Very low | 80 Ų | 80 | 117.3 Ų | 117.3 | 56% | 0.559 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -54.4 | -28.5 | 170.8 | -43.2 | 0 | 0 | 0 | 0 | 114.5 | P212 N218 | P212-S214 PolarHBondContact O-N 2.87Å; S214-N218 PolarHBondContact O-N 2.84Å; S214-N218 PolarHBondContact O-ND2 3.24Å |
| 215 | A | 43.1 | Very low | 43.9 | Very low | 62 Ų | 62 | 118.8 Ų | 118.8 | 51% | 0.512 | 64% | 0.636 | S | S | . | * | G | 310 helix | trans | -73 | -27.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | P212 L213 | P212-A215 WeakPolarHBondContact O-CB 3.33Å; P212-A215 PolarHBondContact O-N 2.9Å; L213-A215 PolarHBondContact O-N 3.28Å |
| 216 | L | 44.7 | Very low | 44.2 | Very low | 128 Ų | 128 | 114.8 Ų | 114.8 | 67% | 0.67 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -88.8 | -4.6 | -179 | -66.1 | 175.3 | 0 | 0 | 0 | 113.8 | L213 | L213-L216 PolarHBondContact O-N 3.43Š|
| 217 | F | 41.9 | Very low | 44.2 | Very low | 156 Ų | 156 | 114.4 Ų | 114.4 | 68% | 0.684 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.3 | -0.7 | 178.6 | -77 | -78.6 | 0 | 0 | 0 | 114.2 | | |
| 218 | N | 34.6 | Very low | 43.8 | Very low | 131 Ų | 131 | 115 Ų | 115 | 70% | 0.701 | 62% | 0.615 | S | S | * | * | | | trans | -103.9 | 15.8 | 174.6 | -78.5 | -62.2 | 0 | 0 | 0 | 113.4 | S214 P220 | S214-N218 PolarHBondContact O-N 2.84Å; S214-N218 PolarHBondContact O-ND2 3.24Å; N218-P220 WeakPolarHBondContact O-CD 3.47Å |
| 219 | W | 37.9 | Very low | 44.1 | Very low | 201 Ų | 201 | 112.9 Ų | 112.9 | 76% | 0.761 | 61% | 0.609 | S | S | * | * | | | trans | -73.1 | 119.1 | 169.8 | -167 | -97.6 | 0 | 0 | 0 | 110 | E221 | W219-E221 PolarHBondContact O-N 2.88Š|
| 220 | P | 36.7 | Very low | 44.5 | Very low | 96 Ų | 96 | 116 Ų | 116 | 62% | 0.623 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | 66.7 | -157.7 | 36.3 | -38.4 | 0 | 0 | 0 | 113.2 | N218 | N218-P220 WeakPolarHBondContact O-CD 3.47Š|
| 221 | E | 43.2 | Very low | 44.7 | Very low | 132 Ų | 132 | 110.4 Ų | 110.4 | 62% | 0.617 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.6 | -18.4 | 176.8 | -148.2 | 164.5 | -177.5 | 0 | 0 | 113.1 | W219 | W219-E221 PolarHBondContact O-N 2.88Š|
| 222 | A | 44.4 | Very low | 44.5 | Very low | 80 Ų | 80 | 112.2 Ų | 112.2 | 66% | 0.661 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -79 | -17.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 223 | V | 42.5 | Very low | 44.4 | Very low | 108 Ų | 108 | 112.3 Ų | 112.3 | 66% | 0.655 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.5 | -44.8 | 178.2 | -179.1 | 0 | 0 | 0 | 0 | 110.3 | L225 G226 | V223-L225 VanDerWaalsContact C-N 3.35Å; V223-L225 PolarHBondContact O-N 3Å; V223-G226 PolarHBondContact O-N 2.84Å |
| 224 | H | 47.3 | Very low | 44.4 | Very low | 120 Ų | 120 | 115 Ų | 115 | 56% | 0.556 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -75.3 | -20.5 | 178.8 | -58.3 | -57.9 | 0 | 0 | 0 | 113.6 | G226 D227 L228 | H224-G226 VanDerWaalsContact C-N 3.26Å; H224-G226 PolarHBondContact O-N 3.48Å; H224-D227 PolarHBondContact O-N 3.39Å; H224-D227 VanDerWaalsContact O-N 3.17Å; H224-L228 HydrophobicContact CB-CD1 4.46Å; H224-L228 VanDerWaalsContact O-CD1 3.3Å; H224-L228 WeakPolarHBondContact O-CD1 3.44Å; H224-L228 PolarHBondContact O-N 2.95Å |
| 225 | L | 45.5 | Very low | 44.5 | Very low | 100 Ų | 100 | 113.3 Ų | 113.3 | 52% | 0.524 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -60.6 | -36.5 | 172.4 | -117.2 | 76.7 | 0 | 0 | 0 | 112.2 | V223 D227 L229 | V223-L225 VanDerWaalsContact C-N 3.35Å; V223-L225 PolarHBondContact O-N 3Å; L225-D227 VanDerWaalsContact C-N 3.34Å; L225-L229 WeakPolarHBondContact O-CB 3.4Å; L225-L229 VanDerWaalsContact O-CG 3.28Å; L225-L229 WeakPolarHBondContact O-CG 3.42Å; L225-L229 PolarHBondContact O-N 3.27Å |
| 226 | G | 57.8 | Low | 44.4 | Very low | 43 Ų | 43 | 111.8 Ų | 111.8 | 44% | 0.443 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62 | -42.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | V223 H224 R230 | V223-G226 PolarHBondContact O-N 2.84Å; H224-G226 VanDerWaalsContact C-N 3.26Å; H224-G226 PolarHBondContact O-N 3.48Å; G226-R230 WeakPolarHBondContact O-CB 3.49Å; G226-R230 PolarHBondContact O-N 2.83Å |
| 227 | D | 47.6 | Very low | 44.3 | Very low | 74 Ų | 74 | 109.1 Ų | 109.1 | 40% | 0.396 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -74.6 | -40.9 | 178.9 | -70.5 | -38.4 | 0 | 0 | 0 | 112.7 | H224 L225 L229 R230 I231 | H224-D227 PolarHBondContact O-N 3.39Å; H224-D227 VanDerWaalsContact O-N 3.17Å; L225-D227 VanDerWaalsContact C-N 3.34Å; D227-L229 VanDerWaalsContact C-N 3.35Å; D227-L229 PolarHBondContact O-N 2.99Å; D227-R230 CarbonylContact O-C 3.57Å; D227-R230 PolarHBondContact O-N 3.17Å; D227-R230 VanDerWaalsContact O-N 3.15Å; D227-I231 WeakPolarHBondContact O-CB 3.16Å; D227-I231 WeakPolarHBondContact O-CD1 3.26Å; D227-I231 WeakPolarHBondContact O-CG1 3.3Å; D227-I231 PolarHBondContact O-N 2.99Å |
| 228 | L | 44.7 | Very low | 44.3 | Very low | 115 Ų | 115 | 108.7 Ų | 108.7 | 60% | 0.602 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -59.1 | -45 | 172.5 | -96.1 | 82.5 | 0 | 0 | 0 | 111.5 | H224 R230 I231 W232 | H224-L228 HydrophobicContact CB-CD1 4.46Å; H224-L228 VanDerWaalsContact O-CD1 3.3Å; H224-L228 WeakPolarHBondContact O-CD1 3.44Å; H224-L228 PolarHBondContact O-N 2.95Å; L228-R230 VanDerWaalsContact C-N 3.32Å; L228-R230 PolarHBondContact O-N 2.98Å; L228-I231 PolarHBondContact O-N 2.86Å; L228-W232 WeakPolarHBondContact O-CB 3.43Å; L228-W232 PolarHBondContact O-N 3.47Å |
| 229 | L | 51.4 | Low | 44.5 | Very low | 90 Ų | 90 | 108.7 Ų | 108.7 | 47% | 0.471 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.3 | -36.2 | 176 | -73.3 | 169 | 0 | 0 | 0 | 111.7 | L225 D227 V233 | L225-L229 WeakPolarHBondContact O-CB 3.4Å; L225-L229 VanDerWaalsContact O-CG 3.28Å; L225-L229 WeakPolarHBondContact O-CG 3.42Å; L225-L229 PolarHBondContact O-N 3.27Å; D227-L229 VanDerWaalsContact C-N 3.35Å; D227-L229 PolarHBondContact O-N 2.99Å; L229-V233 VanDerWaalsContact O-CB 3.28Å; L229-V233 WeakPolarHBondContact O-CB 2.96Å; L229-V233 WeakPolarHBondContact O-CG2 3.23Å; L229-V233 PolarHBondContact O-N 3.44Å |
| 230 | R | 52 | Low | 44.5 | Very low | 171 Ų | 171 | 109.2 Ų | 109.2 | 65% | 0.645 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -70.3 | -36.2 | 176.9 | -169.7 | 178.9 | -171.3 | -172.2 | 3.9 | 112.9 | G226 D227 L228 R234 | G226-R230 WeakPolarHBondContact O-CB 3.49Å; G226-R230 PolarHBondContact O-N 2.83Å; D227-R230 CarbonylContact O-C 3.57Å; D227-R230 PolarHBondContact O-N 3.17Å; D227-R230 VanDerWaalsContact O-N 3.15Å; L228-R230 VanDerWaalsContact C-N 3.32Å; L228-R230 PolarHBondContact O-N 2.98Å; R230-R234 PolarHBondContact O-N 3.37Å |
| 231 | I | 44.7 | Very low | 44.4 | Very low | 115 Ų | 115 | 107.9 Ų | 107.9 | 59% | 0.59 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -68.4 | -46.9 | 173 | -69.3 | 161.8 | 0 | 0 | 0 | 109.6 | D227 L228 R234 A235 | D227-I231 WeakPolarHBondContact O-CB 3.16Å; D227-I231 WeakPolarHBondContact O-CD1 3.26Å; D227-I231 WeakPolarHBondContact O-CG1 3.3Å; D227-I231 PolarHBondContact O-N 2.99Å; L228-I231 PolarHBondContact O-N 2.86Å; I231-R234 WeakPolarHBondContact O-CB 3.22Å; I231-R234 PolarHBondContact O-N 3.4Å; I231-R234 VanDerWaalsContact O-N 3.16Å; I231-A235 PolarHBondContact O-N 2.79Å |
| 232 | W | 42.3 | Very low | 44.1 | Very low | 135 Ų | 135 | 108.9 Ų | 108.9 | 51% | 0.511 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -72.9 | -34.3 | -177 | -160 | 29.6 | 0 | 0 | 0 | 112.8 | L228 R234 A235 S236 | L228-W232 WeakPolarHBondContact O-CB 3.43Å; L228-W232 PolarHBondContact O-N 3.47Å; W232-R234 VanDerWaalsContact C-N 3.29Å; W232-R234 PolarHBondContact O-N 2.84Å; W232-A235 PolarHBondContact O-N 2.96Å; W232-S236 WeakPolarHBondContact O-CB 3.46Å; W232-S236 PolarHBondContact O-N 3.14Å; W232-S236 PolarHBondContact O-OG 3.15Å |
| 233 | V | 40.9 | Very low | 43.5 | Very low | 89 Ų | 89 | 108.1 Ų | 108.1 | 54% | 0.539 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62 | -36.4 | 168.6 | 166.7 | 0 | 0 | 0 | 0 | 111.5 | L229 T237 | L229-V233 VanDerWaalsContact O-CB 3.28Å; L229-V233 WeakPolarHBondContact O-CB 2.96Å; L229-V233 WeakPolarHBondContact O-CG2 3.23Å; L229-V233 PolarHBondContact O-N 3.44Å; V233-T237 WeakPolarHBondContact O-CG2 3.34Å; V233-T237 PolarHBondContact O-N 3.02Å; V233-T237 PolarHBondContact O-OG1 2.85Å |
| 234 | R | 46.6 | Very low | 42.9 | Very low | 189 Ų | 189 | 112.8 Ų | 112.8 | 71% | 0.713 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -66 | -46.6 | 172.4 | -104.4 | 177.6 | 155.8 | 165.6 | -8.5 | 112.2 | R230 I231 W232 T237 | R230-R234 PolarHBondContact O-N 3.37Å; I231-R234 WeakPolarHBondContact O-CB 3.22Å; I231-R234 PolarHBondContact O-N 3.4Å; I231-R234 VanDerWaalsContact O-N 3.16Å; W232-R234 VanDerWaalsContact C-N 3.29Å; W232-R234 PolarHBondContact O-N 2.84Å; R234-T237 PolarHBondContact O-N 3.34Å; R234-T237 PolarHBondContact O-OG1 2.88Å |
| 235 | A | 44.5 | Very low | 42.4 | Very low | 45 Ų | 45 | 113 Ų | 113 | 37% | 0.372 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -64.4 | -47.7 | -180 | 0 | 0 | 0 | 0 | 0 | 112.2 | I231 W232 T237 N238 | I231-A235 PolarHBondContact O-N 2.79Å; W232-A235 PolarHBondContact O-N 2.96Å; A235-T237 VanDerWaalsContact C-N 3.27Å; A235-T237 PolarHBondContact O-N 2.69Å; A235-N238 PolarHBondContact O-N 3.26Å; A235-N238 VanDerWaalsContact O-N 3.08Å |
| 236 | S | 41.3 | Very low | 42.4 | Very low | 30 Ų | 30 | 120 Ų | 120 | 21% | 0.21 | 62% | 0.623 | C | S | . | * | H | α-helix | trans | -61.9 | -31.2 | 178.8 | -66.7 | 0 | 0 | 0 | 0 | 112.9 | W232 N238 L239 Y240 | W232-S236 WeakPolarHBondContact O-CB 3.46Å; W232-S236 PolarHBondContact O-N 3.14Å; W232-S236 PolarHBondContact O-OG 3.15Å; S236-N238 PolarHBondContact O-N 3.48Å; S236-L239 PolarHBondContact O-N 3.41Å; S236-Y240 WeakPolarHBondContact O-CD2 3.15Å; S236-Y240 VanDerWaalsContact O-CE2 3.23Å; S236-Y240 WeakPolarHBondContact O-CE2 3.27Å |
| 237 | T | 42.7 | Very low | 41.2 | Very low | 71 Ų | 71 | 124.4 Ų | 124.4 | 44% | 0.436 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.9 | -10 | 176 | 50.1 | 0 | 0 | 0 | 0 | 115.3 | V233 R234 A235 | V233-T237 WeakPolarHBondContact O-CG2 3.34Å; V233-T237 PolarHBondContact O-N 3.02Å; V233-T237 PolarHBondContact O-OG1 2.85Å; R234-T237 PolarHBondContact O-N 3.34Å; R234-T237 PolarHBondContact O-OG1 2.88Å; A235-T237 VanDerWaalsContact C-N 3.27Å; A235-T237 PolarHBondContact O-N 2.69Å |
| 238 | N | 41.5 | Very low | 40.8 | Very low | 147 Ų | 147 | 127.5 Ų | 127.5 | 79% | 0.786 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | 3.7 | 175.7 | -78.3 | -10.7 | 0 | 0 | 0 | 113.6 | A235 S236 | A235-N238 PolarHBondContact O-N 3.26Å; A235-N238 VanDerWaalsContact O-N 3.08Å; S236-N238 PolarHBondContact O-N 3.48Å |
| 239 | L | 39.2 | Very low | 40.3 | Very low | 132 Ų | 132 | 131.1 Ų | 131.1 | 69% | 0.691 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -103.7 | -0.8 | 178.8 | -77.1 | 161.7 | 0 | 0 | 0 | 113.8 | S236 G241 | S236-L239 PolarHBondContact O-N 3.41Å; L239-G241 VanDerWaalsContact C-N 3.34Å; L239-G241 PolarHBondContact O-N 3.43Å |
| 240 | Y | 37.9 | Very low | 39.7 | Very low | 211 Ų | 211 | 132 Ų | 132 | 83% | 0.827 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | 65.1 | 169.9 | -61.8 | -74.8 | 0 | 0 | 0 | 110.7 | S236 | S236-Y240 WeakPolarHBondContact O-CD2 3.15Å; S236-Y240 VanDerWaalsContact O-CE2 3.23Å; S236-Y240 WeakPolarHBondContact O-CE2 3.27Å |
| 241 | G | 34 | Very low | 39.3 | Very low | 68 Ų | 68 | 130.4 Ų | 130.4 | 70% | 0.701 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138 | -6.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | L239 | L239-G241 VanDerWaalsContact C-N 3.34Å; L239-G241 PolarHBondContact O-N 3.43Å |
| 242 | L | 37.4 | Very low | 39 | Very low | 154 Ų | 154 | 130.5 Ų | 130.5 | 81% | 0.806 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -121.5 | 125.7 | 176.1 | -81.1 | 84.7 | 0 | 0 | 0 | 110.4 | | |
| 243 | G | 31.1 | Very low | 38.8 | Very low | 63 Ų | 63 | 132.2 Ų | 132.2 | 65% | 0.649 | 73% | 0.727 | S | S | * | * | S | Bend | trans | 114.2 | 138.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 244 | F | 30.7 | Very low | 38.7 | Very low | 207 Ų | 207 | 132.1 Ų | 132.1 | 91% | 0.908 | 74% | 0.736 | S | S | * | * | | | trans | 82.6 | 37.7 | 172 | -41.9 | -60.8 | 0 | 0 | 0 | 119.4 | | |
| 245 | S | 37.2 | Very low | 38.3 | Very low | 124 Ų | 124 | 130 Ų | 130 | 87% | 0.867 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 126.6 | 148.2 | -80 | 0 | 0 | 0 | 0 | 109.7 | | |
| 246 | R | 44.2 | Very low | 38.2 | Very low | 246 Ų | 246 | 131.3 Ų | 131.3 | 93% | 0.928 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 126.9 | 174.9 | -63.1 | -176.3 | -176.7 | -160.2 | 0.8 | 109.7 | | |
| 247 | T | 33 | Very low | 37.6 | Very low | 136 Ų | 136 | 138 Ų | 138 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 128.4 | -178.9 | -36.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 248 | V | 40 | Very low | 37.5 | Very low | 140 Ų | 140 | 139 Ų | 139 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | | | trans | -132.4 | 142.4 | 153.7 | 161.7 | 0 | 0 | 0 | 0 | 106.7 | | |
| 249 | E | 33 | Very low | 37.4 | Very low | 190 Ų | 190 | 136.6 Ų | 136.6 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | | | trans | -68.6 | 131.3 | -165.2 | -63.2 | 164.5 | 102.9 | 0 | 0 | 114.4 | | |
| 250 | S | 40.2 | Very low | 36.8 | Very low | 108 Ų | 108 | 139.8 Ų | 139.8 | 76% | 0.755 | 82% | 0.82 | S | S | * | * | | | trans | -155.9 | 102 | 140.1 | 66.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 251 | V | 42.5 | Very low | 36.5 | Very low | 138 Ų | 138 | 135.8 Ų | 135.8 | 84% | 0.836 | 82% | 0.822 | S | S | * | * | | | trans | 45.7 | 118 | 153.3 | -168 | 0 | 0 | 0 | 0 | 118.8 | | |
| 252 | P | 38.8 | Very low | 36.5 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 77% | 0.766 | 82% | 0.821 | S | S | * | * | | | trans | -82.9 | 154.6 | 177.3 | 35.7 | -34.9 | 0 | 0 | 0 | 112.4 | | |
| 253 | N | 38.1 | Very low | 36.3 | Very low | 170 Ų | 170 | 134.9 Ų | 134.9 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | | | trans | -142.7 | 143.3 | 150.2 | -119.6 | -25.6 | 0 | 0 | 0 | 110.8 | | |
| 254 | A | 38.1 | Very low | 36.5 | Very low | 88 Ų | 88 | 140 Ų | 140 | 73% | 0.727 | 83% | 0.828 | S | S | * | * | | | trans | -72.2 | 149.2 | -161.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 255 | T | 39.9 | Very low | 37 | Very low | 144 Ų | 144 | 135.6 Ų | 135.6 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | | | | 172.9 | 130.9 | 116.4 | -71.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 256 | G | 41.7 | Very low | 36.8 | Very low | 73 Ų | 73 | 134 Ų | 134 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | | | trans | 86.3 | 74.5 | 152.7 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 257 | D | 29.2 | Very low | 36.3 | Very low | 170 Ų | 170 | 130.6 Ų | 130.6 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | | | trans | -83.6 | 126.1 | 161.2 | -172.1 | 10.5 | 0 | 0 | 0 | 109.8 | | |
| 258 | A | 40.3 | Very low | 36.5 | Very low | 91 Ų | 91 | 129.7 Ų | 129.7 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | | | trans | -157.3 | 107.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 259 | A | 38 | Very low | 36.3 | Very low | 98 Ų | 98 | 125.9 Ų | 125.9 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | | | trans | 63 | 101.9 | 148 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 260 | F | 28.5 | Very low | 36.4 | Very low | 198 Ų | 198 | 125.6 Ų | 125.6 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | | | trans | -70.6 | 133.5 | 144.5 | -84.2 | -104.9 | 0 | 0 | 0 | 110.7 | | |
| 261 | C | 30.4 | Very low | 35.9 | Very low | 127 Ų | 127 | 126.3 Ų | 126.3 | 86% | 0.858 | 80% | 0.8 | S | S | * | * | | | | 165.1 | 144.7 | 128.6 | -159.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 262 | G | 35.2 | Very low | 35.7 | Very low | 66 Ų | 66 | 123.4 Ų | 123.4 | 68% | 0.68 | 80% | 0.798 | S | S | * | * | | | trans | 175.5 | 61.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 263 | D | 31.6 | Very low | 35.6 | Very low | 137 Ų | 137 | 123.2 Ų | 123.2 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | | | trans | 23.9 | 106.6 | 149.5 | -54.1 | -25.4 | 0 | 0 | 0 | 120.1 | V265 | D263-V265 HydrophobicContact CB-CG2 4.1Å; D263-V265 PolarHBondContact O-N 3.26Å |
| 264 | I | 35.9 | Very low | 35.8 | Very low | 171 Ų | 171 | 119.3 Ų | 119.3 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | | | trans | -86.7 | 85.3 | 158.8 | -57.2 | 180 | 0 | 0 | 0 | 108.5 | | |
| 265 | V | 40.6 | Very low | 35.7 | Very low | 114 Ų | 114 | 122.2 Ų | 122.2 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | | | trans | -70.2 | 144.6 | 173.8 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | D263 I267 | D263-V265 HydrophobicContact CB-CG2 4.1Å; D263-V265 PolarHBondContact O-N 3.26Å; V265-I267 PolarHBondContact O-N 3.41Å |
| 266 | A | 33.9 | Very low | 35.3 | Very low | 91 Ų | 91 | 121 Ų | 121 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | | | trans | -65.2 | 126.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S268 | A266-S268 VanDerWaalsContact C-N 3.29Å; A266-S268 PolarHBondContact O-N 3.15Å |
| 267 | I | 32.9 | Very low | 35.4 | Very low | 175 Ų | 175 | 123.7 Ų | 123.7 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | | | trans | -83.2 | 73.8 | 176.6 | -44.7 | 177.4 | 0 | 0 | 0 | 109.8 | V265 | V265-I267 PolarHBondContact O-N 3.41Š|
| 268 | S | 38.6 | Very low | 36 | Very low | 116 Ų | 116 | 121.3 Ų | 121.3 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | | | trans | -81.8 | 129.6 | 159.7 | -171.1 | 0 | 0 | 0 | 0 | 108.3 | A266 | A266-S268 VanDerWaalsContact C-N 3.29Å; A266-S268 PolarHBondContact O-N 3.15Å |
| 269 | G | 35.7 | Very low | 35.9 | Very low | 61 Ų | 61 | 125.9 Ų | 125.9 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | | | trans | -86.3 | 150.2 | -163 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 270 | Q | 34.1 | Very low | 36.1 | Very low | 183 Ų | 183 | 129.8 Ų | 129.8 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | | | trans | -175.5 | 131.4 | 136.8 | -95.7 | -72.6 | -82.3 | 0 | 0 | 107.6 | | |
| 271 | P | 30.7 | Very low | 36.6 | Very low | 124 Ų | 124 | 126.2 Ų | 126.2 | 81% | 0.805 | 77% | 0.767 | S | S | * | * | | | trans | -89.9 | 124.8 | 175.8 | 33.1 | -29.4 | 0 | 0 | 0 | 110.9 | | |
| 272 | G | 37.1 | Very low | 37.3 | Very low | 76 Ų | 76 | 129.7 Ų | 129.7 | 78% | 0.784 | 77% | 0.767 | S | S | * | * | | | trans | -155.9 | 108.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 273 | S | 37.8 | Very low | 38 | Very low | 114 Ų | 114 | 134.4 Ų | 134.4 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | | | trans | 54.1 | 110.6 | 156.3 | -149.6 | 0 | 0 | 0 | 0 | 121.8 | | |
| 274 | S | 42.5 | Very low | 38.2 | Very low | 89 Ų | 89 | 133 Ų | 133 | 62% | 0.622 | 77% | 0.766 | S | S | * | * | | | trans | 65.1 | 139.3 | 130.3 | 84.3 | 0 | 0 | 0 | 0 | 123.3 | | |
| 275 | D | 36 | Very low | 38.5 | Very low | 148 Ų | 148 | 132.5 Ų | 132.5 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | trans | 90.2 | 118.5 | 151.1 | -48.4 | -44 | 0 | 0 | 0 | 120.3 | | |
| 276 | C | 31.2 | Very low | 38.6 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | | | trans | -68.6 | 166.1 | 174.1 | -54.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 277 | V | 43.8 | Very low | 38.8 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 78% | 0.782 | 77% | 0.774 | S | S | * | * | | | | -165.3 | 139.7 | 64.4 | 166.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 278 | P | 40.3 | Very low | 39 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 136.4 | 166.8 | 33.1 | -31.8 | 0 | 0 | 0 | 111 | | |
| 279 | Y | 38.4 | Very low | 39.2 | Very low | 186 Ų | 186 | 128.9 Ų | 128.9 | 73% | 0.729 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 145.2 | 177.1 | 92.9 | -76.1 | 0 | 0 | 0 | 111.8 | E281 | Y279-E281 HydrophobicContact CE2-CB 3.92Š|
| 280 | E | 42.6 | Very low | 39.6 | Very low | 180 Ų | 180 | 134 Ų | 134 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 131.9 | 172.7 | -77.2 | -83.3 | 144.2 | 0 | 0 | 110.1 | | |
| 281 | E | 38.8 | Very low | 39.9 | Very low | 124 Ų | 124 | 128.7 Ų | 128.7 | 58% | 0.579 | 77% | 0.771 | S | S | * | * | | | trans | -111.6 | 109.7 | 164.7 | -168.6 | 178.8 | 169 | 0 | 0 | 110.2 | Y279 K283 | Y279-E281 HydrophobicContact CE2-CB 3.92Å; E281-K283 IonicContact OE1-NZ 3.85Å; E281-K283 PolarHBondContact OE1-NZ 2.64Å |
| 282 | K | 45.2 | Very low | 40.3 | Very low | 200 Ų | 200 | 129.2 Ų | 129.2 | 87% | 0.87 | 78% | 0.776 | S | S | * | * | | | trans | -134.7 | 117.7 | 165.5 | -170.9 | 173.4 | -178.8 | 177.8 | 0 | 110.8 | | |
| 283 | K | 49.3 | Very low | 40.4 | Very low | 164 Ų | 164 | 130.7 Ų | 130.7 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | | | trans | -87.4 | 130.6 | -176.2 | -101.5 | 177.8 | -179.8 | 118.8 | 0 | 113.7 | E281 | E281-K283 IonicContact OE1-NZ 3.85Å; E281-K283 PolarHBondContact OE1-NZ 2.64Å |
| 284 | T | 37.4 | Very low | 40.9 | Very low | 109 Ų | 109 | 131 Ų | 131 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | | | trans | 79.3 | 95.4 | 130.9 | -49.1 | 0 | 0 | 0 | 0 | 120.9 | | |
| 285 | L | 41.2 | Very low | 40.5 | Very low | 159 Ų | 159 | 131.8 Ų | 131.8 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | | | | 59.9 | 110.4 | 128.4 | -56.6 | 177.1 | 0 | 0 | 0 | 122.4 | | |
| 286 | S | 42.5 | Very low | 41 | Very low | 129 Ų | 129 | 130.6 Ų | 130.6 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | | | | 174.2 | 147.9 | 113.9 | 41.4 | 0 | 0 | 0 | 0 | 108.1 | | |
| 287 | G | 39.4 | Very low | 41.7 | Very low | 74 Ų | 74 | 134.1 Ų | 134.1 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | | | cis | -161.6 | 161.4 | -9.9 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 288 | T | 37 | Very low | 41.6 | Very low | 149 Ų | 149 | 132.8 Ų | 132.8 | 91% | 0.914 | 79% | 0.79 | S | S | * | * | | | trans | -59.7 | 160.2 | 176.6 | 12.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 289 | A | 43.1 | Very low | 41.8 | Very low | 69 Ų | 69 | 135 Ų | 135 | 57% | 0.57 | 80% | 0.795 | S | S | * | * | | | cis | -158.7 | 174.5 | -2.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 290 | D | 42.8 | Very low | 42.4 | Very low | 167 Ų | 167 | 131.1 Ų | 131.1 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | | | trans | 64.1 | 130.5 | 149.2 | -55.8 | -28.2 | 0 | 0 | 0 | 122.3 | | |
| 291 | G | 41.9 | Very low | 42.4 | Very low | 73 Ų | 73 | 134.6 Ų | 134.6 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | | | trans | 135.2 | 74.9 | 131.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 292 | C | 38.3 | Very low | 42.7 | Very low | 134 Ų | 134 | 133.2 Ų | 133.2 | 91% | 0.905 | 81% | 0.807 | S | S | * | * | | | trans | 71.6 | 141.4 | 146.7 | -140.4 | 0 | 0 | 0 | 0 | 120.7 | | |
| 293 | S | 38.9 | Very low | 42.8 | Very low | 107 Ų | 107 | 129.4 Ų | 129.4 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | | | trans | -123.7 | -178.6 | 176.6 | -70.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 294 | P | 47.8 | Very low | 42.9 | Very low | 120 Ų | 120 | 128.2 Ų | 128.2 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | | | cis | -131 | -160.3 | -48.1 | 37.4 | -20.3 | 0 | 0 | 0 | 111.2 | | |
| 295 | S | 35.1 | Very low | 43.7 | Very low | 107 Ų | 107 | 128.6 Ų | 128.6 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | | | trans | 77.9 | 112.6 | 153.8 | -173.3 | 0 | 0 | 0 | 0 | 120 | | |
| 296 | S | 46.6 | Very low | 43.7 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | | | | -163.2 | 151.4 | 128.1 | -81.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 297 | E | 45.9 | Very low | 43.9 | Very low | 194 Ų | 194 | 131.6 Ų | 131.6 | 91% | 0.907 | 82% | 0.817 | S | S | * | * | | | trans | -82 | 153.8 | -172.2 | -57.4 | 164.3 | 85.5 | 0 | 0 | 114 | | |
| 298 | A | 41.6 | Very low | 44 | Very low | 102 Ų | 102 | 133.5 Ų | 133.5 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | | | trans | -168.9 | 116.9 | 142.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 299 | L | 43.7 | Very low | 44.4 | Very low | 167 Ų | 167 | 131.9 Ų | 131.9 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | | | trans | -96.8 | -173.3 | 165.2 | -83.2 | 172.7 | 0 | 0 | 0 | 109.6 | | |
| 300 | P | 51.8 | Low | 44.4 | Very low | 104 Ų | 104 | 140 Ų | 140 | 68% | 0.675 | 83% | 0.829 | S | S | * | * | | | cis | -132.7 | 179.2 | -30.1 | 28 | -7.7 | 0 | 0 | 0 | 113.3 | | |
| 301 | R | 41.5 | Very low | 44.6 | Very low | 253 Ų | 253 | 136 Ų | 136 | 96% | 0.955 | 82% | 0.818 | S | S | * | * | | | | -175 | 150.4 | 125.8 | -102.3 | 167.6 | -174.9 | -172.8 | 2.2 | 114.3 | | |
| 302 | A | 45.4 | Very low | 44.8 | Very low | 94 Ų | 94 | 140.6 Ų | 140.6 | 78% | 0.777 | 83% | 0.826 | S | S | * | * | | | trans | -98.1 | -167.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 303 | P | 48.5 | Very low | 44.9 | Very low | 121 Ų | 121 | 145.8 Ų | 145.8 | 79% | 0.786 | 83% | 0.827 | S | S | * | * | | | cis | -139.7 | -176.3 | 11.3 | 41.5 | -20.3 | 0 | 0 | 0 | 117.7 | | |
| 304 | V | 49.6 | Very low | 45.5 | Very low | 138 Ų | 138 | 145.3 Ų | 145.3 | 84% | 0.836 | 83% | 0.829 | S | S | * | * | | | trans | -105.4 | 144 | -177.4 | -167.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 305 | P | 54.1 | Low | 45.4 | Very low | 118 Ų | 118 | 147.2 Ų | 147.2 | 77% | 0.766 | 83% | 0.833 | S | S | * | * | | | trans | -98.8 | 135.1 | 163.4 | 33.8 | -27.2 | 0 | 0 | 0 | 113 | | |
| 306 | R | 42.2 | Very low | 46.3 | Very low | 245 Ų | 245 | 147.3 Ų | 147.3 | 93% | 0.925 | 83% | 0.833 | S | S | * | * | | | trans | -75 | 146.1 | 168.4 | -85.4 | 174.6 | 163.7 | 156.1 | -6.8 | 111.1 | | |
| 307 | A | 46.2 | Very low | 46.5 | Very low | 106 Ų | 106 | 144.8 Ų | 144.8 | 88% | 0.876 | 83% | 0.826 | S | S | * | * | | | trans | -124.4 | 121.3 | 154.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 308 | S | 42.4 | Very low | 46.4 | Very low | 113 Ų | 113 | 144 Ų | 144 | 79% | 0.79 | 83% | 0.829 | S | S | * | * | | | trans | -131.4 | 110 | 175.7 | 64.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 309 | S | 45.8 | Very low | 46.9 | Very low | 116 Ų | 116 | 145.7 Ų | 145.7 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | | | trans | -167.4 | 156.9 | 152.6 | 67.2 | 0 | 0 | 0 | 0 | 106.1 | | |
| 310 | R | 43.1 | Very low | 47.5 | Very low | 239 Ų | 239 | 141.5 Ų | 141.5 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | | | cis | -152 | 149.3 | 14 | -153.9 | 169.2 | -174.7 | 164.4 | -0.9 | 107.9 | | |
| 311 | A | 46.2 | Very low | 47.6 | Very low | 82 Ų | 82 | 142.6 Ų | 142.6 | 68% | 0.678 | 82% | 0.816 | S | S | * | * | | | trans | -70.8 | 145.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 312 | N | 45.1 | Very low | 48.1 | Very low | 170 Ų | 170 | 139.6 Ų | 139.6 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | | | trans | -139.3 | 97.8 | 154.1 | -88.2 | -30.4 | 0 | 0 | 0 | 107.7 | | |
| 313 | R | 42.3 | Very low | 48.2 | Very low | 244 Ų | 244 | 141.2 Ų | 141.2 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | | | trans | -82.7 | 119.9 | 159.3 | -80 | -175.9 | 171.1 | 96.3 | -2.8 | 106.6 | | |
| 314 | A | 49.9 | Very low | 48.2 | Very low | 97 Ų | 97 | 146.9 Ų | 146.9 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | | | trans | -112.8 | 104.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 315 | D | 46.1 | Very low | 47.9 | Very low | 160 Ų | 160 | 150.1 Ų | 150.1 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | | | trans | -87.6 | 121.9 | 168.8 | 176.9 | 19.7 | 0 | 0 | 0 | 107.6 | | |
| 316 | S | 54.3 | Low | 47.2 | Very low | 108 Ų | 108 | 154.9 Ų | 154.9 | 76% | 0.755 | 82% | 0.818 | S | S | * | * | | | trans | -161 | 94.3 | 173.1 | 65.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 317 | G | 50.7 | Low | 47.1 | Very low | 69 Ų | 69 | 148.4 Ų | 148.4 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | | | trans | 73.1 | 112.4 | 139 | 0 | 0 | 0 | 0 | 0 | 118.7 | E319 | G317-E319 PolarHBondContact O-N 3.07Š|
| 318 | D | 44.6 | Very low | 46.7 | Very low | 179 Ų | 179 | 149.2 Ų | 149.2 | 96% | 0.957 | 80% | 0.804 | S | S | * | * | | | trans | -55.2 | 115.8 | 152.7 | -84.1 | -55.8 | 0 | 0 | 0 | 110.9 | | |
| 319 | E | 51.1 | Low | 46.4 | Very low | 136 Ų | 136 | 149.4 Ų | 149.4 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | | | trans | -120 | 111.7 | 153.9 | -171.4 | 161.9 | 159.6 | 0 | 0 | 109.9 | G317 R322 | G317-E319 PolarHBondContact O-N 3.07Å; E319-R322 IonicContact OE1-CZ 3.58Å; E319-R322 VanDerWaalsContact OE1-CZ 3.29Å; E319-R322 IonicContact OE1-NE 3.54Å; E319-R322 PolarHBondContact OE1-NE 2.89Å; E319-R322 IonicContact OE1-NH2 2.73Å; E319-R322 PolarHBondContact OE1-NH2 3.45Å |
| 320 | A | 56.8 | Low | 45.7 | Very low | 79 Ų | 79 | 148.5 Ų | 148.5 | 65% | 0.653 | 78% | 0.782 | S | S | * | * | | | trans | -60.1 | 140.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R322 | A320-R322 PolarHBondContact O-N 2.93Š|
| 321 | P | 54 | Low | 45.1 | Very low | 128 Ų | 128 | 143.3 Ų | 143.3 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | | | trans | -65.2 | 108.8 | -175.1 | 25.6 | -34.2 | 0 | 0 | 0 | 111.3 | | |
| 322 | R | 52.9 | Low | 44.5 | Very low | 190 Ų | 190 | 140.8 Ų | 140.8 | 72% | 0.717 | 74% | 0.739 | S | S | * | * | | | trans | -55.1 | 137.6 | 178.1 | -59.6 | -173.7 | -171.8 | -148.9 | 3.1 | 110.9 | E319 A320 R324 | E319-R322 IonicContact OE1-CZ 3.58Å; E319-R322 VanDerWaalsContact OE1-CZ 3.29Å; E319-R322 IonicContact OE1-NE 3.54Å; E319-R322 PolarHBondContact OE1-NE 2.89Å; E319-R322 IonicContact OE1-NH2 2.73Å; E319-R322 PolarHBondContact OE1-NH2 3.45Å; A320-R322 PolarHBondContact O-N 2.93Å; R322-R324 PolarHBondContact O-N 2.82Å |
| 323 | P | 46.9 | Very low | 44.1 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 83% | 0.825 | 70% | 0.704 | S | S | * | * | | | trans | -65 | 109.6 | -177.2 | 25.6 | -33.9 | 0 | 0 | 0 | 110.8 | K325 | P323-K325 PolarHBondContact O-N 2.97Š|
| 324 | R | 47.4 | Very low | 44 | Very low | 241 Ų | 241 | 123.3 Ų | 123.3 | 91% | 0.909 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 117.3 | 172.9 | -66.6 | -174.8 | 178.9 | -165.9 | -0.3 | 109 | R322 R326 | R322-R324 PolarHBondContact O-N 2.82Å; R324-R326 PolarHBondContact O-N 3Å |
| 325 | K | 43.9 | Very low | 43.4 | Very low | 205 Ų | 205 | 120.9 Ų | 120.9 | 89% | 0.891 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 124.2 | 170 | -73.2 | -177.4 | 176.5 | 179.7 | 0 | 108.5 | P323 | P323-K325 PolarHBondContact O-N 2.97Š|
| 326 | R | 39.2 | Very low | 43 | Very low | 218 Ų | 218 | 115.5 Ų | 115.5 | 82% | 0.823 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 141.7 | 175.7 | -59.6 | -174.4 | -167.2 | -176.7 | 5.3 | 109.1 | R324 | R324-R326 PolarHBondContact O-N 3Š|
| 327 | P | 39.5 | Very low | 42.1 | Very low | 110 Ų | 110 | 111.5 Ų | 111.5 | 71% | 0.714 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 156.1 | 169.4 | 29 | -34.6 | 0 | 0 | 0 | 110.4 | E329 | P327-E329 PolarHBondContact O-N 3.23Š|
| 328 | P | 39.3 | Very low | 41.4 | Very low | 123 Ų | 123 | 114.9 Ų | 114.9 | 80% | 0.799 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -62 | 131 | 177.1 | 26 | -33.9 | 0 | 0 | 0 | 111.2 | T330 | P328-T330 PolarHBondContact O-N 2.86Š|
| 329 | E | 34.4 | Very low | 40.9 | Very low | 116 Ų | 116 | 111.7 Ų | 111.7 | 54% | 0.542 | 55% | 0.546 | S | S | . | . | | | trans | -74.9 | 104.3 | 172.9 | -69.5 | 176.4 | -179.5 | 0 | 0 | 109.8 | P327 R331 | P327-E329 PolarHBondContact O-N 3.23Å; E329-R331 PolarHBondContact O-N 3.46Å; E329-R331 IonicContact OE2-CZ 3.32Å; E329-R331 IonicContact OE2-NE 3.08Å; E329-R331 PolarHBondContact OE2-NE 3.22Å; E329-R331 IonicContact OE2-NH2 3.29Å; E329-R331 PolarHBondContact OE2-NH2 2.91Å |
| 330 | T | 32.4 | Very low | 40.3 | Very low | 98 Ų | 98 | 115 Ų | 115 | 60% | 0.601 | 55% | 0.552 | S | S | * | * | | | trans | -67.5 | 124.7 | 166.2 | -55 | 0 | 0 | 0 | 0 | 109.5 | P328 I377 | P328-T330 PolarHBondContact O-N 2.86Å; T330-I377 HydrophobicContact CG2-CG2 4.01Å |
| 331 | R | 31.1 | Very low | 39.2 | Very low | 129 Ų | 129 | 118 Ų | 118 | 49% | 0.487 | 56% | 0.558 | S | S | . | * | | | trans | -109.1 | 116 | -178.6 | -68.3 | -177.4 | 178.4 | -177.4 | -0.9 | 110.3 | E329 Y333 D378 | E329-R331 PolarHBondContact O-N 3.46Å; E329-R331 IonicContact OE2-CZ 3.32Å; E329-R331 IonicContact OE2-NE 3.08Å; E329-R331 PolarHBondContact OE2-NE 3.22Å; E329-R331 IonicContact OE2-NH2 3.29Å; E329-R331 PolarHBondContact OE2-NH2 2.91Å; R331-Y333 HydrophobicContact CB-CD2 4.29Å; R331-Y333 HydrophobicContact CB-CE2 3.57Å; R331-D378 PolarHBondContact O-N 3Å |
| 332 | V | 32 | Very low | 38.4 | Very low | 29 Ų | 29 | 117.8 Ų | 117.8 | 18% | 0.176 | 54% | 0.544 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 113.2 | 173.4 | -174.5 | 0 | 0 | 0 | 0 | 108.8 | L91 I334 L375 I377 | L91-V332 PolarHBondContact N-O 3.08Å; L91-V332 VanDerWaalsContact N-O 3.11Å; V332-I334 HydrophobicContact CG1-CG1 4.3Å; V332-L375 HydrophobicContact CG1-CD2 4.05Å; V332-L375 HydrophobicContact CG1-CG 4.18Å; V332-I377 HydrophobicContact CG2-CG1 4.44Å |
| 333 | Y | 36.5 | Very low | 37.5 | Very low | 43 Ų | 43 | 116.5 Ų | 116.5 | 17% | 0.169 | 55% | 0.551 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.9 | 127.9 | 174.6 | -59.8 | -101.2 | 0 | 0 | 0 | 108.8 | L91 I93 R331 L375 R376 D378 | L91-Y333 HydrophobicContact CB-CD1 4.2Å; L91-Y333 HydrophobicContact CD2-CD1 3.83Å; L91-Y333 HydrophobicContact CD2-CE1 3.62Å; L91-Y333 HydrophobicContact CG-CD1 4.34Å; L91-Y333 CarbonylContact O-C 3.59Å; L91-Y333 VanDerWaalsContact O-CA 3.32Å; L91-Y333 WeakPolarHBondContact O-CA 3.19Å; I93-Y333 HydrophobicContact CD1-CD1 3.72Å; I93-Y333 HydrophobicContact CD1-CE1 4.23Å; I93-Y333 HydrophobicContact CG1-CD1 4.49Å; R331-Y333 HydrophobicContact CB-CD2 4.29Å; R331-Y333 HydrophobicContact CB-CE2 3.57Å; Y333-L375 WeakPolarHBondContact O-CA 3.46Å; Y333-R376 HydrophobicContact CD2-CG 4.3Å; Y333-R376 PolarHBondContact N-O 3.32Å; Y333-R376 PolarHBondContact O-N 2.92Å; Y333-D378 HydrophobicContact CE2-CB 4.24Å; Y333-D378 VanDerWaalsContact CE2-OD2 3.23Å; Y333-D378 WeakPolarHBondContact CE2-OD2 3.22Å |
| 334 | I | 41.8 | Very low | 36.9 | Very low | 5 Ų | 5 | 122.1 Ų | 122.1 | 3% | 0.026 | 56% | 0.556 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.9 | 114.3 | 176.7 | -60.6 | -171.2 | 0 | 0 | 0 | 108.2 | L61 V90 L91 I92 I93 V332 V336 L373 L375 | L61-I334 HydrophobicContact CD2-CD1 4.08Å; V90-I334 HydrophobicContact CG1-CB 4.46Å; V90-I334 HydrophobicContact CG1-CD1 3.47Å; V90-I334 VanDerWaalsContact CG1-CD1 3.47Å; V90-I334 HydrophobicContact CG1-CG1 3.83Å; L91-I334 PolarHBondContact O-N 3.44Å; I92-I334 CarbonylContact C-O 3.57Å; I92-I334 VanDerWaalsContact CA-O 3.24Å; I92-I334 WeakPolarHBondContact CA-O 3.28Å; I92-I334 HydrophobicContact CG1-CB 4.37Å; I92-I334 WeakPolarHBondContact CG2-O 3.46Å; I93-I334 PolarHBondContact N-O 2.89Å; V332-I334 HydrophobicContact CG1-CG1 4.3Å; I334-V336 HydrophobicContact CG2-CG2 4.22Å; I334-L373 HydrophobicContact CG2-CD1 3.28Å; I334-L373 HydrophobicContact CG2-CG 4.03Å; I334-L375 HydrophobicContact CD1-CD1 4.2Å; I334-L375 HydrophobicContact CG1-CD1 3.99Å; I334-L375 HydrophobicContact CG1-CG 4.16Å; I334-L375 HydrophobicContact CG2-CD1 4.49Å |
| 335 | F | 37.1 | Very low | 36.2 | Very low | 46 Ų | 46 | 115.9 Ų | 115.9 | 20% | 0.202 | 54% | 0.54 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 131.1 | 171.3 | -58.1 | -97.1 | 0 | 0 | 0 | 110.2 | I93 S95 L373 V374 R376 | I93-F335 HydrophobicContact CB-CD1 3.66Å; I93-F335 HydrophobicContact CB-CE1 3.51Å; I93-F335 HydrophobicContact CB-CZ 4.25Å; I93-F335 HydrophobicContact CD1-CE1 4.02Å; I93-F335 HydrophobicContact CD1-CZ 4.03Å; I93-F335 HydrophobicContact CG1-CE1 4.3Å; I93-F335 HydrophobicContact CG2-CD1 3.88Å; I93-F335 HydrophobicContact CG2-CE1 3.56Å; I93-F335 VanDerWaalsContact O-CA 3.29Å; I93-F335 WeakPolarHBondContact O-CA 3.43Å; I93-F335 WeakPolarHBondContact O-CD1 3.24Å; S95-F335 WeakPolarHBondContact OG-CD1 3.42Å; F335-L373 CarbonylContact O-C 3.59Å; F335-L373 WeakPolarHBondContact O-CA 3.29Å; F335-V374 HydrophobicContact CB-CB 4.23Å; F335-V374 PolarHBondContact N-O 2.99Å; F335-V374 PolarHBondContact O-N 2.81Å; F335-R376 HydrophobicContact CE2-CB 4.29Å |
| 336 | V | 38.1 | Very low | 35.6 | Very low | 47 Ų | 47 | 111.6 Ų | 111.6 | 29% | 0.285 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 110.1 | 175.3 | -178 | 0 | 0 | 0 | 0 | 108.4 | I92 I334 F371 R372 L373 | I92-V336 HydrophobicContact CG2-CG2 4.32Å; I334-V336 HydrophobicContact CG2-CG2 4.22Å; V336-F371 HydrophobicContact CG1-CB 4.33Å; V336-F371 HydrophobicContact CG1-CD1 3.78Å; V336-F371 HydrophobicContact CG1-CG 4.4Å; V336-R372 WeakPolarHBondContact CA-O 3.41Å; V336-L373 HydrophobicContact CG2-CD1 3.83Å |
| 337 | S | 35.3 | Very low | 35.1 | Very low | 23 Ų | 23 | 109.6 Ų | 109.6 | 16% | 0.161 | 53% | 0.53 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 142.1 | 174 | -67.1 | 0 | 0 | 0 | 0 | 111.6 | D96 R372 | D96-S337 VanDerWaalsContact OD1-CB 3.26Å; D96-S337 WeakPolarHBondContact OD1-CB 3.32Å; D96-S337 PolarHBondContact OD1-OG 3.28Å; D96-S337 WeakPolarHBondContact OD2-CA 3.45Å; D96-S337 WeakPolarHBondContact OD2-CB 3.45Å; S337-R372 PolarHBondContact N-O 3.2Å; S337-R372 VanDerWaalsContact N-O 3.07Å; S337-R372 PolarHBondContact O-N 2.9Å |
| 338 | R | 35 | Very low | 34.7 | Very low | 141 Ų | 141 | 115.5 Ų | 115.5 | 53% | 0.532 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 106.8 | -172.5 | -172.4 | -178.3 | -175 | 172.3 | 4.4 | 110.7 | D96 R340 F371 | D96-R338 PolarHBondContact OD2-N 3.34Å; R338-R340 PolarHBondContact O-N 3.23Å; R338-F371 HydrophobicContact CB-CD1 4.28Å; R338-F371 HydrophobicContact CB-CE1 4.25Å; R338-F371 HydrophobicContact CG-CD1 4.34Å; R338-F371 HydrophobicContact CG-CE1 4Å |
| 339 | F | 35.1 | Very low | 34.1 | Very low | 111 Ų | 111 | 115.6 Ų | 115.6 | 49% | 0.487 | 54% | 0.537 | S | S | . | . | | | trans | -88.5 | 110.4 | -176.6 | -81.6 | -89.9 | 0 | 0 | 0 | 112.8 | N341 G370 R372 | F339-N341 VanDerWaalsContact C-N 3.34Å; F339-N341 PolarHBondContact O-N 3.1Å; F339-N341 VanDerWaalsContact O-N 3.16Å; F339-G370 PolarHBondContact N-O 3.18Å; F339-R372 HydrophobicContact CD2-CB 4.17Å; F339-R372 HydrophobicContact CE2-CB 4Å |
| 340 | R | 38 | Very low | 34 | Very low | 205 Ų | 205 | 117 Ų | 117 | 77% | 0.774 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -79.7 | 73.1 | 164.5 | -73.5 | -175.4 | 173.7 | -175.2 | -0.5 | 111 | R338 | R338-R340 PolarHBondContact O-N 3.23Š|
| 341 | N | 32.6 | Very low | 33.7 | Very low | 144 Ų | 144 | 123.9 Ų | 123.9 | 77% | 0.77 | 57% | 0.568 | S | S | * | * | | | trans | 172.3 | 108.2 | 153.1 | -100 | -48 | 0 | 0 | 0 | 111.8 | F339 | F339-N341 VanDerWaalsContact C-N 3.34Å; F339-N341 PolarHBondContact O-N 3.1Å; F339-N341 VanDerWaalsContact O-N 3.16Å |
| 342 | F | 37.5 | Very low | 33.4 | Very low | 122 Ų | 122 | 129.2 Ų | 129.2 | 54% | 0.535 | 59% | 0.588 | S | S | . | * | | | trans | -128.1 | 7.6 | 169.7 | -107.4 | -85.9 | 0 | 0 | 0 | 114.2 | R344 I345 | F342-R344 PolarHBondContact O-N 3.08Å; F342-I345 HydrophobicContact CD1-CD1 4.05Å; F342-I345 HydrophobicContact CE1-CD1 3.74Å |
| 343 | N | 33.9 | Very low | 33.2 | Very low | 163 Ų | 163 | 133 Ų | 133 | 87% | 0.872 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 28.2 | -176.5 | -71.2 | -8.4 | 0 | 0 | 0 | 114.7 | | |
| 344 | R | 35.1 | Very low | 32.9 | Very low | 246 Ų | 246 | 136 Ų | 136 | 93% | 0.928 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.4 | 14 | -177.2 | -90 | -166.3 | 175.9 | -169.4 | -0.2 | 116.1 | F342 | F342-R344 PolarHBondContact O-N 3.08Š|
| 345 | I | 32.5 | Very low | 32.3 | Very low | 109 Ų | 109 | 140.8 Ų | 140.8 | 56% | 0.559 | 69% | 0.69 | S | S | * | * | | | trans | -112.1 | 116.6 | 175.2 | -53.3 | -177.6 | 0 | 0 | 0 | 109.8 | F342 F347 | F342-I345 HydrophobicContact CD1-CD1 4.05Å; F342-I345 HydrophobicContact CE1-CD1 3.74Å; I345-F347 PolarHBondContact O-N 3.16Å |
| 346 | P | 30.6 | Very low | 31.9 | Very low | 115 Ų | 115 | 149.8 Ų | 149.8 | 75% | 0.747 | 72% | 0.724 | S | S | * | * | | | trans | -75.9 | 113.8 | 178.7 | 29.5 | -32.5 | 0 | 0 | 0 | 111 | R348 | P346-R348 PolarHBondContact O-N 3.42Š|
| 347 | F | 29.6 | Very low | 31.4 | Very low | 177 Ų | 177 | 151 Ų | 151 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | | | trans | -71.4 | 92.4 | 171.8 | -79.6 | -90.6 | 0 | 0 | 0 | 110.8 | I345 | I345-F347 PolarHBondContact O-N 3.16Š|
| 348 | R | 30.4 | Very low | 31.1 | Very low | 233 Ų | 233 | 159.3 Ų | 159.3 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | | | trans | -92.5 | 123.4 | 159.8 | -83.9 | -172.2 | 172.3 | -179.7 | -1.6 | 110.2 | P346 | P346-R348 PolarHBondContact O-N 3.42Š|
| 349 | T | 26.9 | Very low | 30.7 | Very low | 125 Ų | 125 | 161.1 Ų | 161.1 | 77% | 0.767 | 80% | 0.797 | S | S | * | * | | | trans | 72.8 | 78.8 | 155.6 | -38.8 | 0 | 0 | 0 | 0 | 118.2 | | |
| 350 | V | 32.5 | Very low | 30.5 | Very low | 147 Ų | 147 | 161.6 Ų | 161.6 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | | | trans | -131.4 | 82.3 | 141.8 | -172.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 351 | R | 26.8 | Very low | 30 | Very low | 241 Ų | 241 | 162.9 Ų | 162.9 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | | | trans | -114.8 | 91.5 | 169.7 | -87.8 | -170.2 | 177 | 179.1 | -0.6 | 109.3 | | |
| 352 | R | 25.3 | Very low | 30.1 | Very low | 242 Ų | 242 | 162.4 Ų | 162.4 | 91% | 0.913 | 81% | 0.811 | S | S | * | * | | | trans | -175.2 | 155.1 | 152.7 | -110.3 | 172.4 | 178.3 | 176.4 | -0.9 | 109.6 | | |
| 353 | A | 27.2 | Very low | 29.6 | Very low | 107 Ų | 107 | 164.9 Ų | 164.9 | 88% | 0.884 | 83% | 0.83 | S | S | * | * | | | trans | 70.5 | 66.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 354 | A | 30.4 | Very low | 29.6 | Very low | 108 Ų | 108 | 162.5 Ų | 162.5 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | | | trans | -155.1 | 92.2 | 143.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 355 | S | 27.9 | Very low | 29.5 | Very low | 104 Ų | 104 | 157.1 Ų | 157.1 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | | | trans | -113.1 | 150.1 | 171 | -174 | 0 | 0 | 0 | 0 | 107.8 | | |
| 356 | Y | 28.8 | Very low | 29.6 | Very low | 235 Ų | 235 | 156.8 Ų | 156.8 | 92% | 0.922 | 82% | 0.821 | S | S | * | * | S | Bend | trans | 69.1 | 137.8 | -167.9 | -69.3 | -93.4 | 0 | 0 | 0 | 115.7 | | |
| 357 | G | 27.5 | Very low | 29.7 | Very low | 72 Ų | 72 | 159.4 Ų | 159.4 | 74% | 0.742 | 83% | 0.827 | S | S | * | * | | | trans | 117.4 | 63.2 | 156.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 358 | E | 30 | Very low | 30 | Very low | 198 Ų | 198 | 160.4 Ų | 160.4 | 93% | 0.925 | 83% | 0.826 | S | S | * | * | | | trans | 72.5 | 158.7 | 141.6 | -145.2 | 160.7 | -152.7 | 0 | 0 | 120 | | |
| 359 | Q | 26.1 | Very low | 30.2 | Very low | 179 Ų | 179 | 153 Ų | 153 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | | | trans | -127 | 98.9 | -155.5 | 178.9 | -172.6 | 93.7 | 0 | 0 | 109.7 | | |
| 360 | V | 31.7 | Very low | 30.7 | Very low | 122 Ų | 122 | 148.3 Ų | 148.3 | 74% | 0.739 | 78% | 0.78 | S | S | * | * | | | trans | -122.8 | 110.8 | 171 | -176.1 | 0 | 0 | 0 | 0 | 109.6 | N362 | V360-N362 PolarHBondContact O-N 2.87Š|
| 361 | R | 27.1 | Very low | 30.8 | Very low | 232 Ų | 232 | 146 Ų | 146 | 88% | 0.875 | 76% | 0.758 | S | S | * | * | | | trans | -63.3 | 123.1 | 170.9 | -68.5 | 175.6 | 173.9 | 176.7 | -3.1 | 109.3 | | |
| 362 | N | 33.6 | Very low | 31.2 | Very low | 134 Ų | 134 | 138.6 Ų | 138.6 | 72% | 0.717 | 73% | 0.73 | S | S | * | * | | | trans | -149.8 | 100.8 | 161.6 | -86.8 | -51.6 | 0 | 0 | 0 | 109 | V360 V364 | V360-N362 PolarHBondContact O-N 2.87Å; N362-V364 PolarHBondContact O-N 2.85Å |
| 363 | D | 28 | Very low | 31.8 | Very low | 173 Ų | 173 | 130.3 Ų | 130.3 | 93% | 0.925 | 70% | 0.704 | S | S | * | * | | | trans | -72.6 | 79.4 | 171.6 | -77.3 | -51.6 | 0 | 0 | 0 | 110 | | |
| 364 | V | 34.2 | Very low | 32.4 | Very low | 114 Ų | 114 | 128.3 Ų | 128.3 | 69% | 0.691 | 68% | 0.68 | S | S | * | * | | | trans | -127.6 | 100.4 | 172.8 | -175.5 | 0 | 0 | 0 | 0 | 108.9 | N362 P366 | N362-V364 PolarHBondContact O-N 2.85Å; V364-P366 VanDerWaalsContact O-CD 3.22Å; V364-P366 WeakPolarHBondContact O-CD 3.3Å |
| 365 | T | 32.6 | Very low | 32.6 | Very low | 133 Ų | 133 | 126.8 Ų | 126.8 | 82% | 0.816 | 66% | 0.657 | S | S | * | * | | | trans | -60.5 | 113.3 | 177.2 | -50.4 | 0 | 0 | 0 | 0 | 110.4 | L367 | T365-L367 PolarHBondContact O-N 3.35Å; T365-L367 VanDerWaalsContact O-N 3.12Å |
| 366 | P | 34.1 | Very low | 33 | Very low | 101 Ų | 101 | 127.8 Ų | 127.8 | 66% | 0.656 | 65% | 0.645 | S | S | * | * | | | trans | -76.4 | 109.3 | -178 | 29.6 | -32.3 | 0 | 0 | 0 | 109.9 | V364 R368 | V364-P366 VanDerWaalsContact O-CD 3.22Å; V364-P366 WeakPolarHBondContact O-CD 3.3Å; P366-R368 VanDerWaalsContact C-N 3.27Å; P366-R368 PolarHBondContact O-N 3.37Å |
| 367 | L | 33 | Very low | 33.5 | Very low | 170 Ų | 170 | 121.9 Ų | 121.9 | 89% | 0.89 | 63% | 0.628 | S | S | * | * | | | trans | -62.6 | 88.3 | 166.3 | -81.4 | 167.6 | 0 | 0 | 0 | 109.4 | T365 L369 | T365-L367 PolarHBondContact O-N 3.35Å; T365-L367 VanDerWaalsContact O-N 3.12Å; L367-L369 PolarHBondContact O-N 3.1Å |
| 368 | R | 35.5 | Very low | 34.1 | Very low | 199 Ų | 199 | 124.1 Ų | 124.1 | 75% | 0.751 | 62% | 0.623 | S | S | * | * | | | trans | -65 | 94.3 | 179.4 | -79.6 | -170.6 | 171.7 | -174.7 | -2 | 111 | P366 G370 | P366-R368 VanDerWaalsContact C-N 3.27Å; P366-R368 PolarHBondContact O-N 3.37Å; R368-G370 PolarHBondContact O-N 3.19Å |
| 369 | L | 35.9 | Very low | 34.3 | Very low | 78 Ų | 78 | 120.5 Ų | 120.5 | 41% | 0.408 | 61% | 0.608 | S | S | . | * | | | trans | -88.5 | 98.7 | -179.4 | -164.9 | 81.6 | 0 | 0 | 0 | 110.2 | L367 F371 | L367-L369 PolarHBondContact O-N 3.1Å; L369-F371 HydrophobicContact CD2-CE1 4.37Å; L369-F371 HydrophobicContact CD2-CE2 3.74Å; L369-F371 HydrophobicContact CD2-CZ 3.5Å; L369-F371 VanDerWaalsContact CD2-CZ 3.5Å; L369-F371 HydrophobicContact CG-CE2 4.34Å; L369-F371 HydrophobicContact CG-CZ 4.34Å |
| 370 | G | 36.1 | Very low | 34.8 | Very low | 26 Ų | 26 | 117.4 Ų | 117.4 | 27% | 0.268 | 60% | 0.596 | S | S | . | * | | | trans | -76 | 125 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | F339 R368 | F339-G370 PolarHBondContact N-O 3.18Å; R368-G370 PolarHBondContact O-N 3.19Å |
| 371 | F | 34.5 | Very low | 34.9 | Very low | 99 Ų | 99 | 117.1 Ų | 117.1 | 43% | 0.434 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.1 | 145.8 | 167.7 | -64.2 | -82.8 | 0 | 0 | 0 | 110.4 | V336 R338 L369 | V336-F371 HydrophobicContact CG1-CB 4.33Å; V336-F371 HydrophobicContact CG1-CD1 3.78Å; V336-F371 HydrophobicContact CG1-CG 4.4Å; R338-F371 HydrophobicContact CB-CD1 4.28Å; R338-F371 HydrophobicContact CB-CE1 4.25Å; R338-F371 HydrophobicContact CG-CD1 4.34Å; R338-F371 HydrophobicContact CG-CE1 4Å; L369-F371 HydrophobicContact CD2-CE1 4.37Å; L369-F371 HydrophobicContact CD2-CE2 3.74Å; L369-F371 HydrophobicContact CD2-CZ 3.5Å; L369-F371 VanDerWaalsContact CD2-CZ 3.5Å; L369-F371 HydrophobicContact CG-CE2 4.34Å; L369-F371 HydrophobicContact CG-CZ 4.34Å |
| 372 | R | 36.2 | Very low | 35.4 | Very low | 84 Ų | 84 | 110.4 Ų | 110.4 | 32% | 0.317 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.2 | 118.3 | 170.8 | -172.1 | 179.3 | -173.8 | 173.9 | 3 | 109.5 | V336 S337 F339 V374 | V336-R372 WeakPolarHBondContact CA-O 3.41Å; S337-R372 PolarHBondContact N-O 3.2Å; S337-R372 VanDerWaalsContact N-O 3.07Å; S337-R372 PolarHBondContact O-N 2.9Å; F339-R372 HydrophobicContact CD2-CB 4.17Å; F339-R372 HydrophobicContact CE2-CB 4Å; R372-V374 HydrophobicContact CG-CG2 4.38Å |
| 373 | L | 36.8 | Very low | 35.5 | Very low | 68 Ų | 68 | 108.9 Ų | 108.9 | 36% | 0.356 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.9 | 130.9 | 171.7 | -158 | 71.9 | 0 | 0 | 0 | 109.5 | I334 F335 V336 L375 | I334-L373 HydrophobicContact CG2-CD1 3.28Å; I334-L373 HydrophobicContact CG2-CG 4.03Å; F335-L373 CarbonylContact O-C 3.59Å; F335-L373 WeakPolarHBondContact O-CA 3.29Å; V336-L373 HydrophobicContact CG2-CD1 3.83Å; L373-L375 HydrophobicContact CD2-CD1 3.81Å; L373-L375 HydrophobicContact CG-CD1 4.05Å |
| 374 | V | 40.7 | Very low | 36 | Very low | 66 Ų | 66 | 104.6 Ų | 104.6 | 40% | 0.4 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 112.2 | 168.8 | -176.8 | 0 | 0 | 0 | 0 | 108.1 | F335 R372 | F335-V374 HydrophobicContact CB-CB 4.23Å; F335-V374 PolarHBondContact N-O 2.99Å; F335-V374 PolarHBondContact O-N 2.81Å; R372-V374 HydrophobicContact CG-CG2 4.38Å |
| 375 | L | 33.3 | Very low | 36.1 | Very low | 76 Ų | 76 | 103.9 Ų | 103.9 | 40% | 0.398 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 135 | 168.3 | -97.5 | 73.2 | 0 | 0 | 0 | 110 | V332 Y333 I334 L373 | V332-L375 HydrophobicContact CG1-CD2 4.05Å; V332-L375 HydrophobicContact CG1-CG 4.18Å; Y333-L375 WeakPolarHBondContact O-CA 3.46Å; I334-L375 HydrophobicContact CD1-CD1 4.2Å; I334-L375 HydrophobicContact CG1-CD1 3.99Å; I334-L375 HydrophobicContact CG1-CG 4.16Å; I334-L375 HydrophobicContact CG2-CD1 4.49Å; L373-L375 HydrophobicContact CD2-CD1 3.81Å; L373-L375 HydrophobicContact CG-CD1 4.05Å |
| 376 | R | 37 | Very low | 36.4 | Very low | 124 Ų | 124 | 101.7 Ų | 101.7 | 47% | 0.468 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 131.9 | 163.3 | 163.9 | 179.8 | -179.5 | 166.4 | -1 | 107.6 | Y333 F335 D378 | Y333-R376 HydrophobicContact CD2-CG 4.3Å; Y333-R376 PolarHBondContact N-O 3.32Å; Y333-R376 PolarHBondContact O-N 2.92Å; F335-R376 HydrophobicContact CE2-CB 4.29Å; R376-D378 IonicContact CZ-OD1 3.04Å; R376-D378 VanDerWaalsContact CZ-OD1 3.26Å; R376-D378 IonicContact CZ-OD2 3.26Å; R376-D378 IonicContact NE-OD1 2.69Å; R376-D378 PolarHBondContact NE-OD1 3.12Å; R376-D378 IonicContact NE-OD2 2.77Å; R376-D378 PolarHBondContact NE-OD2 3.38Å; R376-D378 IonicContact NH2-OD1 3.61Å; R376-D378 PolarHBondContact NH2-OD1 2.91Å; R376-D378 IonicContact NH2-OD2 2.87Å; R376-D378 PolarHBondContact NH2-OD2 3.27Å; R376-D378 VanDerWaalsContact NH2-OD2 3.08Å |
| 377 | I | 39.9 | Very low | 36.6 | Very low | 112 Ų | 112 | 101.8 Ų | 101.8 | 57% | 0.574 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 118.3 | 176.8 | -54.1 | 174.7 | 0 | 0 | 0 | 105.2 | T330 V332 | T330-I377 HydrophobicContact CG2-CG2 4.01Å; V332-I377 HydrophobicContact CG2-CG1 4.44Å |
| 378 | D | 40.1 | Very low | 36.9 | Very low | 119 Ų | 119 | 95.5 Ų | 95.5 | 64% | 0.636 | 46% | 0.456 | S | S | * | . | | | trans | -99.6 | 0 | 173.3 | -73.7 | -20.3 | 0 | 0 | 0 | 110.5 | R331 Y333 R376 | R331-D378 PolarHBondContact O-N 3Å; Y333-D378 HydrophobicContact CE2-CB 4.24Å; Y333-D378 VanDerWaalsContact CE2-OD2 3.23Å; Y333-D378 WeakPolarHBondContact CE2-OD2 3.22Å; R376-D378 IonicContact CZ-OD1 3.04Å; R376-D378 VanDerWaalsContact CZ-OD1 3.26Å; R376-D378 IonicContact CZ-OD2 3.26Å; R376-D378 IonicContact NE-OD1 2.69Å; R376-D378 PolarHBondContact NE-OD1 3.12Å; R376-D378 IonicContact NE-OD2 2.77Å; R376-D378 PolarHBondContact NE-OD2 3.38Å; R376-D378 IonicContact NH2-OD1 3.61Å; R376-D378 PolarHBondContact NH2-OD1 2.91Å; R376-D378 IonicContact NH2-OD2 2.87Å; R376-D378 PolarHBondContact NH2-OD2 3.27Å; R376-D378 VanDerWaalsContact NH2-OD2 3.08Å |