| 1 | M | 45.8 | Very low | 46.2 | Very low | 239 Ų | 239 | 145.6 Ų | 145.6 | 100% | 1.177 | 83% | 0.834 | S | S | * | * | | | | 0 | 120.9 | 0 | -75 | 173.9 | 102.3 | 0 | 0 | 108.1 | | |
| 2 | S | 37.3 | Very low | 46.3 | Very low | 123 Ų | 123 | 147.4 Ų | 147.4 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | | | trans | 45 | 114.5 | 155.3 | -48.4 | 0 | 0 | 0 | 0 | 121.3 | | |
| 3 | T | 39.6 | Very low | 46 | Very low | 141 Ų | 141 | 147.2 Ų | 147.2 | 87% | 0.865 | 82% | 0.821 | S | S | * | * | | | trans | -53.6 | 149.3 | 162 | 50 | 0 | 0 | 0 | 0 | 115.1 | | |
| 4 | S | 44.8 | Very low | 45.7 | Very low | 117 Ų | 117 | 148.4 Ų | 148.4 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | | | trans | -153.2 | 108.2 | 141 | 59.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 5 | S | 42 | Very low | 45.5 | Very low | 104 Ų | 104 | 148.3 Ų | 148.3 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 130.4 | 169.4 | 54.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 6 | T | 52.1 | Low | 45.1 | Very low | 138 Ų | 138 | 145.7 Ų | 145.7 | 85% | 0.847 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 118.5 | 161.5 | 35.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 7 | N | 50.4 | Low | 44.6 | Very low | 140 Ų | 140 | 143.5 Ų | 143.5 | 75% | 0.749 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 130.8 | -176.3 | -61.9 | -35.7 | 0 | 0 | 0 | 111.9 | F9 | N7-F9 PolarHBondContact O-N 3.15Š|
| 8 | D | 46 | Very low | 44.1 | Very low | 164 Ų | 164 | 143.7 Ų | 143.7 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 124.7 | 165.7 | -73.6 | -49.6 | 0 | 0 | 0 | 109.9 | | |
| 9 | F | 50.5 | Low | 43.5 | Very low | 206 Ų | 206 | 144 Ų | 144 | 90% | 0.904 | 80% | 0.801 | S | S | * | * | | | trans | -83.5 | 105 | 169.3 | -109.5 | -94.2 | 0 | 0 | 0 | 107.9 | N7 | N7-F9 PolarHBondContact O-N 3.15Š|
| 10 | D | 50.6 | Low | 43.1 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 66% | 0.658 | 80% | 0.8 | S | S | * | * | | | trans | -89.1 | 117.9 | 172.1 | -131.1 | -24.1 | 0 | 0 | 0 | 109.3 | F12 | D10-F12 PolarHBondContact O-N 2.84Š|
| 11 | P | 49.3 | Very low | 42.7 | Very low | 107 Ų | 107 | 146 Ų | 146 | 70% | 0.695 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | 21.7 | -170.9 | 33.4 | -33.5 | 0 | 0 | 0 | 114.1 | | |
| 12 | F | 47.8 | Very low | 42.2 | Very low | 167 Ų | 167 | 140.2 Ų | 140.2 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.4 | 2.2 | -172.2 | -74.2 | -75.4 | 0 | 0 | 0 | 116.4 | D10 N14 | D10-F12 PolarHBondContact O-N 2.84Å; F12-N14 PolarHBondContact O-N 2.9Å |
| 13 | D | 41.4 | Very low | 42 | Very low | 144 Ų | 144 | 144.3 Ų | 144.3 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | | | trans | -101.7 | 44.7 | -174.4 | -77.2 | -24.6 | 0 | 0 | 0 | 115.3 | | |
| 14 | N | 41.8 | Very low | 41.8 | Very low | 164 Ų | 164 | 143.6 Ų | 143.6 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | | | trans | -132.6 | 74.1 | 168.5 | -89 | -41.2 | 0 | 0 | 0 | 111.3 | F12 | F12-N14 PolarHBondContact O-N 2.9Š|
| 15 | I | 43.4 | Very low | 41.4 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | | | trans | -107.3 | 117.6 | 166 | -58.2 | 177.3 | 0 | 0 | 0 | 108 | S17 | I15-S17 PolarHBondContact O-N 2.89Å; I15-S17 VanDerWaalsContact O-N 3.08Å |
| 16 | P | 39.7 | Very low | 41 | Very low | 107 Ų | 107 | 146.5 Ų | 146.5 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | | | trans | -68.9 | 107.2 | 173 | -12.7 | 27.1 | 0 | 0 | 0 | 110.1 | H18 | P16-H18 PolarHBondContact O-N 2.93Å; P16-H18 VanDerWaalsContact O-N 3.08Å |
| 17 | S | 35.7 | Very low | 40.3 | Very low | 108 Ų | 108 | 146.3 Ų | 146.3 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | | | trans | -78.3 | 75.1 | 175.3 | 55.9 | 0 | 0 | 0 | 0 | 111.2 | I15 | I15-S17 PolarHBondContact O-N 2.89Å; I15-S17 VanDerWaalsContact O-N 3.08Å |
| 18 | H | 35.7 | Very low | 39.7 | Very low | 147 Ų | 147 | 144.4 Ų | 144.4 | 68% | 0.681 | 78% | 0.776 | S | S | * | * | | | trans | -178.8 | 80.3 | 163 | 41.8 | -81.7 | 0 | 0 | 0 | 112.1 | P16 | P16-H18 PolarHBondContact O-N 2.93Å; P16-H18 VanDerWaalsContact O-N 3.08Å |
| 19 | L | 33.1 | Very low | 39.3 | Very low | 150 Ų | 150 | 142.5 Ų | 142.5 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | trans | -122 | 86.3 | 156.2 | -87.8 | 165.4 | 0 | 0 | 0 | 108.4 | F21 | L19-F21 HydrophobicContact CB-CD2 4.48Å; L19-F21 HydrophobicContact CB-CE2 4.11Å; L19-F21 PolarHBondContact O-N 2.77Å |
| 20 | I | 35.8 | Very low | 38.6 | Very low | 150 Ų | 150 | 136.7 Ų | 136.7 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | | | trans | -71.8 | 105 | 167.9 | -62.6 | 172.9 | 0 | 0 | 0 | 106.5 | T22 | I20-T22 HydrophobicContact CG2-CG2 4.27Å; I20-T22 PolarHBondContact O-N 3.22Å |
| 21 | F | 34.6 | Very low | 37.7 | Very low | 181 Ų | 181 | 138.8 Ų | 138.8 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | | | trans | -81.6 | 101.2 | 168.8 | -79.9 | -85.6 | 0 | 0 | 0 | 109.2 | L19 | L19-F21 HydrophobicContact CB-CD2 4.48Å; L19-F21 HydrophobicContact CB-CE2 4.11Å; L19-F21 PolarHBondContact O-N 2.77Å |
| 22 | T | 34.9 | Very low | 37 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 72% | 0.718 | 77% | 0.774 | S | S | * | * | | | trans | -75.8 | 124.9 | 166.7 | 39.1 | 0 | 0 | 0 | 0 | 109.7 | I20 T24 | I20-T22 HydrophobicContact CG2-CG2 4.27Å; I20-T22 PolarHBondContact O-N 3.22Å; T22-T24 PolarHBondContact O-N 2.97Å |
| 23 | K | 32.2 | Very low | 36.1 | Very low | 209 Ų | 209 | 137.1 Ų | 137.1 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | | | trans | -69.9 | 103 | 179.8 | -167.6 | 179.1 | -173.6 | -179.7 | 0 | 109.3 | | |
| 24 | T | 36.5 | Very low | 35.7 | Very low | 125 Ų | 125 | 135 Ų | 135 | 77% | 0.767 | 78% | 0.78 | S | S | * | * | | | trans | -82.5 | 137 | 169.1 | 38.9 | 0 | 0 | 0 | 0 | 110.5 | T22 | T22-T24 PolarHBondContact O-N 2.97Š|
| 25 | P | 35.5 | Very low | 35.5 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | | | trans | -75.3 | 141.1 | -179 | 30 | -31.6 | 0 | 0 | 0 | 111.1 | V27 | P25-V27 PolarHBondContact O-N 3.43Š|
| 26 | N | 34 | Very low | 35.2 | Very low | 170 Ų | 170 | 134.2 Ų | 134.2 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | | | trans | -44.4 | 119.5 | 170.8 | -107.1 | -21.1 | 0 | 0 | 0 | 111.9 | | |
| 27 | V | 38 | Very low | 35.1 | Very low | 134 Ų | 134 | 136 Ų | 136 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | | | trans | -118.8 | 109.8 | 161.3 | -166 | 0 | 0 | 0 | 0 | 107 | P25 | P25-V27 PolarHBondContact O-N 3.43Š|
| 28 | S | 36.4 | Very low | 35 | Very low | 100 Ų | 100 | 135 Ų | 135 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | | | trans | -63.6 | 142.2 | 177.7 | -52.8 | 0 | 0 | 0 | 0 | 111.2 | A30 | S28-A30 PolarHBondContact O-N 3.14Š|
| 29 | P | 37.9 | Very low | 35.2 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | | | trans | -71.2 | 114.5 | 164.4 | 28.2 | -28.5 | 0 | 0 | 0 | 108.4 | N31 | P29-N31 PolarHBondContact O-N 3.03Š|
| 30 | A | 37.2 | Very low | 35.5 | Very low | 84 Ų | 84 | 138.4 Ų | 138.4 | 69% | 0.694 | 79% | 0.787 | S | S | * | * | | | trans | -65.9 | 122.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | S28 S32 | S28-A30 PolarHBondContact O-N 3.14Å; A30-S32 PolarHBondContact O-N 3.41Å |
| 31 | N | 31.4 | Very low | 35.4 | Very low | 167 Ų | 167 | 140.2 Ų | 140.2 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | | | trans | -65.6 | 114.7 | 160.4 | -72.2 | -25.5 | 0 | 0 | 0 | 108.1 | P29 | P29-N31 PolarHBondContact O-N 3.03Š|
| 32 | S | 33.4 | Very low | 35.9 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | | | trans | -131.1 | 84.3 | 171 | -50.9 | 0 | 0 | 0 | 0 | 108.7 | A30 S34 | A30-S32 PolarHBondContact O-N 3.41Å; S32-S34 PolarHBondContact O-N 3.42Å |
| 33 | C | 29.2 | Very low | 36 | Very low | 139 Ų | 139 | 139.9 Ų | 139.9 | 94% | 0.939 | 80% | 0.799 | S | S | * | * | | | trans | -75.4 | 112.2 | 159.1 | -70.9 | 0 | 0 | 0 | 0 | 107.6 | | |
| 34 | S | 32.8 | Very low | 36.4 | Very low | 101 Ų | 101 | 139.2 Ų | 139.2 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | | | trans | -156.6 | 95 | 162.8 | 62 | 0 | 0 | 0 | 0 | 109.9 | S32 | S32-S34 PolarHBondContact O-N 3.42Š|
| 35 | S | 39 | Very low | 36.4 | Very low | 117 Ų | 117 | 140.8 Ų | 140.8 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | -125.5 | 93.2 | 153.5 | -67.6 | 0 | 0 | 0 | 0 | 106.6 | | |
| 36 | H | 36.6 | Very low | 36.6 | Very low | 177 Ų | 177 | 141 Ų | 141 | 82% | 0.819 | 81% | 0.805 | S | S | * | * | | | trans | -67 | 113.1 | 157.9 | -109.7 | -76.4 | 0 | 0 | 0 | 106.6 | | |
| 37 | D | 36.8 | Very low | 36.8 | Very low | 143 Ų | 143 | 140.4 Ų | 140.4 | 77% | 0.765 | 80% | 0.802 | S | S | * | * | | | trans | -117.3 | 101.8 | 155.7 | -79.9 | -37.5 | 0 | 0 | 0 | 107.4 | | |
| 38 | S | 34.3 | Very low | 36.8 | Very low | 89 Ų | 89 | 137.5 Ų | 137.5 | 62% | 0.622 | 80% | 0.799 | S | S | * | * | | | trans | -90.6 | 113.7 | 169.5 | 154.5 | 0 | 0 | 0 | 0 | 107 | | |
| 39 | Y | 38.8 | Very low | 36.7 | Very low | 215 Ų | 215 | 140.3 Ų | 140.3 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | | | trans | -132.4 | 113.9 | 158.5 | -82.6 | -76.2 | 0 | 0 | 0 | 109.9 | | |
| 40 | D | 40.7 | Very low | 37 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -63.7 | 137.8 | 174.7 | -95.5 | -41.5 | 0 | 0 | 0 | 111.8 | | |
| 41 | H | 34.3 | Very low | 36.8 | Very low | 187 Ų | 187 | 146.6 Ų | 146.6 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | | | trans | -81.2 | 120 | 166.6 | -78.5 | -60 | 0 | 0 | 0 | 110 | | |
| 42 | T | 43.7 | Very low | 37.1 | Very low | 137 Ų | 137 | 146.5 Ų | 146.5 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | | | trans | -148.2 | 125.4 | 147.2 | 28.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 43 | N | 37.2 | Very low | 37.3 | Very low | 154 Ų | 154 | 150.7 Ų | 150.7 | 82% | 0.824 | 82% | 0.816 | S | S | * | * | | | trans | -38.1 | 142.5 | 175.6 | -60.9 | -44.7 | 0 | 0 | 0 | 117.3 | | |
| 44 | Q | 41.1 | Very low | 37.5 | Very low | 196 Ų | 196 | 151.9 Ų | 151.9 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | | | | -167.8 | 152.4 | 116 | -105.5 | 177.5 | 72.3 | 0 | 0 | 113.4 | | |
| 45 | I | 36 | Very low | 37.6 | Very low | 158 Ų | 158 | 155.7 Ų | 155.7 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | | | trans | -79.4 | 138.3 | -163.8 | -64.1 | 151.6 | 0 | 0 | 0 | 111.4 | | |
| 46 | S | 40.1 | Very low | 37 | Very low | 117 Ų | 117 | 158.3 Ų | 158.3 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | trans | -173.2 | 147.6 | 136.4 | -124.5 | 0 | 0 | 0 | 0 | 113 | | |
| 47 | D | 37.3 | Very low | 36.7 | Very low | 158 Ų | 158 | 153.3 Ų | 153.3 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | | | trans | -59.2 | 152.3 | -166.3 | -58.1 | -62.1 | 0 | 0 | 0 | 116.2 | | |
| 48 | G | 38.1 | Very low | 36.2 | Very low | 72 Ų | 72 | 153.1 Ų | 153.1 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | | | trans | 153.8 | 102.1 | 160.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q50 | G48-Q50 PolarHBondContact O-N 3.11Š|
| 49 | N | 36 | Very low | 36 | Very low | 160 Ų | 160 | 155.4 Ų | 155.4 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | | | trans | -35.1 | 130 | 167.1 | -71.4 | -46.1 | 0 | 0 | 0 | 113.7 | | |
| 50 | Q | 43 | Very low | 35.4 | Very low | 167 Ų | 167 | 150.5 Ų | 150.5 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | | | | 157.1 | 122.4 | 119.8 | -82.8 | 178.9 | 25.2 | 0 | 0 | 111.6 | G48 | G48-Q50 PolarHBondContact O-N 3.11Š|
| 51 | Q | 34.2 | Very low | 34.9 | Very low | 172 Ų | 172 | 150.9 Ų | 150.9 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | | | trans | 47 | 94 | 140.3 | -56.9 | -175.5 | -0.3 | 0 | 0 | 118.5 | | |
| 52 | N | 37.1 | Very low | 34.7 | Very low | 164 Ų | 164 | 150 Ų | 150 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | | | trans | -167.9 | 111.9 | 131 | -111 | -36.6 | 0 | 0 | 0 | 111.5 | Q54 | N52-Q54 PolarHBondContact O-N 3.18Å; N52-Q54 VanDerWaalsContact O-N 3.16Å |
| 53 | K | 36.4 | Very low | 34.1 | Very low | 188 Ų | 188 | 150.1 Ų | 150.1 | 82% | 0.817 | 78% | 0.784 | S | S | * | * | | | trans | -77.7 | 93.5 | 168.5 | -77.9 | -178.5 | 176.6 | 179.7 | 0 | 108.3 | F55 | K53-F55 HydrophobicContact CB-CD2 4.47Å; K53-F55 HydrophobicContact CB-CE2 4.21Å; K53-F55 PolarHBondContact O-N 3.1Å |
| 54 | Q | 33.8 | Very low | 34.1 | Very low | 165 Ų | 165 | 151.5 Ų | 151.5 | 77% | 0.771 | 79% | 0.79 | S | S | * | * | | | trans | -82.1 | 102.7 | 170.3 | -148.3 | 171.1 | 7.9 | 0 | 0 | 108.2 | N52 H56 | N52-Q54 PolarHBondContact O-N 3.18Å; N52-Q54 VanDerWaalsContact O-N 3.16Å; Q54-H56 PolarHBondContact O-N 3.35Å |
| 55 | F | 34.8 | Very low | 33.6 | Very low | 180 Ų | 180 | 146.6 Ų | 146.6 | 79% | 0.789 | 78% | 0.775 | S | S | * | * | | | trans | -77.2 | 104.7 | 173 | -80 | -87.2 | 0 | 0 | 0 | 109.4 | K53 | K53-F55 HydrophobicContact CB-CD2 4.47Å; K53-F55 HydrophobicContact CB-CE2 4.21Å; K53-F55 PolarHBondContact O-N 3.1Å |
| 56 | H | 28 | Very low | 33.5 | Very low | 172 Ų | 172 | 145.7 Ų | 145.7 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | | | trans | -76.4 | 114.9 | 157.6 | -77.4 | -80.6 | 0 | 0 | 0 | 108.2 | Q54 | Q54-H56 PolarHBondContact O-N 3.35Š|
| 57 | S | 28.9 | Very low | 33 | Very low | 73 Ų | 73 | 149.4 Ų | 149.4 | 51% | 0.51 | 78% | 0.776 | S | S | . | * | | | trans | -130.7 | 95.8 | 169.7 | -163 | 0 | 0 | 0 | 0 | 109.8 | F59 | S57-F59 PolarHBondContact O-N 3.12Å; S57-F59 WeakPolarHBondContact OG-CD2 2.94Å; S57-F59 WeakPolarHBondContact OG-CE2 2.99Å; S57-F59 WeakPolarHBondContact OG-CZ 3.33Å |
| 58 | T | 26.4 | Very low | 32.8 | Very low | 139 Ų | 139 | 151.8 Ų | 151.8 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | | | trans | -66.7 | 105.5 | 162.8 | 20.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 59 | F | 30.2 | Very low | 32.4 | Very low | 136 Ų | 136 | 154 Ų | 154 | 60% | 0.596 | 78% | 0.778 | S | S | * | * | | | trans | -108.5 | 101.7 | 172.2 | -83.6 | -60.4 | 0 | 0 | 0 | 110.2 | S57 Y61 | S57-F59 PolarHBondContact O-N 3.12Å; S57-F59 WeakPolarHBondContact OG-CD2 2.94Å; S57-F59 WeakPolarHBondContact OG-CE2 2.99Å; S57-F59 WeakPolarHBondContact OG-CZ 3.33Å; F59-Y61 HydrophobicContact CB-CD2 3.82Å; F59-Y61 HydrophobicContact CB-CE2 3.56Å; F59-Y61 HydrophobicContact CD1-CD2 4.14Å; F59-Y61 HydrophobicContact CD1-CE1 4.4Å; F59-Y61 AromaticContact CD1-CE2 3.13Å; F59-Y61 HydrophobicContact CD1-CE2 3.13Å; F59-Y61 AromaticContact CD1-CZ 3.3Å; F59-Y61 WeakPolarHBondContact CD1-OH 3.13Å; F59-Y61 HydrophobicContact CD2-CE2 4.4Å; F59-Y61 AromaticContact CE1-CE2 3.88Å; F59-Y61 HydrophobicContact CE1-CE2 3.88Å; F59-Y61 AromaticContact CE1-CZ 3.67Å; F59-Y61 WeakPolarHBondContact CE1-OH 3.38Å; F59-Y61 HydrophobicContact CG-CD2 4.24Å; F59-Y61 AromaticContact CG-CE2 3.46Å; F59-Y61 HydrophobicContact CG-CE2 3.46Å; F59-Y61 VanDerWaalsContact CG-CE2 3.46Å |
| 60 | S | 26.2 | Very low | 32 | Very low | 113 Ų | 113 | 155.2 Ų | 155.2 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | | | trans | -91.7 | 101.6 | 165.5 | -51.4 | 0 | 0 | 0 | 0 | 108.3 | | |
| 61 | Y | 31.1 | Very low | 31.4 | Very low | 160 Ų | 160 | 153.3 Ų | 153.3 | 63% | 0.627 | 78% | 0.776 | S | S | * | * | | | trans | -112.1 | 88.9 | 172.3 | -69.5 | -69.7 | 0 | 0 | 0 | 110.1 | F59 L63 | F59-Y61 HydrophobicContact CB-CD2 3.82Å; F59-Y61 HydrophobicContact CB-CE2 3.56Å; F59-Y61 HydrophobicContact CD1-CD2 4.14Å; F59-Y61 HydrophobicContact CD1-CE1 4.4Å; F59-Y61 AromaticContact CD1-CE2 3.13Å; F59-Y61 HydrophobicContact CD1-CE2 3.13Å; F59-Y61 AromaticContact CD1-CZ 3.3Å; F59-Y61 WeakPolarHBondContact CD1-OH 3.13Å; F59-Y61 HydrophobicContact CD2-CE2 4.4Å; F59-Y61 AromaticContact CE1-CE2 3.88Å; F59-Y61 HydrophobicContact CE1-CE2 3.88Å; F59-Y61 AromaticContact CE1-CZ 3.67Å; F59-Y61 WeakPolarHBondContact CE1-OH 3.38Å; F59-Y61 HydrophobicContact CG-CD2 4.24Å; F59-Y61 AromaticContact CG-CE2 3.46Å; F59-Y61 HydrophobicContact CG-CE2 3.46Å; F59-Y61 VanDerWaalsContact CG-CE2 3.46Å; Y61-L63 HydrophobicContact CD1-CD1 4.34Å; Y61-L63 PolarHBondContact O-N 3.47Å |
| 62 | N | 28.9 | Very low | 31.1 | Very low | 168 Ų | 168 | 151.5 Ų | 151.5 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | | | trans | -86.8 | 81 | 159.3 | -78 | -29.1 | 0 | 0 | 0 | 108 | | |
| 63 | L | 31.3 | Very low | 30.6 | Very low | 141 Ų | 141 | 150.8 Ų | 150.8 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | | | trans | -131.4 | 97.3 | 170.7 | -74.2 | 167.6 | 0 | 0 | 0 | 107.8 | Y61 P65 | Y61-L63 HydrophobicContact CD1-CD1 4.34Å; Y61-L63 PolarHBondContact O-N 3.47Å; L63-P65 VanDerWaalsContact O-CD 3.22Å; L63-P65 WeakPolarHBondContact O-CD 3.21Å |
| 64 | L | 37.6 | Very low | 30.4 | Very low | 182 Ų | 182 | 148.5 Ų | 148.5 | 95% | 0.953 | 76% | 0.764 | S | S | * | * | | | trans | -88.4 | 106.1 | 161.1 | -89.4 | 144.1 | 0 | 0 | 0 | 107.4 | | |
| 65 | P | 30.3 | Very low | 30.2 | Very low | 94 Ų | 94 | 148.8 Ų | 148.8 | 61% | 0.61 | 77% | 0.77 | S | S | * | * | | | trans | -83.9 | 145.7 | 165.7 | 34.2 | -30.1 | 0 | 0 | 0 | 109.3 | L63 | L63-P65 VanDerWaalsContact O-CD 3.22Å; L63-P65 WeakPolarHBondContact O-CD 3.21Å |
| 66 | N | 33.1 | Very low | 30.2 | Very low | 138 Ų | 138 | 148.1 Ų | 148.1 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | | | trans | 84.2 | 78 | 158.4 | -48.9 | -26.8 | 0 | 0 | 0 | 117.4 | | |
| 67 | Q | 30.5 | Very low | 30.4 | Very low | 195 Ų | 195 | 149.2 Ų | 149.2 | 91% | 0.911 | 77% | 0.765 | S | S | * | * | | | trans | -110.2 | 105.2 | 145.2 | -76.4 | -171.3 | -8.7 | 0 | 0 | 109 | | |
| 68 | W | 33.7 | Very low | 30.5 | Very low | 209 Ų | 209 | 151.1 Ų | 151.1 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | | | trans | -121.1 | 119.7 | 163.6 | -71.6 | 58.9 | 0 | 0 | 0 | 106.9 | F70 | W68-F70 AromaticContact CE3-CE2 3.94Å; W68-F70 HydrophobicContact CE3-CE2 3.94Å; W68-F70 HydrophobicContact CE3-CZ 4.15Å; W68-F70 HydrophobicContact CZ3-CZ 4.35Å |
| 69 | S | 28.5 | Very low | 30.9 | Very low | 118 Ų | 118 | 153.6 Ų | 153.6 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | | | trans | -124.6 | 119.5 | 169.5 | 47.2 | 0 | 0 | 0 | 0 | 109 | | |
| 70 | F | 28.9 | Very low | 31 | Very low | 185 Ų | 185 | 156.1 Ų | 156.1 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | | | trans | -94.8 | 120.5 | 169.8 | -76.2 | -87.8 | 0 | 0 | 0 | 108.7 | W68 | W68-F70 AromaticContact CE3-CE2 3.94Å; W68-F70 HydrophobicContact CE3-CE2 3.94Å; W68-F70 HydrophobicContact CE3-CZ 4.15Å; W68-F70 HydrophobicContact CZ3-CZ 4.35Å |
| 71 | T | 29.6 | Very low | 31.5 | Very low | 127 Ų | 127 | 157.4 Ų | 157.4 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | | | trans | -104.2 | 110.6 | 161.3 | 42 | 0 | 0 | 0 | 0 | 108.3 | N73 | T71-N73 PolarHBondContact O-N 2.83Š|
| 72 | N | 28 | Very low | 31.6 | Very low | 134 Ų | 134 | 156.9 Ų | 156.9 | 72% | 0.717 | 80% | 0.799 | S | S | * | * | | | trans | -90.2 | 99.2 | 173 | -171.6 | -6.2 | 0 | 0 | 0 | 108.7 | N74 | N72-N74 PolarHBondContact O-N 3.43Å; N72-N74 PolarHBondContact OD1-ND2 3.01Å |
| 73 | N | 27.5 | Very low | 31.9 | Very low | 150 Ų | 150 | 160 Ų | 160 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | | | trans | -89 | 95.8 | 170.2 | -79.4 | -26.5 | 0 | 0 | 0 | 109.2 | T71 | T71-N73 PolarHBondContact O-N 2.83Š|
| 74 | N | 30.9 | Very low | 31.9 | Very low | 139 Ų | 139 | 159.2 Ų | 159.2 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | | | trans | -123.9 | 81.9 | 163.8 | -92.3 | -33.8 | 0 | 0 | 0 | 109.4 | N72 | N72-N74 PolarHBondContact O-N 3.43Å; N72-N74 PolarHBondContact OD1-ND2 3.01Å |
| 75 | I | 30.5 | Very low | 31.7 | Very low | 172 Ų | 172 | 160.4 Ų | 160.4 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | | | trans | -125.5 | 99 | 158.1 | -59.5 | 178.3 | 0 | 0 | 0 | 106.7 | | |
| 76 | K | 34.2 | Very low | 32 | Very low | 166 Ų | 166 | 160.8 Ų | 160.8 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | | | trans | -152.6 | 127.1 | 165.7 | -120.1 | 174.6 | -176.6 | -173.9 | 0 | 109.7 | | |
| 77 | Y | 31.9 | Very low | 31.9 | Very low | 195 Ų | 195 | 159.1 Ų | 159.1 | 77% | 0.765 | 81% | 0.805 | S | S | * | * | | | trans | 84.5 | 83.3 | 164.8 | -50.4 | -71.2 | 0 | 0 | 0 | 118.8 | | |
| 78 | A | 31.2 | Very low | 32.2 | Very low | 113 Ų | 113 | 157.5 Ų | 157.5 | 93% | 0.934 | 80% | 0.802 | S | S | * | * | | | trans | -94 | 99.2 | 145 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 79 | K | 34.2 | Very low | 32.1 | Very low | 191 Ų | 191 | 151.9 Ų | 151.9 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | | | trans | -137.2 | 110.6 | 164.6 | -168.9 | -179.7 | -170.6 | 179 | 0 | 105.7 | | |
| 80 | K | 32.7 | Very low | 32.4 | Very low | 188 Ų | 188 | 155.2 Ų | 155.2 | 82% | 0.817 | 79% | 0.791 | S | S | * | * | | | trans | 174.2 | 120.9 | 140.5 | -98 | -179.6 | 169.2 | 177.7 | 0 | 112.1 | | |
| 81 | I | 37.4 | Very low | 32.7 | Very low | 141 Ų | 141 | 153.7 Ų | 153.7 | 72% | 0.723 | 79% | 0.786 | S | S | * | * | | | | 76.1 | 107.7 | 125.6 | -60.8 | 168.3 | 0 | 0 | 0 | 117.5 | | |
| 82 | N | 33 | Very low | 32.9 | Very low | 149 Ų | 149 | 153.6 Ų | 153.6 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | | | trans | -30.7 | 136.2 | 150.9 | -59.6 | -35.9 | 0 | 0 | 0 | 114.4 | | |
| 83 | R | 34.3 | Very low | 33.3 | Very low | 233 Ų | 233 | 154.1 Ų | 154.1 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | | | | 179 | 131 | 116.3 | -99.2 | 175.5 | -170.1 | -178.2 | 3.5 | 112.6 | | |
| 84 | C | 31.6 | Very low | 33.6 | Very low | 124 Ų | 124 | 157.3 Ų | 157.3 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | | | trans | 67.4 | 126.9 | 143.2 | -59.2 | 0 | 0 | 0 | 0 | 121.3 | | |
| 85 | K | 33.7 | Very low | 33.6 | Very low | 207 Ų | 207 | 159.1 Ų | 159.1 | 90% | 0.9 | 78% | 0.778 | S | S | * | * | | | trans | -76.9 | 145.9 | 171.3 | -58.8 | 169.9 | 172.2 | 179.2 | 0 | 111.1 | | |
| 86 | S | 36.2 | Very low | 33.8 | Very low | 103 Ų | 103 | 159.6 Ų | 159.6 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | | | | 176.5 | 113.8 | 127.2 | 58.9 | 0 | 0 | 0 | 0 | 106.8 | | |
| 87 | S | 32.4 | Very low | 33.7 | Very low | 102 Ų | 102 | 156.8 Ų | 156.8 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | | | | 56.3 | 105.8 | 98.2 | -41.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 88 | D | 35.6 | Very low | 33.6 | Very low | 161 Ų | 161 | 155.7 Ų | 155.7 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | | | | -177.3 | 132.5 | 109 | -82.9 | -20.9 | 0 | 0 | 0 | 111.3 | | |
| 89 | S | 31.3 | Very low | 33.7 | Very low | 92 Ų | 92 | 157.2 Ų | 157.2 | 64% | 0.643 | 77% | 0.771 | S | S | * | * | | | trans | -67.4 | 154.9 | 170.8 | 57.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 90 | Y | 36.4 | Very low | 33.4 | Very low | 188 Ų | 188 | 151.9 Ų | 151.9 | 74% | 0.737 | 76% | 0.757 | S | S | * | * | | | | 171.7 | 125.8 | 118.9 | -109.4 | -93.7 | 0 | 0 | 0 | 109.7 | | |
| 91 | Q | 34.9 | Very low | 33.3 | Very low | 152 Ų | 152 | 152.2 Ų | 152.2 | 71% | 0.71 | 76% | 0.759 | S | S | * | * | | | trans | 60.4 | 149.8 | 145.6 | -76.1 | -176.1 | 1 | 0 | 0 | 117.6 | | |
| 92 | E | 34.2 | Very low | 33.1 | Very low | 125 Ų | 125 | 151.2 Ų | 151.2 | 58% | 0.584 | 76% | 0.759 | S | S | * | * | | | cis | -170 | 138.7 | 27 | -138.8 | 179.4 | 147.3 | 0 | 0 | 108.5 | | |
| 93 | K | 34.9 | Very low | 33 | Very low | 146 Ų | 146 | 151.9 Ų | 151.9 | 64% | 0.635 | 76% | 0.762 | S | S | * | * | | | trans | 52.2 | 123 | 135.1 | -74.2 | 174.7 | -158.8 | 159.3 | 0 | 121.5 | | |
| 94 | R | 33.5 | Very low | 32.9 | Very low | 216 Ų | 216 | 148 Ų | 148 | 82% | 0.815 | 76% | 0.759 | S | S | * | * | | | | 74.4 | 111.9 | 127 | -64.6 | 175.2 | 179.2 | -150.9 | -1 | 117.6 | | |
| 95 | Q | 32.8 | Very low | 32.9 | Very low | 178 Ų | 178 | 151.6 Ų | 151.6 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | | | | 176.7 | 104.1 | 103.1 | -92.4 | 176.2 | 31.2 | 0 | 0 | 109.2 | | |
| 96 | L | 32.6 | Very low | 32.7 | Very low | 182 Ų | 182 | 146.3 Ų | 146.3 | 95% | 0.953 | 75% | 0.75 | S | S | * | * | | | trans | -89 | 108.5 | 155.6 | -88.9 | 160.5 | 0 | 0 | 0 | 105.7 | | |
| 97 | V | 33.9 | Very low | 32.6 | Very low | 106 Ų | 106 | 149.1 Ų | 149.1 | 64% | 0.642 | 76% | 0.756 | S | S | * | * | | | trans | -112 | 106.8 | 164.3 | 175.9 | 0 | 0 | 0 | 0 | 107.2 | I99 | V97-I99 HydrophobicContact CG1-CG1 4.19Å; V97-I99 PolarHBondContact O-N 3.24Å |
| 98 | E | 29.4 | Very low | 32.7 | Very low | 172 Ų | 172 | 152.6 Ų | 152.6 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | | | trans | -52.2 | 115.1 | 159.6 | -171.3 | 177.2 | -170.2 | 0 | 0 | 110.1 | | |
| 99 | I | 32.3 | Very low | 32.5 | Very low | 146 Ų | 146 | 152.1 Ų | 152.1 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | | | trans | -116.9 | 89.8 | 161 | -58.7 | -179.9 | 0 | 0 | 0 | 106.6 | V97 | V97-I99 HydrophobicContact CG1-CG1 4.19Å; V97-I99 PolarHBondContact O-N 3.24Å |
| 100 | S | 29.1 | Very low | 32.5 | Very low | 78 Ų | 78 | 151.5 Ų | 151.5 | 55% | 0.545 | 75% | 0.749 | S | S | . | * | | | trans | -68.7 | 153.7 | 156.1 | 54.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 101 | K | 30.1 | Very low | 32.5 | Very low | 195 Ų | 195 | 148 Ų | 148 | 85% | 0.848 | 75% | 0.747 | S | S | * | * | | | trans | 74 | 87.4 | 165.4 | -56.7 | 175.6 | 179.3 | 175.5 | 0 | 118 | | |
| 102 | V | 32.9 | Very low | 32.4 | Very low | 120 Ų | 120 | 148.3 Ų | 148.3 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | | | trans | -142.3 | 69.1 | 138.8 | -165.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 103 | N | 31.7 | Very low | 32.5 | Very low | 163 Ų | 163 | 147 Ų | 147 | 87% | 0.872 | 76% | 0.758 | S | S | * | * | | | trans | -93.5 | 89.4 | 158.6 | -86 | -9.6 | 0 | 0 | 0 | 107.1 | | |
| 104 | N | 30.6 | Very low | 32.5 | Very low | 151 Ų | 151 | 147.3 Ų | 147.3 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | | | trans | -164.7 | 71.6 | 163.4 | -96.4 | -22 | 0 | 0 | 0 | 108.7 | S106 | N104-S106 PolarHBondContact O-N 3.41Š|
| 105 | F | 32.7 | Very low | 32.8 | Very low | 201 Ų | 201 | 142.1 Ų | 142.1 | 88% | 0.882 | 76% | 0.764 | S | S | * | * | | | trans | -88.6 | 95.1 | 158.5 | -92.3 | -81.9 | 0 | 0 | 0 | 107.5 | L107 | F105-L107 PolarHBondContact O-N 2.97Š|
| 106 | S | 29.9 | Very low | 33 | Very low | 96 Ų | 96 | 140.8 Ų | 140.8 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | | | trans | -61 | 120 | 164.7 | 59.5 | 0 | 0 | 0 | 0 | 108.3 | N104 F108 | N104-S106 PolarHBondContact O-N 3.41Å; S106-F108 PolarHBondContact O-N 3.34Å |
| 107 | L | 33.7 | Very low | 33 | Very low | 161 Ų | 161 | 137.3 Ų | 137.3 | 84% | 0.843 | 75% | 0.753 | S | S | * | * | | | trans | -56.5 | 102.8 | 163.7 | -92.4 | 92.1 | 0 | 0 | 0 | 108.6 | F105 M109 | F105-L107 PolarHBondContact O-N 2.97Å; L107-M109 PolarHBondContact O-N 3.43Å |
| 108 | F | 33.4 | Very low | 33.4 | Very low | 176 Ų | 176 | 137.6 Ų | 137.6 | 77% | 0.772 | 76% | 0.76 | S | S | * | * | | | trans | -89.2 | 90.6 | 167.5 | -142.7 | -103.9 | 0 | 0 | 0 | 107.9 | S106 S110 | S106-F108 PolarHBondContact O-N 3.34Å; F108-S110 WeakPolarHBondContact CD1-OG 3.42Å; F108-S110 WeakPolarHBondContact CE1-OG 3.33Å; F108-S110 PolarHBondContact O-N 3.1Å |
| 109 | M | 31.7 | Very low | 33.9 | Very low | 150 Ų | 150 | 136.5 Ų | 136.5 | 74% | 0.739 | 76% | 0.76 | S | S | * | * | | | trans | -80.1 | 88 | 165.1 | -79 | -98.5 | 52.6 | 0 | 0 | 108.2 | L107 | L107-M109 PolarHBondContact O-N 3.43Š|
| 110 | S | 31.6 | Very low | 34.1 | Very low | 79 Ų | 79 | 138.3 Ų | 138.3 | 55% | 0.552 | 77% | 0.765 | S | S | * | * | | | trans | -93.7 | 97.8 | 165.5 | -69.5 | 0 | 0 | 0 | 0 | 109.8 | F108 N112 | F108-S110 WeakPolarHBondContact CD1-OG 3.42Å; F108-S110 WeakPolarHBondContact CE1-OG 3.33Å; F108-S110 PolarHBondContact O-N 3.1Å; S110-N112 PolarHBondContact O-N 3.25Å |
| 111 | T | 35.9 | Very low | 34.5 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 71% | 0.712 | 78% | 0.782 | S | S | * | * | | | trans | -66.4 | 116.2 | 156.9 | 47.4 | 0 | 0 | 0 | 0 | 108 | S113 | T111-S113 PolarHBondContact O-N 3.28Å; T111-S113 VanDerWaalsContact O-N 3.1Å |
| 112 | N | 34.2 | Very low | 34.9 | Very low | 158 Ų | 158 | 141.5 Ų | 141.5 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | | | trans | -73.1 | 98.2 | 176.3 | -140.9 | 2.2 | 0 | 0 | 0 | 108.3 | S110 N114 | S110-N112 PolarHBondContact O-N 3.25Å; N112-N114 PolarHBondContact O-N 3.35Å |
| 113 | S | 36.4 | Very low | 35 | Very low | 97 Ų | 97 | 144.3 Ų | 144.3 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | | | trans | -85.8 | 96.9 | 172.1 | -51.1 | 0 | 0 | 0 | 0 | 108.3 | T111 S115 | T111-S113 PolarHBondContact O-N 3.28Å; T111-S113 VanDerWaalsContact O-N 3.1Å; S113-S115 PolarHBondContact O-N 2.94Å; S113-S115 VanDerWaalsContact O-N 3.12Å |
| 114 | N | 34.9 | Very low | 35.3 | Very low | 153 Ų | 153 | 146.2 Ų | 146.2 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -74.8 | 94.9 | 168.3 | -112.6 | 0.2 | 0 | 0 | 0 | 108.6 | N112 | N112-N114 PolarHBondContact O-N 3.35Š|
| 115 | S | 38.4 | Very low | 35.6 | Very low | 107 Ų | 107 | 144 Ų | 144 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | trans | -95.3 | 111.3 | 165.7 | 54.2 | 0 | 0 | 0 | 0 | 109.1 | S113 | S113-S115 PolarHBondContact O-N 2.94Å; S113-S115 VanDerWaalsContact O-N 3.12Å |
| 116 | N | 37.6 | Very low | 36.1 | Very low | 150 Ų | 150 | 140.6 Ų | 140.6 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | | | trans | -72.8 | 131.2 | 167.5 | -82.4 | -20.5 | 0 | 0 | 0 | 110.5 | | |
| 117 | S | 33.9 | Very low | 36.7 | Very low | 109 Ų | 109 | 144.7 Ų | 144.7 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | | | trans | -2.5 | 128.2 | 155.1 | 62.1 | 0 | 0 | 0 | 0 | 118.9 | | |
| 118 | S | 40.3 | Very low | 36.9 | Very low | 111 Ų | 111 | 144.3 Ų | 144.3 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | | | | -164.7 | 122.4 | 111.6 | 61.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 119 | N | 40.7 | Very low | 37.5 | Very low | 150 Ų | 150 | 145.6 Ų | 145.6 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | | | trans | 27.7 | 115.5 | 145.3 | -59.8 | -23.4 | 0 | 0 | 0 | 120.7 | | |
| 120 | Q | 36.3 | Very low | 37.6 | Very low | 184 Ų | 184 | 149.7 Ų | 149.7 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | | | | 30 | 121.3 | 129.8 | -55.3 | -167.3 | 6.7 | 0 | 0 | 118.1 | | |
| 121 | V | 37.3 | Very low | 38.2 | Very low | 148 Ų | 148 | 152.1 Ų | 152.1 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | | | | -164.6 | 141.8 | 116.1 | 164.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 122 | K | 39.1 | Very low | 38.7 | Very low | 192 Ų | 192 | 155.8 Ų | 155.8 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | | | trans | -37.3 | 144.8 | -178.8 | -77.5 | 164.8 | 168.1 | 173.2 | 0 | 119.4 | | |
| 123 | H | 34.7 | Very low | 38.8 | Very low | 178 Ų | 178 | 154.6 Ų | 154.6 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | | | trans | -25.8 | 132.8 | 153.5 | -63 | -92.1 | 0 | 0 | 0 | 117.1 | | |
| 124 | Q | 37.6 | Very low | 39.3 | Very low | 204 Ų | 204 | 155.9 Ų | 155.9 | 95% | 0.953 | 81% | 0.813 | S | S | * | * | | | trans | -150.5 | 147.1 | 137.1 | -149.2 | 157.4 | 28.2 | 0 | 0 | 111.6 | | |
| 125 | T | 37.2 | Very low | 39.3 | Very low | 104 Ų | 104 | 154.9 Ų | 154.9 | 64% | 0.638 | 81% | 0.812 | S | S | * | * | | | trans | -121.1 | 138.6 | -152.1 | -77.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 126 | I | 42.5 | Very low | 39.6 | Very low | 129 Ų | 129 | 155.9 Ų | 155.9 | 66% | 0.662 | 81% | 0.814 | S | S | * | * | | | trans | 67.1 | 121.4 | 155.4 | -59.9 | 162 | 0 | 0 | 0 | 117.8 | | |
| 127 | H | 44.1 | Very low | 39.5 | Very low | 182 Ų | 182 | 153.8 Ų | 153.8 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | | | | -169.3 | 122.1 | 106.4 | -99.3 | -67.2 | 0 | 0 | 0 | 113.3 | | |
| 128 | N | 37.9 | Very low | 39.9 | Very low | 153 Ų | 153 | 160.2 Ų | 160.2 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | | | trans | -73.5 | 128.7 | 175.3 | -144 | -9.1 | 0 | 0 | 0 | 109.5 | | |
| 129 | K | 44.4 | Very low | 39.6 | Very low | 203 Ų | 203 | 161 Ų | 161 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | | | trans | -137.1 | 125.6 | 161.2 | -82.8 | -168.1 | -179.8 | 177.3 | 0 | 112.1 | | |
| 130 | R | 34.6 | Very low | 39.6 | Very low | 236 Ų | 236 | 162.5 Ų | 162.5 | 89% | 0.891 | 82% | 0.821 | S | S | * | * | | | trans | -91.4 | 131.2 | -172.9 | 179.2 | -173.3 | -164.7 | 175.3 | 5 | 109.7 | | |
| 131 | T | 44.5 | Very low | 39.6 | Very low | 130 Ų | 130 | 160.5 Ų | 160.5 | 80% | 0.798 | 82% | 0.821 | S | S | * | * | | | trans | -151.3 | 93.4 | 165.1 | 2.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 132 | K | 46.2 | Very low | 39.9 | Very low | 194 Ų | 194 | 163.6 Ų | 163.6 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | | | | 69.6 | 101.9 | 101.7 | -73.6 | -171.9 | 179.8 | -177.6 | 0 | 113.9 | | |
| 133 | T | 37.4 | Very low | 40.2 | Very low | 133 Ų | 133 | 162.4 Ų | 162.4 | 82% | 0.816 | 81% | 0.814 | S | S | * | * | | | trans | -75.9 | 154.7 | 164.7 | 43.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 134 | P | 45 | Very low | 40.6 | Very low | 124 Ų | 124 | 158.6 Ų | 158.6 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | | | trans | -115.6 | 134.8 | 145.9 | 32.6 | -20 | 0 | 0 | 0 | 111.8 | | |
| 135 | T | 35.8 | Very low | 41.1 | Very low | 131 Ų | 131 | 154 Ų | 154 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | | | trans | -73.5 | 129.4 | 175.7 | -38.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 136 | T | 43.7 | Very low | 41.3 | Very low | 129 Ų | 129 | 156.3 Ų | 156.3 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | | | trans | -164 | 117.4 | 145.3 | -7.2 | 0 | 0 | 0 | 0 | 113 | | |
| 137 | S | 36.8 | Very low | 41.3 | Very low | 106 Ų | 106 | 157.4 Ų | 157.4 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | | | trans | 21 | 122.6 | 147.1 | 59.7 | 0 | 0 | 0 | 0 | 120.5 | | |
| 138 | R | 41.4 | Very low | 41.2 | Very low | 244 Ų | 244 | 155.3 Ų | 155.3 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | | | | -172.3 | 132.4 | 109 | -161 | 166.3 | 174.6 | -177.9 | -3.8 | 110.6 | E140 | R138-E140 PolarHBondContact O-N 3.48Š|
| 139 | T | 33.7 | Very low | 41.5 | Very low | 127 Ų | 127 | 153.9 Ų | 153.9 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | | | trans | -64.9 | 115.8 | 178.7 | -34.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 140 | E | 41.2 | Very low | 41.5 | Very low | 182 Ų | 182 | 148.5 Ų | 148.5 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | | | trans | -132.9 | 115.2 | 156.1 | -89.6 | -171.4 | 174.5 | 0 | 0 | 108.5 | R138 R142 | R138-E140 PolarHBondContact O-N 3.48Å; E140-R142 PolarHBondContact O-N 3.1Å |
| 141 | V | 36.9 | Very low | 42 | Very low | 141 Ų | 141 | 143.1 Ų | 143.1 | 86% | 0.855 | 75% | 0.747 | S | S | * | * | | | trans | -67.8 | 98.4 | 174.2 | 176.6 | 0 | 0 | 0 | 0 | 107 | | |
| 142 | R | 42.4 | Very low | 42.3 | Very low | 214 Ų | 214 | 144.4 Ų | 144.4 | 81% | 0.808 | 74% | 0.742 | S | S | * | * | | | trans | -100 | 110.3 | 177.3 | -156.4 | 173.1 | -174.8 | 175.1 | 1.8 | 108.9 | E140 | E140-R142 PolarHBondContact O-N 3.1Š|
| 143 | E | 46.2 | Very low | 42.6 | Very low | 167 Ų | 167 | 140.2 Ų | 140.2 | 78% | 0.78 | 73% | 0.729 | S | S | * | * | | | trans | -47.5 | 152.1 | 173.7 | -88.2 | -170.1 | 142 | 0 | 0 | 113.2 | L145 | E143-L145 PolarHBondContact O-N 3.14Š|
| 144 | P | 43.4 | Very low | 43.4 | Very low | 98 Ų | 98 | 136.8 Ų | 136.8 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | | | trans | -72.5 | 106.9 | -170.8 | 29.6 | -32.4 | 0 | 0 | 0 | 111.3 | H146 | P144-H146 PolarHBondContact O-N 3.35Š|
| 145 | L | 47.1 | Very low | 43.9 | Very low | 108 Ų | 108 | 137.6 Ų | 137.6 | 57% | 0.565 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | 1 | 170.7 | -108.9 | 149 | 0 | 0 | 0 | 115.3 | E143 | E143-L145 PolarHBondContact O-N 3.14Š|
| 146 | H | 41.9 | Very low | 44.9 | Very low | 151 Ų | 151 | 136.2 Ų | 136.2 | 70% | 0.699 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -79.2 | -14.5 | -174.5 | -89.9 | -73.5 | 0 | 0 | 0 | 115.5 | P144 T150 | P144-H146 PolarHBondContact O-N 3.35Å; H146-T150 PolarHBondContact O-OG1 3.17Å |
| 147 | Q | 42.1 | Very low | 45.3 | Very low | 153 Ų | 153 | 133 Ų | 133 | 72% | 0.715 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -89.2 | -22.6 | -179.5 | -75.3 | -177.2 | -0.5 | 0 | 0 | 114 | T150 | Q147-T150 WeakPolarHBondContact CA-OG1 3.46Å; Q147-T150 PolarHBondContact O-OG1 3.28Å |
| 148 | L | 43.2 | Very low | 45.9 | Very low | 138 Ų | 138 | 137 Ų | 137 | 72% | 0.723 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -83 | -29 | -178.7 | -142.5 | 77.9 | 0 | 0 | 0 | 112.7 | | |
| 149 | E | 43.5 | Very low | 46.1 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 57% | 0.57 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -76.2 | -27.4 | 175.2 | -76.1 | -178.1 | 156.4 | 0 | 0 | 112.8 | N153 | E149-N153 WeakPolarHBondContact O-CB 3.38Å; E149-N153 VanDerWaalsContact O-CG 3.23Å; E149-N153 PolarHBondContact O-N 3.25Å; E149-N153 VanDerWaalsContact O-N 3.15Å; E149-N153 PolarHBondContact O-ND2 2.97Å; E149-N153 VanDerWaalsContact O-ND2 3.16Å |
| 150 | T | 44.5 | Very low | 47 | Very low | 91 Ų | 91 | 132.3 Ų | 132.3 | 56% | 0.558 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -71.5 | -35.8 | 179.7 | 12.3 | 0 | 0 | 0 | 0 | 112.4 | H146 Q147 A154 | H146-T150 PolarHBondContact O-OG1 3.17Å; Q147-T150 WeakPolarHBondContact CA-OG1 3.46Å; Q147-T150 PolarHBondContact O-OG1 3.28Å; T150-A154 PolarHBondContact O-N 3.19Å |
| 151 | L | 44.5 | Very low | 47.3 | Very low | 122 Ų | 122 | 131.5 Ų | 131.5 | 64% | 0.639 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -70.4 | -41.2 | 176 | -85.1 | 160.1 | 0 | 0 | 0 | 112.5 | N153 A154 E155 | L151-N153 VanDerWaalsContact C-N 3.3Å; L151-N153 PolarHBondContact O-N 2.78Å; L151-A154 PolarHBondContact O-N 3.41Å; L151-E155 PolarHBondContact O-N 2.91Å |
| 152 | K | 51.4 | Low | 47.7 | Very low | 158 Ų | 158 | 129.4 Ų | 129.4 | 69% | 0.687 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -63.8 | -34.2 | 174.7 | -97 | -178.4 | 174.5 | 179.4 | 0 | 113 | N156 | K152-N156 PolarHBondContact O-N 3.49Å |
| 153 | N | 52.7 | Low | 48.1 | Very low | 106 Ų | 106 | 122 Ų | 122 | 57% | 0.567 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -73.9 | -31.6 | 178.3 | -74.3 | -23.2 | 0 | 0 | 0 | 113 | E149 L151 A157 | E149-N153 WeakPolarHBondContact O-CB 3.38Å; E149-N153 VanDerWaalsContact O-CG 3.23Å; E149-N153 PolarHBondContact O-N 3.25Å; E149-N153 VanDerWaalsContact O-N 3.15Å; E149-N153 PolarHBondContact O-ND2 2.97Å; E149-N153 VanDerWaalsContact O-ND2 3.16Å; L151-N153 VanDerWaalsContact C-N 3.3Å; L151-N153 PolarHBondContact O-N 2.78Å; N153-A157 WeakPolarHBondContact O-CB 3.39Å; N153-A157 PolarHBondContact O-N 2.68Å |
| 154 | A | 54.3 | Low | 48 | Very low | 61 Ų | 61 | 122.5 Ų | 122.5 | 50% | 0.504 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -69.6 | -40.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T150 L151 A157 R158 | T150-A154 PolarHBondContact O-N 3.19Å; L151-A154 PolarHBondContact O-N 3.41Å; A154-A157 PolarHBondContact O-N 3.32Å; A154-R158 PolarHBondContact O-N 3.19Å; A154-R158 VanDerWaalsContact O-N 3.12Å |
| 155 | E | 54.9 | Low | 48.1 | Very low | 140 Ų | 140 | 123 Ų | 123 | 65% | 0.654 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.8 | -39.7 | 176.4 | -69.8 | -176.8 | 160.2 | 0 | 0 | 112 | L151 A157 R158 Y159 | L151-E155 PolarHBondContact O-N 2.91Å; E155-A157 PolarHBondContact O-N 3.05Å; E155-R158 PolarHBondContact O-N 3.31Å; E155-Y159 PolarHBondContact O-N 3.08Å |
| 156 | N | 57.9 | Low | 48.1 | Very low | 103 Ų | 103 | 122 Ų | 122 | 55% | 0.551 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.5 | -39 | 174.8 | -113.1 | -2.9 | 0 | 0 | 0 | 112.4 | K152 R158 Y159 I160 | K152-N156 PolarHBondContact O-N 3.49Å; N156-R158 VanDerWaalsContact C-N 3.31Å; N156-R158 PolarHBondContact O-N 3.19Å; N156-Y159 PolarHBondContact O-N 2.79Å; N156-I160 VanDerWaalsContact O-CG1 3.3Å; N156-I160 WeakPolarHBondContact O-CG1 3.31Å; N156-I160 PolarHBondContact O-N 3.23Å |
| 157 | A | 51.8 | Low | 48.2 | Very low | 61 Ų | 61 | 121.7 Ų | 121.7 | 50% | 0.504 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.8 | -37.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | N153 A154 E155 W161 | N153-A157 WeakPolarHBondContact O-CB 3.39Å; N153-A157 PolarHBondContact O-N 2.68Å; A154-A157 PolarHBondContact O-N 3.32Å; E155-A157 PolarHBondContact O-N 3.05Å; A157-W161 WeakPolarHBondContact O-CB 3.38Å; A157-W161 PolarHBondContact O-N 3.49Å |
| 158 | R | 49.1 | Very low | 48.2 | Very low | 191 Ų | 191 | 125.2 Ų | 125.2 | 72% | 0.721 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -68.4 | -41 | 177.3 | -149.9 | 178.1 | -179.9 | -161.7 | -0.7 | 111.7 | A154 E155 N156 W161 L162 | A154-R158 PolarHBondContact O-N 3.19Å; A154-R158 VanDerWaalsContact O-N 3.12Å; E155-R158 PolarHBondContact O-N 3.31Å; N156-R158 VanDerWaalsContact C-N 3.31Å; N156-R158 PolarHBondContact O-N 3.19Å; R158-W161 PolarHBondContact O-N 2.93Å; R158-L162 HydrophobicContact CG-CD1 4.35Å; R158-L162 VanDerWaalsContact O-CD1 3.31Å; R158-L162 WeakPolarHBondContact O-CD1 3.24Å; R158-L162 PolarHBondContact O-N 3.41Å; R158-L162 VanDerWaalsContact O-N 3.09Å |
| 159 | Y | 45.2 | Very low | 48 | Very low | 177 Ų | 177 | 122.5 Ų | 122.5 | 69% | 0.694 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -61.6 | -50.1 | 173.8 | -119.3 | -91.3 | 0 | 0 | 0 | 111.2 | E155 N156 W161 L162 T163 | E155-Y159 PolarHBondContact O-N 3.08Å; N156-Y159 PolarHBondContact O-N 2.79Å; Y159-W161 VanDerWaalsContact C-N 3.3Å; Y159-W161 PolarHBondContact O-N 3.49Å; Y159-L162 PolarHBondContact O-N 2.86Å; Y159-T163 PolarHBondContact O-N 2.74Å; Y159-T163 PolarHBondContact O-OG1 3.45Å |
| 160 | I | 52.9 | Low | 47.8 | Very low | 94 Ų | 94 | 121 Ų | 121 | 48% | 0.482 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.7 | -36.6 | -180 | -65.5 | 166.4 | 0 | 0 | 0 | 112.2 | N156 R164 | N156-I160 VanDerWaalsContact O-CG1 3.3Å; N156-I160 WeakPolarHBondContact O-CG1 3.31Å; N156-I160 PolarHBondContact O-N 3.23Å; I160-R164 WeakPolarHBondContact O-CB 3.35Å; I160-R164 WeakPolarHBondContact O-CG 3.12Å; I160-R164 PolarHBondContact O-N 2.8Å |
| 161 | W | 47.1 | Very low | 47.5 | Very low | 165 Ų | 165 | 121.6 Ų | 121.6 | 63% | 0.625 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.7 | -44.8 | 176.9 | -170.2 | 88 | 0 | 0 | 0 | 111.7 | A157 R158 Y159 R164 Q165 | A157-W161 WeakPolarHBondContact O-CB 3.38Å; A157-W161 PolarHBondContact O-N 3.49Å; R158-W161 PolarHBondContact O-N 2.93Å; Y159-W161 VanDerWaalsContact C-N 3.3Å; Y159-W161 PolarHBondContact O-N 3.49Å; W161-R164 PolarHBondContact O-N 3.29Å; W161-Q165 HydrophobicContact CD2-CG 4.26Å; W161-Q165 HydrophobicContact CE3-CG 4.25Å; W161-Q165 HydrophobicContact CH2-CG 4.27Å; W161-Q165 HydrophobicContact CZ2-CG 4.27Å; W161-Q165 HydrophobicContact CZ3-CG 4.25Å; W161-Q165 VanDerWaalsContact O-CG 3.32Å; W161-Q165 WeakPolarHBondContact O-CG 3.38Å; W161-Q165 PolarHBondContact O-N 3.28Å; W161-Q165 VanDerWaalsContact O-N 3.12Å |
| 162 | L | 46.1 | Very low | 47.1 | Very low | 97 Ų | 97 | 121.2 Ų | 121.2 | 51% | 0.508 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -63 | -42.8 | 174.6 | -96.5 | 106.9 | 0 | 0 | 0 | 112.3 | R158 Y159 R164 Q165 T166 | R158-L162 HydrophobicContact CG-CD1 4.35Å; R158-L162 VanDerWaalsContact O-CD1 3.31Å; R158-L162 WeakPolarHBondContact O-CD1 3.24Å; R158-L162 PolarHBondContact O-N 3.41Å; R158-L162 VanDerWaalsContact O-N 3.09Å; Y159-L162 PolarHBondContact O-N 2.86Å; L162-R164 VanDerWaalsContact C-N 3.32Å; L162-R164 PolarHBondContact O-N 2.95Å; L162-Q165 PolarHBondContact O-N 3.36Å; L162-T166 PolarHBondContact O-N 2.88Å; L162-T166 PolarHBondContact O-OG1 3.44Å |
| 163 | T | 50.7 | Low | 46.5 | Very low | 59 Ų | 59 | 120.9 Ų | 120.9 | 36% | 0.362 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.6 | -33.6 | 179.3 | -26.8 | 0 | 0 | 0 | 0 | 111.9 | Y159 T166 Q167 | Y159-T163 PolarHBondContact O-N 2.74Å; Y159-T163 PolarHBondContact O-OG1 3.45Å; T163-T166 WeakPolarHBondContact CA-OG1 3.37Å; T163-T166 PolarHBondContact O-OG1 3.19Å; T163-Q167 WeakPolarHBondContact O-CB 3.41Å; T163-Q167 VanDerWaalsContact O-CG 3.31Å; T163-Q167 WeakPolarHBondContact O-CG 3.48Å; T163-Q167 PolarHBondContact O-N 2.79Å |
| 164 | R | 43.8 | Very low | 45.7 | Very low | 178 Ų | 178 | 120.4 Ų | 120.4 | 67% | 0.672 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.8 | -31.2 | 174.7 | -79.8 | -178.1 | 172.5 | -136 | -1 | 113.4 | I160 W161 L162 | I160-R164 WeakPolarHBondContact O-CB 3.35Å; I160-R164 WeakPolarHBondContact O-CG 3.12Å; I160-R164 PolarHBondContact O-N 2.8Å; W161-R164 PolarHBondContact O-N 3.29Å; L162-R164 VanDerWaalsContact C-N 3.32Å; L162-R164 PolarHBondContact O-N 2.95Å |
| 165 | Q | 46.1 | Very low | 45.1 | Very low | 109 Ų | 109 | 126.4 Ų | 126.4 | 51% | 0.509 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -75.4 | -37.8 | 174.6 | -68.8 | -70.6 | -15.8 | 0 | 0 | 111.9 | W161 L162 S169 | W161-Q165 HydrophobicContact CD2-CG 4.26Å; W161-Q165 HydrophobicContact CE3-CG 4.25Å; W161-Q165 HydrophobicContact CH2-CG 4.27Å; W161-Q165 HydrophobicContact CZ2-CG 4.27Å; W161-Q165 HydrophobicContact CZ3-CG 4.25Å; W161-Q165 VanDerWaalsContact O-CG 3.32Å; W161-Q165 WeakPolarHBondContact O-CG 3.38Å; W161-Q165 PolarHBondContact O-N 3.28Å; W161-Q165 VanDerWaalsContact O-N 3.12Å; L162-Q165 PolarHBondContact O-N 3.36Å; Q165-S169 PolarHBondContact O-OG 3.48Å |
| 166 | T | 45.6 | Very low | 44.5 | Very low | 85 Ų | 85 | 127.7 Ų | 127.7 | 52% | 0.521 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -77.2 | -27.9 | 178.6 | 32 | 0 | 0 | 0 | 0 | 113.7 | L162 T163 S169 | L162-T166 PolarHBondContact O-N 2.88Å; L162-T166 PolarHBondContact O-OG1 3.44Å; T163-T166 WeakPolarHBondContact CA-OG1 3.37Å; T163-T166 PolarHBondContact O-OG1 3.19Å; T166-S169 PolarHBondContact O-OG 2.95Å |
| 167 | Q | 44.1 | Very low | 43.5 | Very low | 146 Ų | 146 | 133.8 Ų | 133.8 | 68% | 0.682 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -80.8 | -12.2 | 174.7 | -72.6 | -175 | 5.5 | 0 | 0 | 114.5 | T163 | T163-Q167 WeakPolarHBondContact O-CB 3.41Å; T163-Q167 VanDerWaalsContact O-CG 3.31Å; T163-Q167 WeakPolarHBondContact O-CG 3.48Å; T163-Q167 PolarHBondContact O-N 2.79Å |
| 168 | R | 43.7 | Very low | 43.1 | Very low | 226 Ų | 226 | 139.4 Ų | 139.4 | 85% | 0.853 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -98.4 | -9.4 | 177.4 | -78.8 | -175.7 | 167 | -167.8 | -4.2 | 114.1 | | |
| 169 | S | 38.3 | Very low | 42.5 | Very low | 81 Ų | 81 | 141 Ų | 141 | 57% | 0.566 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -103 | 0.4 | -174.7 | 42.4 | 0 | 0 | 0 | 0 | 114.2 | Q165 T166 | Q165-S169 PolarHBondContact O-OG 3.48Å; T166-S169 PolarHBondContact O-OG 2.95Å |
| 170 | T | 38.5 | Very low | 42.1 | Very low | 90 Ų | 90 | 136 Ų | 136 | 55% | 0.552 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -103.4 | 110.6 | 169.1 | 47.7 | 0 | 0 | 0 | 0 | 109.4 | V172 | T170-V172 PolarHBondContact O-N 3.01Š|
| 171 | P | 37.7 | Very low | 41.3 | Very low | 105 Ų | 105 | 142.5 Ų | 142.5 | 68% | 0.682 | 69% | 0.692 | S | S | * | * | | | trans | -63.9 | 108.5 | 164.7 | 27.3 | -29.8 | 0 | 0 | 0 | 106.3 | L173 | P171-L173 PolarHBondContact O-N 3.25Š|
| 172 | V | 36.7 | Very low | 41.2 | Very low | 113 Ų | 113 | 141 Ų | 141 | 69% | 0.685 | 70% | 0.695 | S | S | * | * | | | trans | -64.2 | 90.7 | 169.9 | 174.1 | 0 | 0 | 0 | 0 | 106.8 | T170 S174 | T170-V172 PolarHBondContact O-N 3.01Å; V172-S174 WeakPolarHBondContact CG1-OG 3.35Å; V172-S174 PolarHBondContact O-N 3.12Å |
| 173 | L | 39.9 | Very low | 41.1 | Very low | 152 Ų | 152 | 143.1 Ų | 143.1 | 80% | 0.796 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 40.2 | 177.2 | -87.3 | 162.6 | 0 | 0 | 0 | 112.4 | P171 | P171-L173 PolarHBondContact O-N 3.25Š|
| 174 | S | 35.5 | Very low | 41.2 | Very low | 95 Ų | 95 | 146.8 Ų | 146.8 | 66% | 0.664 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.9 | 17.8 | -172.3 | 64.2 | 0 | 0 | 0 | 0 | 116.9 | V172 | V172-S174 WeakPolarHBondContact CG1-OG 3.35Å; V172-S174 PolarHBondContact O-N 3.12Å |
| 175 | Q | 42.3 | Very low | 41.5 | Very low | 188 Ų | 188 | 145 Ų | 145 | 88% | 0.879 | 73% | 0.726 | S | S | * | * | | | trans | -123.3 | 18 | 171 | -113.4 | 175.8 | 12.5 | 0 | 0 | 115.5 | R177 | Q175-R177 PolarHBondContact O-N 3.43Š|
| 176 | E | 41.1 | Very low | 41.2 | Very low | 166 Ų | 166 | 143.9 Ų | 143.9 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | | | trans | -78.8 | 36.3 | 177.1 | -154.6 | 178 | 177.9 | 0 | 0 | 114 | | |
| 177 | R | 36.9 | Very low | 41.3 | Very low | 231 Ų | 231 | 146 Ų | 146 | 87% | 0.872 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -131.4 | 88.6 | 168.7 | -68.1 | -167.4 | -160.1 | -178.9 | 6.7 | 108.7 | Q175 | Q175-R177 PolarHBondContact O-N 3.43Š|
| 178 | Q | 43.1 | Very low | 41.3 | Very low | 180 Ų | 180 | 145 Ų | 145 | 84% | 0.841 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 164.1 | -2 | 141.7 | -92.2 | 165.9 | -21 | 0 | 0 | 116 | | |
| 179 | Y | 37.7 | Very low | 41.4 | Very low | 224 Ų | 224 | 145.6 Ų | 145.6 | 88% | 0.878 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -118.2 | 121.7 | 173.8 | -68.8 | -81.5 | 0 | 0 | 0 | 110.8 | | |
| 180 | G | 35.4 | Very low | 41.8 | Very low | 72 Ų | 72 | 145.2 Ų | 145.2 | 74% | 0.742 | 75% | 0.749 | S | S | * | * | | | trans | -57.1 | 142.8 | -162.1 | 0 | 0 | 0 | 0 | 0 | 115 | I182 | G180-I182 PolarHBondContact O-N 3.38Š|
| 181 | R | 37.3 | Very low | 41.7 | Very low | 231 Ų | 231 | 148 Ų | 148 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | | | trans | 24.1 | 83 | 158.9 | -80 | -176.7 | 165.6 | 169.2 | -4.7 | 114.1 | N183 | R181-N183 VanDerWaalsContact C-N 3.32Å; R181-N183 PolarHBondContact O-N 3.02Å |
| 182 | I | 45.5 | Very low | 41.9 | Very low | 133 Ų | 133 | 148.1 Ų | 148.1 | 68% | 0.682 | 76% | 0.759 | S | S | * | * | | | trans | -65.4 | 103.4 | 153.6 | -59.4 | 173.7 | 0 | 0 | 0 | 104.9 | G180 L184 | G180-I182 PolarHBondContact O-N 3.38Å; I182-L184 HydrophobicContact CG2-CD2 4.15Å; I182-L184 HydrophobicContact CG2-CG 4.49Å; I182-L184 PolarHBondContact O-N 3.4Å |
| 183 | N | 44.1 | Very low | 42.5 | Very low | 141 Ų | 141 | 148.8 Ų | 148.8 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | | | trans | -63.9 | 88 | 169.5 | -78.5 | -19.7 | 0 | 0 | 0 | 107.5 | R181 I185 | R181-N183 VanDerWaalsContact C-N 3.32Å; R181-N183 PolarHBondContact O-N 3.02Å; N183-I185 PolarHBondContact O-N 2.86Å |
| 184 | L | 51.9 | Low | 42.5 | Very low | 137 Ų | 137 | 146.6 Ų | 146.6 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | | | trans | -60.7 | 119.2 | 167.8 | -64.6 | 169.4 | 0 | 0 | 0 | 106.6 | I182 | I182-L184 HydrophobicContact CG2-CD2 4.15Å; I182-L184 HydrophobicContact CG2-CG 4.49Å; I182-L184 PolarHBondContact O-N 3.4Å |
| 185 | I | 49.5 | Very low | 42.9 | Very low | 141 Ų | 141 | 153.9 Ų | 153.9 | 72% | 0.723 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 78.2 | 97.1 | 170.7 | -47.9 | 155.9 | 0 | 0 | 0 | 112.7 | N183 T187 | N183-I185 PolarHBondContact O-N 2.86Å; I185-T187 PolarHBondContact O-N 3.41Å |
| 186 | S | 41.1 | Very low | 42.8 | Very low | 84 Ų | 84 | 156.3 Ų | 156.3 | 59% | 0.587 | 78% | 0.777 | S | S | * | * | | | trans | -50.3 | 121.9 | 157.8 | 169.3 | 0 | 0 | 0 | 0 | 108.9 | H188 | S186-H188 PolarHBondContact O-N 3.36Å; S186-H188 VanDerWaalsContact O-N 3.1Å; S186-H188 PolarHBondContact OG-N 3.3Å; S186-H188 VanDerWaalsContact OG-N 3.14Å |
| 187 | T | 47.4 | Very low | 42.6 | Very low | 131 Ų | 131 | 151.8 Ų | 151.8 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -63.4 | -4.5 | 171.2 | 43.7 | 0 | 0 | 0 | 0 | 113 | I185 R189 | I185-T187 PolarHBondContact O-N 3.41Å; T187-R189 PolarHBondContact O-N 3.46Å |
| 188 | H | 44.2 | Very low | 42.7 | Very low | 123 Ų | 123 | 149.7 Ų | 149.7 | 57% | 0.569 | 78% | 0.776 | S | S | * | * | | | trans | -96.1 | 67.5 | 175.1 | -65 | -80.9 | 0 | 0 | 0 | 111.1 | S186 G190 E191 | S186-H188 PolarHBondContact O-N 3.36Å; S186-H188 VanDerWaalsContact O-N 3.1Å; S186-H188 PolarHBondContact OG-N 3.3Å; S186-H188 VanDerWaalsContact OG-N 3.14Å; H188-G190 PolarHBondContact O-N 2.89Å; H188-E191 IonicContact CE1-OE2 3.55Å; H188-E191 IonicContact CG-OE2 3.39Å; H188-E191 IonicContact ND1-OE2 2.68Å; H188-E191 PolarHBondContact ND1-OE2 3.23Å |
| 189 | R | 44.6 | Very low | 42.3 | Very low | 239 Ų | 239 | 146.5 Ų | 146.5 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -73.2 | 103.2 | 158.4 | -89.5 | -174.9 | 171.8 | -179.8 | -1.1 | 108.2 | T187 | T187-R189 PolarHBondContact O-N 3.46Š|
| 190 | G | 46.9 | Very low | 42.3 | Very low | 73 Ų | 73 | 144.5 Ų | 144.5 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 110.1 | 9.4 | 157.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | H188 S192 | H188-G190 PolarHBondContact O-N 2.89Å; G190-S192 PolarHBondContact O-N 3.3Å |
| 191 | E | 37.4 | Very low | 42.2 | Very low | 148 Ų | 148 | 148.2 Ų | 148.2 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 117.3 | 172.9 | -74.6 | 179.2 | 153 | 0 | 0 | 110.9 | H188 | H188-E191 IonicContact CE1-OE2 3.55Å; H188-E191 IonicContact CG-OE2 3.39Å; H188-E191 IonicContact ND1-OE2 2.68Å; H188-E191 PolarHBondContact ND1-OE2 3.23Å |
| 192 | S | 41.6 | Very low | 42.2 | Very low | 108 Ų | 108 | 142 Ų | 142 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 140.2 | 174.3 | -59.3 | 0 | 0 | 0 | 0 | 109.5 | G190 S194 | G190-S192 PolarHBondContact O-N 3.3Å; S192-S194 PolarHBondContact O-N 3.08Å |
| 193 | P | 48.2 | Very low | 41.7 | Very low | 127 Ų | 127 | 142.9 Ų | 142.9 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 117.1 | -180 | -17.8 | 28.5 | 0 | 0 | 0 | 109.8 | R195 | P193-R195 PolarHBondContact O-N 2.81Å; P193-R195 VanDerWaalsContact O-N 3.14Å |
| 194 | S | 40.6 | Very low | 41.4 | Very low | 107 Ų | 107 | 140 Ų | 140 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | -60.9 | 115.5 | 175.9 | -177.2 | 0 | 0 | 0 | 0 | 109.4 | S192 R196 | S192-S194 PolarHBondContact O-N 3.08Å; S194-R196 VanDerWaalsContact C-N 3.25Å; S194-R196 PolarHBondContact O-N 3.36Å |
| 195 | R | 43.8 | Very low | 40.7 | Very low | 248 Ų | 248 | 144.9 Ų | 144.9 | 94% | 0.936 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -72.5 | 77.4 | 171.8 | -83.4 | -174 | 173.9 | -160 | -0.7 | 109.7 | P193 | P193-R195 PolarHBondContact O-N 2.81Å; P193-R195 VanDerWaalsContact O-N 3.14Å |
| 196 | R | 40.4 | Very low | 40.5 | Very low | 238 Ų | 238 | 141.8 Ų | 141.8 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | | | trans | -169.3 | 120.5 | 160.9 | -113.5 | 177.8 | -166.7 | -149.5 | 2.8 | 109.3 | S194 | S194-R196 VanDerWaalsContact C-N 3.25Å; S194-R196 PolarHBondContact O-N 3.36Å |
| 197 | G | 37.2 | Very low | 40.5 | Very low | 71 Ų | 71 | 145 Ų | 145 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | | | trans | 135.5 | 85.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 198 | Q | 38 | Very low | 40.5 | Very low | 188 Ų | 188 | 145 Ų | 145 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | | | trans | 63.1 | 118.5 | 137.1 | -56.9 | -161.6 | -13.7 | 0 | 0 | 119.7 | | |
| 199 | S | 34.6 | Very low | 40.5 | Very low | 113 Ų | 113 | 149.9 Ų | 149.9 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | | | trans | -53.8 | 122.4 | 158.6 | 46.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 200 | E | 37.6 | Very low | 40.4 | Very low | 182 Ų | 182 | 142.2 Ų | 142.2 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | | | trans | -124.8 | 105.1 | 147.7 | -73.8 | -173.4 | 178.3 | 0 | 0 | 108 | S202 | E200-S202 PolarHBondContact O-N 2.68Å; E200-S202 VanDerWaalsContact O-N 3.15Å |
| 201 | T | 33.5 | Very low | 40.2 | Very low | 150 Ų | 150 | 141.2 Ų | 141.2 | 92% | 0.92 | 78% | 0.779 | S | S | * | * | | | trans | -54.9 | 107.5 | 161.4 | 34.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 202 | S | 37.8 | Very low | 41 | Very low | 101 Ų | 101 | 140 Ų | 140 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | | | trans | -135.8 | 106 | 160.3 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | E200 A204 | E200-S202 PolarHBondContact O-N 2.68Å; E200-S202 VanDerWaalsContact O-N 3.15Å; S202-A204 PolarHBondContact O-N 2.98Å |
| 203 | T | 35 | Very low | 41.4 | Very low | 151 Ų | 151 | 139.6 Ų | 139.6 | 93% | 0.926 | 76% | 0.762 | S | S | * | * | | | trans | -60.5 | 76.6 | 164.9 | 44.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 204 | A | 38.8 | Very low | 41.7 | Very low | 80 Ų | 80 | 137.1 Ų | 137.1 | 66% | 0.661 | 74% | 0.741 | S | S | * | * | | | trans | -100.2 | 106 | 164.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | S202 A206 | S202-A204 PolarHBondContact O-N 2.98Å; A204-A206 PolarHBondContact O-N 2.94Å |
| 205 | R | 36.2 | Very low | 42.4 | Very low | 239 Ų | 239 | 135 Ų | 135 | 90% | 0.902 | 72% | 0.724 | S | S | * | * | | | trans | -43.8 | 104.3 | 159.5 | -85.9 | 173.5 | 161.7 | 147.6 | -6 | 108 | E207 | R205-E207 PolarHBondContact O-N 2.94Š|
| 206 | A | 45.4 | Very low | 43 | Very low | 77 Ų | 77 | 127 Ų | 127 | 64% | 0.636 | 70% | 0.697 | S | S | * | * | | | trans | -71.7 | 87.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | A204 H208 | A204-A206 PolarHBondContact O-N 2.94Å; A206-H208 VanDerWaalsContact C-N 3.34Å; A206-H208 PolarHBondContact O-CD2 3.09Å; A206-H208 VanDerWaalsContact O-CD2 3.22Å; A206-H208 PolarHBondContact O-N 3.21Å |
| 207 | E | 41.9 | Very low | 43.8 | Very low | 151 Ų | 151 | 123.4 Ų | 123.4 | 71% | 0.706 | 69% | 0.692 | S | S | * | * | | | trans | -56.2 | 103.3 | 159 | -73.9 | -174.9 | 167.7 | 0 | 0 | 107.1 | R205 R209 | R205-E207 PolarHBondContact O-N 2.94Å; E207-R209 PolarHBondContact O-N 3.31Å |
| 208 | H | 47.5 | Very low | 44.7 | Very low | 132 Ų | 132 | 123.2 Ų | 123.2 | 61% | 0.611 | 68% | 0.675 | S | S | * | * | | | trans | -70.8 | 71 | 173 | -76.5 | -94.1 | 0 | 0 | 0 | 109.6 | A206 G210 N214 | A206-H208 VanDerWaalsContact C-N 3.34Å; A206-H208 PolarHBondContact O-CD2 3.09Å; A206-H208 VanDerWaalsContact O-CD2 3.22Å; A206-H208 PolarHBondContact O-N 3.21Å; H208-G210 PolarHBondContact O-N 2.74Å; H208-N214 PolarHBondContact ND1-OD1 3.47Å |
| 209 | R | 42.9 | Very low | 45.4 | Very low | 224 Ų | 224 | 119.9 Ų | 119.9 | 85% | 0.845 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -86.3 | 87.2 | 165.6 | -85 | -174.1 | 170.5 | -152.5 | -0.4 | 108.6 | E207 G211 | E207-R209 PolarHBondContact O-N 3.31Å; R209-G211 PolarHBondContact O-N 3.03Å |
| 210 | G | 43.1 | Very low | 46.6 | Very low | 78 Ų | 78 | 118.4 Ų | 118.4 | 80% | 0.804 | 67% | 0.674 | S | S | * | * | S | Bend | trans | 78.5 | 17.1 | 159.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | H208 | H208-G210 PolarHBondContact O-N 2.74Š|
| 211 | G | 42.4 | Very low | 47.7 | Very low | 52 Ų | 52 | 115.9 Ų | 115.9 | 54% | 0.536 | 67% | 0.671 | S | S | . | * | | | trans | -78.6 | 127.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R209 F213 | R209-G211 PolarHBondContact O-N 3.03Å; G211-F213 PolarHBondContact O-N 3.03Å |
| 212 | L | 54.8 | Low | 48.9 | Very low | 123 Ų | 123 | 115.7 Ų | 115.7 | 64% | 0.644 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -58.7 | -7.3 | -179.8 | -98.6 | 107.9 | 0 | 0 | 0 | 115.7 | | |
| 213 | F | 49.8 | Very low | 50 | Low | 100 Ų | 100 | 114.8 Ų | 114.8 | 44% | 0.439 | 66% | 0.657 | S | S | . | * | | | trans | -137.4 | 121.8 | -172.1 | -53.7 | -83.5 | 0 | 0 | 0 | 111.2 | G211 I228 | G211-F213 PolarHBondContact O-N 3.03Å; F213-I228 HydrophobicContact CD1-CG1 4.47Å; F213-I228 HydrophobicContact CE1-CB 4.01Å; F213-I228 HydrophobicContact CE1-CG1 4.06Å; F213-I228 HydrophobicContact CE1-CG2 3.86Å |
| 214 | N | 54.5 | Low | 51.5 | Low | 74 Ų | 74 | 111 Ų | 111 | 40% | 0.396 | 64% | 0.635 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.4 | 121 | 166.4 | -75.6 | -20.7 | 0 | 0 | 0 | 108.7 | H208 | H208-N214 PolarHBondContact ND1-OD1 3.47Å |
| 215 | V | 54.7 | Low | 52.6 | Low | 63 Ų | 63 | 112.1 Ų | 112.1 | 38% | 0.382 | 62% | 0.623 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.5 | 111.8 | 171.2 | -177.7 | 0 | 0 | 0 | 0 | 107.7 | M217 Y226 | V215-M217 HydrophobicContact CG1-CE 4.22Å; V215-Y226 HydrophobicContact CG2-CD1 3.94Å; V215-Y226 HydrophobicContact CG2-CE1 3.68Å |
| 216 | H | 57.4 | Low | 54.1 | Low | 81 Ų | 81 | 108.1 Ų | 108.1 | 38% | 0.375 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.4 | 105.2 | 171.9 | -81.5 | -17.8 | 0 | 0 | 0 | 110.3 | N218 Y225 | H216-N218 PolarHBondContact O-N 3.16Å; H216-Y225 HydrophobicContact CB-CE1 4.16Å |
| 217 | M | 56.9 | Low | 55 | Low | 162 Ų | 162 | 105.2 Ų | 105.2 | 80% | 0.798 | 58% | 0.582 | S | S | * | * | | | trans | -75 | 92 | 166.2 | -65.1 | -77.7 | 179.1 | 0 | 0 | 107.9 | V215 | V215-M217 HydrophobicContact CG1-CE 4.22Š|
| 218 | N | 55.1 | Low | 56.2 | Low | 67 Ų | 67 | 102 Ų | 102 | 36% | 0.358 | 57% | 0.569 | S | S | . | * | | | trans | -75.2 | 134.1 | 172.1 | -85.7 | -12 | 0 | 0 | 0 | 110.1 | H216 G220 K222 | H216-N218 PolarHBondContact O-N 3.16Å; N218-G220 PolarHBondContact O-N 2.99Å; N218-G220 VanDerWaalsContact O-N 3.1Å; N218-K222 HydrophobicContact CB-CB 4.33Å |
| 219 | S | 53.6 | Low | 56.7 | Low | 117 Ų | 117 | 99 Ų | 99 | 82% | 0.818 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -59.4 | 110.5 | 174.6 | 43.8 | 0 | 0 | 0 | 0 | 111.3 | T221 | S219-T221 PolarHBondContact O-N 3.41Å; S219-T221 VanDerWaalsContact O-N 3.11Å |
| 220 | G | 59 | Low | 57.5 | Low | 82 Ų | 82 | 92.7 Ų | 92.7 | 85% | 0.845 | 54% | 0.543 | S | S | * | . | S | Bend | trans | 84.1 | -25.3 | 148.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | N218 | N218-G220 PolarHBondContact O-N 2.99Å; N218-G220 VanDerWaalsContact O-N 3.1Å |
| 221 | T | 61.8 | Low | 58.4 | Low | 129 Ų | 129 | 94 Ų | 94 | 79% | 0.791 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -135.1 | -7.5 | -170.7 | 56.4 | 0 | 0 | 0 | 0 | 116.6 | S219 | S219-T221 PolarHBondContact O-N 3.41Å; S219-T221 VanDerWaalsContact O-N 3.11Å |
| 222 | K | 58 | Low | 59.4 | Low | 146 Ų | 146 | 98 Ų | 98 | 64% | 0.635 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -126.9 | 137.2 | -176.1 | -66.8 | 179.6 | -177.9 | 176.4 | 0 | 110.1 | N218 | N218-K222 HydrophobicContact CB-CB 4.33Š|
| 223 | A | 60.4 | Low | 59.6 | Low | 82 Ų | 82 | 95.8 Ų | 95.8 | 68% | 0.678 | 52% | 0.516 | S | S | * | . | | | trans | -57.8 | 142.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y225 | A223-Y225 PolarHBondContact O-N 3.12Š|
| 224 | P | 67.6 | Low | 60 | Low | 73 Ų | 73 | 94 Ų | 94 | 47% | 0.474 | 52% | 0.516 | S | S | . | . | | | trans | -57.7 | 136.4 | 173.8 | 25.2 | -33 | 0 | 0 | 0 | 109.1 | | |
| 225 | Y | 61.3 | Low | 60 | Low | 103 Ų | 103 | 96.3 Ų | 96.3 | 40% | 0.404 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 146.2 | 175.2 | 64.5 | -84.4 | 0 | 0 | 0 | 110 | H216 A223 I227 | H216-Y225 HydrophobicContact CB-CE1 4.16Å; A223-Y225 PolarHBondContact O-N 3.12Å; Y225-I227 HydrophobicContact CD2-CD1 4.27Å; Y225-I227 HydrophobicContact CD2-CG1 4.08Å; Y225-I227 HydrophobicContact CE2-CD1 3.67Å; Y225-I227 HydrophobicContact CE2-CG1 3.85Å |
| 226 | Y | 68.6 | Low | 60 | Low | 155 Ų | 155 | 97 Ų | 97 | 61% | 0.608 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 129.2 | 177.9 | -60.4 | -89.1 | 0 | 0 | 0 | 108.8 | V215 | V215-Y226 HydrophobicContact CG2-CD1 3.94Å; V215-Y226 HydrophobicContact CG2-CE1 3.68Å |
| 227 | I | 63.7 | Low | 60 | Low | 16 Ų | 16 | 98.6 Ų | 98.6 | 8% | 0.082 | 54% | 0.538 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 110.5 | 169.2 | -65.1 | 137.1 | 0 | 0 | 0 | 107 | Y225 H229 L233 | Y225-I227 HydrophobicContact CD2-CD1 4.27Å; Y225-I227 HydrophobicContact CD2-CG1 4.08Å; Y225-I227 HydrophobicContact CE2-CD1 3.67Å; Y225-I227 HydrophobicContact CE2-CG1 3.85Å; I227-H229 WeakPolarHBondContact CG2-O 3.3Å; I227-L233 HydrophobicContact CB-CD1 4.4Å; I227-L233 HydrophobicContact CD1-CD1 3.44Å; I227-L233 VanDerWaalsContact CD1-CD1 3.44Å; I227-L233 HydrophobicContact CD1-CD2 4.25Å; I227-L233 HydrophobicContact CD1-CG 4.2Å; I227-L233 HydrophobicContact CG1-CD1 3.83Å; I227-L233 HydrophobicContact CG1-CD2 4.02Å; I227-L233 HydrophobicContact CG1-CG 4.05Å; I227-L233 HydrophobicContact CG2-CD1 3.9Å; I227-L233 HydrophobicContact CG2-CG 3.83Å |
| 228 | I | 66.2 | Low | 59.9 | Low | 83 Ų | 83 | 94 Ų | 94 | 43% | 0.426 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -75.1 | -36 | -177.6 | -56.9 | 177.6 | 0 | 0 | 0 | 111.1 | F213 W232 | F213-I228 HydrophobicContact CD1-CG1 4.47Å; F213-I228 HydrophobicContact CE1-CB 4.01Å; F213-I228 HydrophobicContact CE1-CG1 4.06Å; F213-I228 HydrophobicContact CE1-CG2 3.86Å; I228-W232 HydrophobicContact CB-CZ3 4.22Å; I228-W232 HydrophobicContact CD1-CZ3 4.47Å |
| 229 | H | 59 | Low | 59.7 | Low | 70 Ų | 70 | 94.1 Ų | 94.1 | 32% | 0.324 | 52% | 0.519 | S | S | . | . | | | trans | -134 | 119.7 | 178.5 | -86.5 | -92.1 | 0 | 0 | 0 | 109.4 | I227 E231 W232 | I227-H229 WeakPolarHBondContact CG2-O 3.3Å; H229-E231 HydrophobicContact CB-CG 4.09Å; H229-E231 IonicContact CE1-OE1 3.54Å; H229-E231 IonicContact CG-OE1 3.82Å; H229-E231 IonicContact ND1-OE1 2.83Å; H229-E231 PolarHBondContact ND1-OE1 3.26Å; H229-E231 PolarHBondContact O-N 3.02Å; H229-W232 HydrophobicContact CB-CD2 3.77Å; H229-W232 HydrophobicContact CB-CG 3.74Å; H229-W232 HydrophobicContact CB-CZ2 4.41Å; H229-W232 AromaticContact CD2-CZ2 3.98Å; H229-W232 WeakPolarHBondContact O-CB 3.38Å; H229-W232 PolarHBondContact O-N 3.46Å |
| 230 | P | 60.5 | Low | 59.8 | Low | 90 Ų | 90 | 98.9 Ų | 98.9 | 58% | 0.584 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.4 | -26.2 | 178.5 | 24.6 | -32.9 | 0 | 0 | 0 | 111.8 | W232 L233 S234 | P230-W232 PolarHBondContact O-N 3.27Å; P230-L233 PolarHBondContact O-N 3.47Å; P230-S234 PolarHBondContact O-N 3.5Å |
| 231 | E | 61 | Low | 59.6 | Low | 105 Ų | 105 | 101.4 Ų | 101.4 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.3 | -25.9 | 176.3 | 69.1 | -133.7 | 168.1 | 0 | 0 | 113.4 | H229 L233 S234 E235 | H229-E231 HydrophobicContact CB-CG 4.09Å; H229-E231 IonicContact CE1-OE1 3.54Å; H229-E231 IonicContact CG-OE1 3.82Å; H229-E231 IonicContact ND1-OE1 2.83Å; H229-E231 PolarHBondContact ND1-OE1 3.26Å; H229-E231 PolarHBondContact O-N 3.02Å; E231-L233 VanDerWaalsContact C-N 3.29Å; E231-L233 PolarHBondContact O-N 2.87Å; E231-S234 WeakPolarHBondContact CA-OG 3.3Å; E231-S234 PolarHBondContact O-N 3.22Å; E231-S234 PolarHBondContact O-OG 3.4Å; E231-E235 WeakPolarHBondContact O-CB 3.32Å; E231-E235 PolarHBondContact O-N 3.15Å |
| 232 | W | 63.9 | Low | 59.4 | Low | 137 Ų | 137 | 100.8 Ų | 100.8 | 52% | 0.519 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.6 | -28.5 | 176.8 | -62.9 | -1 | 0 | 0 | 0 | 112.1 | I228 H229 P230 T236 | I228-W232 HydrophobicContact CB-CZ3 4.22Å; I228-W232 HydrophobicContact CD1-CZ3 4.47Å; H229-W232 HydrophobicContact CB-CD2 3.77Å; H229-W232 HydrophobicContact CB-CG 3.74Å; H229-W232 HydrophobicContact CB-CZ2 4.41Å; H229-W232 AromaticContact CD2-CZ2 3.98Å; H229-W232 WeakPolarHBondContact O-CB 3.38Å; H229-W232 PolarHBondContact O-N 3.46Å; P230-W232 PolarHBondContact O-N 3.27Å; W232-T236 PolarHBondContact O-N 3.08Å; W232-T236 PolarHBondContact O-OG1 3.05Å |
| 233 | L | 59.3 | Low | 58.8 | Low | 77 Ų | 77 | 96.9 Ų | 96.9 | 40% | 0.403 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -73.9 | -40.5 | 170.5 | -65.9 | -178.1 | 0 | 0 | 0 | 111.5 | I227 P230 E231 E235 T236 M237 | I227-L233 HydrophobicContact CB-CD1 4.4Å; I227-L233 HydrophobicContact CD1-CD1 3.44Å; I227-L233 VanDerWaalsContact CD1-CD1 3.44Å; I227-L233 HydrophobicContact CD1-CD2 4.25Å; I227-L233 HydrophobicContact CD1-CG 4.2Å; I227-L233 HydrophobicContact CG1-CD1 3.83Å; I227-L233 HydrophobicContact CG1-CD2 4.02Å; I227-L233 HydrophobicContact CG1-CG 4.05Å; I227-L233 HydrophobicContact CG2-CD1 3.9Å; I227-L233 HydrophobicContact CG2-CG 3.83Å; P230-L233 PolarHBondContact O-N 3.47Å; E231-L233 VanDerWaalsContact C-N 3.29Å; E231-L233 PolarHBondContact O-N 2.87Å; L233-E235 VanDerWaalsContact C-N 3.32Å; L233-E235 PolarHBondContact O-N 3.05Å; L233-T236 WeakPolarHBondContact CA-OG1 3.47Å; L233-T236 PolarHBondContact O-N 2.86Å; L233-T236 PolarHBondContact O-OG1 3.35Å; L233-T236 VanDerWaalsContact O-OG1 3.08Å; L233-M237 WeakPolarHBondContact O-CB 3.41Å; L233-M237 PolarHBondContact O-N 3.33Å |
| 234 | S | 56.6 | Low | 58.4 | Low | 63 Ų | 63 | 97.8 Ų | 97.8 | 44% | 0.441 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 177.3 | 54.1 | 0 | 0 | 0 | 0 | 111.1 | P230 E231 T236 M237 T238 | P230-S234 PolarHBondContact O-N 3.5Å; E231-S234 WeakPolarHBondContact CA-OG 3.3Å; E231-S234 PolarHBondContact O-N 3.22Å; E231-S234 PolarHBondContact O-OG 3.4Å; S234-T236 PolarHBondContact O-N 3.44Å; S234-M237 PolarHBondContact O-N 3.26Å; S234-T238 VanDerWaalsContact O-CB 3.24Å; S234-T238 WeakPolarHBondContact O-CB 3.31Å; S234-T238 PolarHBondContact O-N 3.19Å; S234-T238 PolarHBondContact O-OG1 2.82Å |
| 235 | E | 55 | Low | 57.5 | Low | 122 Ų | 122 | 99.1 Ų | 99.1 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.3 | -42.2 | 179.6 | -163.7 | 170.7 | -164.5 | 0 | 0 | 111.4 | E231 L233 M237 T238 I239 | E231-E235 WeakPolarHBondContact O-CB 3.32Å; E231-E235 PolarHBondContact O-N 3.15Å; L233-E235 VanDerWaalsContact C-N 3.32Å; L233-E235 PolarHBondContact O-N 3.05Å; E235-M237 PolarHBondContact O-N 3.16Å; E235-T238 PolarHBondContact O-N 2.83Å; E235-I239 HydrophobicContact CG-CD1 4.05Å; E235-I239 WeakPolarHBondContact O-CB 3.38Å; E235-I239 WeakPolarHBondContact O-CD1 2.92Å; E235-I239 WeakPolarHBondContact O-CG1 3.44Å; E235-I239 PolarHBondContact O-N 3.24Å |
| 236 | T | 55.8 | Low | 57.3 | Low | 77 Ų | 77 | 99.9 Ų | 99.9 | 47% | 0.472 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.8 | -32.5 | 175.3 | 44.6 | 0 | 0 | 0 | 0 | 113.5 | W232 L233 S234 R240 | W232-T236 PolarHBondContact O-N 3.08Å; W232-T236 PolarHBondContact O-OG1 3.05Å; L233-T236 WeakPolarHBondContact CA-OG1 3.47Å; L233-T236 PolarHBondContact O-N 2.86Å; L233-T236 PolarHBondContact O-OG1 3.35Å; L233-T236 VanDerWaalsContact O-OG1 3.08Å; S234-T236 PolarHBondContact O-N 3.44Å; T236-R240 WeakPolarHBondContact O-CG 3.5Å; T236-R240 PolarHBondContact O-N 2.87Å |
| 237 | M | 56.6 | Low | 56.7 | Low | 115 Ų | 115 | 103.2 Ų | 103.2 | 57% | 0.567 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -73.1 | -41.8 | 174.1 | -170.1 | 169.1 | -173.2 | 0 | 0 | 111.7 | L233 S234 E235 R240 Q241 | L233-M237 WeakPolarHBondContact O-CB 3.41Å; L233-M237 PolarHBondContact O-N 3.33Å; S234-M237 PolarHBondContact O-N 3.26Å; E235-M237 PolarHBondContact O-N 3.16Å; M237-R240 PolarHBondContact O-N 3.05Å; M237-Q241 WeakPolarHBondContact O-CG 3.22Å; M237-Q241 PolarHBondContact O-N 3.07Å |
| 238 | T | 54.1 | Low | 56.1 | Low | 66 Ų | 66 | 108 Ų | 108 | 41% | 0.405 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.6 | -41.5 | 176.8 | -61.7 | 0 | 0 | 0 | 0 | 111.5 | S234 E235 R240 Q241 L242 | S234-T238 VanDerWaalsContact O-CB 3.24Å; S234-T238 WeakPolarHBondContact O-CB 3.31Å; S234-T238 PolarHBondContact O-N 3.19Å; S234-T238 PolarHBondContact O-OG1 2.82Å; E235-T238 PolarHBondContact O-N 2.83Å; T238-R240 VanDerWaalsContact C-N 3.29Å; T238-R240 PolarHBondContact O-N 3.09Å; T238-Q241 PolarHBondContact O-N 2.73Å; T238-L242 HydrophobicContact CG2-CD1 3.51Å; T238-L242 HydrophobicContact CG2-CG 3.99Å; T238-L242 WeakPolarHBondContact O-CB 3.49Å; T238-L242 VanDerWaalsContact O-CG 3.3Å; T238-L242 WeakPolarHBondContact O-CG 3.46Å; T238-L242 PolarHBondContact O-N 2.89Å |
| 239 | I | 51 | Low | 55.5 | Low | 69 Ų | 69 | 109.8 Ų | 109.8 | 35% | 0.354 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -58.5 | -42 | 174.2 | -71 | 163.2 | 0 | 0 | 0 | 110.8 | E235 L244 | E235-I239 HydrophobicContact CG-CD1 4.05Å; E235-I239 WeakPolarHBondContact O-CB 3.38Å; E235-I239 WeakPolarHBondContact O-CD1 2.92Å; E235-I239 WeakPolarHBondContact O-CG1 3.44Å; E235-I239 PolarHBondContact O-N 3.24Å; I239-L244 HydrophobicContact CG2-CB 4.29Å; I239-L244 WeakPolarHBondContact CG2-O 3.1Å; I239-L244 PolarHBondContact O-N 3.14Å |
| 240 | R | 55.7 | Low | 55.1 | Low | 216 Ų | 216 | 111.9 Ų | 111.9 | 82% | 0.815 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68 | -40.2 | 176.7 | -72.6 | 178.8 | -177.6 | -167.6 | 1.5 | 113 | T236 M237 T238 | T236-R240 WeakPolarHBondContact O-CG 3.5Å; T236-R240 PolarHBondContact O-N 2.87Å; M237-R240 PolarHBondContact O-N 3.05Å; T238-R240 VanDerWaalsContact C-N 3.29Å; T238-R240 PolarHBondContact O-N 3.09Å |
| 241 | Q | 55.6 | Low | 54.8 | Low | 136 Ų | 136 | 114.7 Ų | 114.7 | 64% | 0.636 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -74.5 | -34 | -178.2 | -75.7 | 178.7 | -8.6 | 0 | 0 | 113.3 | M237 T238 G243 | M237-Q241 WeakPolarHBondContact O-CG 3.22Å; M237-Q241 PolarHBondContact O-N 3.07Å; T238-Q241 PolarHBondContact O-N 2.73Å; Q241-G243 PolarHBondContact O-N 2.84Å |
| 242 | L | 57.8 | Low | 54.2 | Low | 115 Ų | 115 | 115 Ų | 115 | 60% | 0.602 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 1.9 | 178.6 | -67.2 | 177.5 | 0 | 0 | 0 | 113.2 | T238 L244 | T238-L242 HydrophobicContact CG2-CD1 3.51Å; T238-L242 HydrophobicContact CG2-CG 3.99Å; T238-L242 WeakPolarHBondContact O-CB 3.49Å; T238-L242 VanDerWaalsContact O-CG 3.3Å; T238-L242 WeakPolarHBondContact O-CG 3.46Å; T238-L242 PolarHBondContact O-N 2.89Å; L242-L244 HydrophobicContact CB-CD1 4.05Å; L242-L244 HydrophobicContact CB-CG 3.78Å; L242-L244 HydrophobicContact CD1-CD1 4.02Å; L242-L244 PolarHBondContact O-N 3.08Å |
| 243 | G | 45.5 | Very low | 53.5 | Low | 64 Ų | 64 | 115.2 Ų | 115.2 | 66% | 0.66 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 59.2 | 19.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q241 S245 | Q241-G243 PolarHBondContact O-N 2.84Å; G243-S245 VanDerWaalsContact C-N 3.29Å; G243-S245 PolarHBondContact O-N 3.06Å |
| 244 | L | 51.9 | Low | 52.7 | Low | 102 Ų | 102 | 117.5 Ų | 117.5 | 53% | 0.534 | 65% | 0.648 | S | S | . | * | | | trans | -69.9 | 97 | 174 | -63.7 | 177 | 0 | 0 | 0 | 105.4 | I239 L242 | I239-L244 HydrophobicContact CG2-CB 4.29Å; I239-L244 WeakPolarHBondContact CG2-O 3.1Å; I239-L244 PolarHBondContact O-N 3.14Å; L242-L244 HydrophobicContact CB-CD1 4.05Å; L242-L244 HydrophobicContact CB-CG 3.78Å; L242-L244 HydrophobicContact CD1-CD1 4.02Å; L242-L244 PolarHBondContact O-N 3.08Å |
| 245 | S | 48.1 | Very low | 51.9 | Low | 101 Ų | 101 | 121.1 Ų | 121.1 | 71% | 0.706 | 66% | 0.663 | S | S | * | * | | | trans | -37.9 | 136.6 | -177.2 | 19.8 | 0 | 0 | 0 | 0 | 110.9 | G243 R247 | G243-S245 VanDerWaalsContact C-N 3.29Å; G243-S245 PolarHBondContact O-N 3.06Å; S245-R247 PolarHBondContact O-N 2.78Å; S245-R247 VanDerWaalsContact O-N 3.16Å |
| 246 | P | 57.3 | Low | 51 | Low | 118 Ų | 118 | 118.5 Ų | 118.5 | 77% | 0.766 | 67% | 0.668 | S | S | * | * | | | trans | -49.3 | 129.5 | 178.6 | 19.9 | -30.3 | 0 | 0 | 0 | 108.6 | | |
| 247 | R | 56.1 | Low | 50.2 | Low | 225 Ų | 225 | 121.6 Ų | 121.6 | 85% | 0.849 | 68% | 0.681 | S | S | * | * | | | trans | -33.7 | 124.2 | 177.3 | -178.1 | 177.8 | -176.1 | 166.3 | 1.4 | 108.9 | S245 T249 | S245-R247 PolarHBondContact O-N 2.78Å; S245-R247 VanDerWaalsContact O-N 3.16Å; R247-T249 PolarHBondContact O-N 2.77Å |
| 248 | P | 52.3 | Low | 49.4 | Very low | 117 Ų | 117 | 121.9 Ų | 121.9 | 76% | 0.76 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 116.5 | -174.7 | 16.2 | -28.9 | 0 | 0 | 0 | 108.7 | | |
| 249 | T | 52.7 | Low | 49 | Very low | 121 Ų | 121 | 125.3 Ų | 125.3 | 74% | 0.742 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 126.2 | 177.1 | -46.1 | 0 | 0 | 0 | 0 | 107 | R247 L251 | R247-T249 PolarHBondContact O-N 2.77Å; T249-L251 PolarHBondContact O-N 3.36Å |
| 250 | P | 51 | Low | 48.7 | Very low | 113 Ų | 113 | 129 Ų | 129 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 123.2 | 176.8 | 20 | -29 | 0 | 0 | 0 | 108 | | |
| 251 | L | 53.6 | Low | 48.2 | Very low | 150 Ų | 150 | 125.7 Ų | 125.7 | 79% | 0.785 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 141 | 175.2 | -73 | 164.4 | 0 | 0 | 0 | 108.3 | T249 I253 | T249-L251 PolarHBondContact O-N 3.36Å; L251-I253 PolarHBondContact O-N 2.87Å |
| 252 | P | 48 | Very low | 47.7 | Very low | 111 Ų | 111 | 124.1 Ų | 124.1 | 72% | 0.721 | 73% | 0.725 | S | S | * | * | | | trans | -53.4 | 113.1 | 177 | 22.4 | -31.7 | 0 | 0 | 0 | 107.9 | T254 | P252-T254 VanDerWaalsContact C-N 3.26Å; P252-T254 PolarHBondContact O-N 3.34Å |
| 253 | I | 49.4 | Very low | 46.9 | Very low | 141 Ų | 141 | 126 Ų | 126 | 72% | 0.723 | 74% | 0.736 | S | S | * | * | | | trans | -65.5 | 100.5 | 170.3 | -48.9 | 171.7 | 0 | 0 | 0 | 103.1 | L251 N255 | L251-I253 PolarHBondContact O-N 2.87Å; I253-N255 WeakPolarHBondContact CG2-OD1 3.38Å; I253-N255 PolarHBondContact O-N 2.78Å |
| 254 | T | 42.8 | Very low | 47 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 77% | 0.767 | 74% | 0.74 | S | S | * | * | | | trans | -64.8 | 91.3 | 168.6 | 54 | 0 | 0 | 0 | 0 | 105.3 | P252 G256 | P252-T254 VanDerWaalsContact C-N 3.26Å; P252-T254 PolarHBondContact O-N 3.34Å; T254-G256 PolarHBondContact O-N 3.23Å |
| 255 | N | 40.6 | Very low | 46.3 | Very low | 140 Ų | 140 | 137.7 Ų | 137.7 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | | | trans | -67 | 67.8 | 155.9 | -71.9 | -9.5 | 0 | 0 | 0 | 106.4 | I253 L257 | I253-N255 WeakPolarHBondContact CG2-OD1 3.38Å; I253-N255 PolarHBondContact O-N 2.78Å; N255-L257 PolarHBondContact O-N 3.07Å |
| 256 | G | 34.9 | Very low | 45.9 | Very low | 66 Ų | 66 | 136.3 Ų | 136.3 | 68% | 0.68 | 75% | 0.748 | S | S | * | * | | | trans | -80.8 | 53 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | T254 N258 | T254-G256 PolarHBondContact O-N 3.23Å; G256-N258 PolarHBondContact O-N 2.98Å; G256-N258 VanDerWaalsContact O-N 3.08Å |
| 257 | L | 39.1 | Very low | 45.1 | Very low | 143 Ų | 143 | 139 Ų | 139 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | | | trans | -73.9 | 88.3 | 156.7 | -78.5 | 170.4 | 0 | 0 | 0 | 106 | N255 | N255-L257 PolarHBondContact O-N 3.07Š|
| 258 | N | 39.8 | Very low | 44.5 | Very low | 120 Ų | 120 | 134 Ų | 134 | 64% | 0.642 | 75% | 0.745 | S | S | * | * | | | trans | -138.1 | 68.9 | 160.4 | -121.5 | -8.1 | 0 | 0 | 0 | 107.3 | G256 N260 | G256-N258 PolarHBondContact O-N 2.98Å; G256-N258 VanDerWaalsContact O-N 3.08Å; N258-N260 PolarHBondContact O-N 2.83Å |
| 259 | D | 46.6 | Very low | 44.1 | Very low | 139 Ų | 139 | 134.6 Ų | 134.6 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 27.2 | 173.1 | -70.1 | -36.9 | 0 | 0 | 0 | 113.3 | | |
| 260 | N | 44.7 | Very low | 43.6 | Very low | 146 Ų | 146 | 136.2 Ų | 136.2 | 78% | 0.781 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.9 | 21 | -176.7 | -74.5 | -37.3 | 0 | 0 | 0 | 114 | N258 | N258-N260 PolarHBondContact O-N 2.83Š|
| 261 | Q | 43.8 | Very low | 43.2 | Very low | 147 Ų | 147 | 136.3 Ų | 136.3 | 69% | 0.687 | 75% | 0.754 | S | S | * | * | | | trans | -106.1 | 21.8 | 170.1 | -79 | -148.1 | 34.2 | 0 | 0 | 115 | N263 | Q261-N263 PolarHBondContact O-N 3.27Š|
| 262 | A | 45.6 | Very low | 42.5 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 85% | 0.851 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -70 | 15.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 263 | N | 41.4 | Very low | 42 | Very low | 154 Ų | 154 | 137 Ų | 137 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | | | trans | -153.9 | 57 | -173.4 | -137.9 | -4.8 | 0 | 0 | 0 | 114.5 | Q261 | Q261-N263 PolarHBondContact O-N 3.27Š|
| 264 | K | 46.5 | Very low | 41.4 | Very low | 174 Ų | 174 | 136.1 Ų | 136.1 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | | | trans | -140.2 | 106.2 | 155.6 | -67.8 | -173.2 | -179.4 | 176.7 | 0 | 107 | | |
| 265 | R | 38.5 | Very low | 41.1 | Very low | 237 Ų | 237 | 133.7 Ų | 133.7 | 89% | 0.894 | 76% | 0.762 | S | S | * | * | | | | 43.3 | 125 | 97.6 | -103.8 | -175.9 | 168.8 | 173.7 | -3.4 | 111.1 | | |
| 266 | S | 39.8 | Very low | 41.1 | Very low | 73 Ų | 73 | 132.7 Ų | 132.7 | 51% | 0.51 | 77% | 0.766 | S | S | . | * | | | cis | 161.5 | 141.9 | 4.7 | 36.5 | 0 | 0 | 0 | 0 | 103.5 | | |
| 267 | H | 39.2 | Very low | 41.4 | Very low | 174 Ų | 174 | 134.1 Ų | 134.1 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | | | trans | 71.6 | 121.5 | 174.2 | -41.1 | -66.9 | 0 | 0 | 0 | 112.7 | | |
| 268 | T | 43.5 | Very low | 41.4 | Very low | 121 Ų | 121 | 136.6 Ų | 136.6 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | | | | -161.1 | 127.4 | 74.5 | 43.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 269 | T | 44.8 | Very low | 41.5 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | | | trans | 56.4 | 91.7 | 141.2 | 61.2 | 0 | 0 | 0 | 0 | 119.3 | S271 | T269-S271 PolarHBondContact O-N 3.38Š|
| 270 | N | 42.6 | Very low | 41.4 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | | | trans | -62.4 | 126.6 | 146.1 | -71.9 | -26.2 | 0 | 0 | 0 | 108.5 | I272 | N270-I272 PolarHBondContact O-N 3.21Š|
| 271 | S | 41.2 | Very low | 40.9 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | -60.6 | 102.3 | 173.9 | 52.7 | 0 | 0 | 0 | 0 | 110.1 | T269 C273 | T269-S271 PolarHBondContact O-N 3.38Å; S271-C273 PolarHBondContact O-N 3.23Å |
| 272 | I | 40.6 | Very low | 40.5 | Very low | 156 Ų | 156 | 141.8 Ų | 141.8 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | | | trans | -75.5 | 109.3 | 166.5 | -65.6 | 167.6 | 0 | 0 | 0 | 106.3 | N270 P274 | N270-I272 PolarHBondContact O-N 3.21Å; I272-P274 WeakPolarHBondContact O-CD 2.87Å |
| 273 | C | 36.7 | Very low | 40.1 | Very low | 120 Ų | 120 | 142.7 Ų | 142.7 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | | | trans | -61.1 | 121.4 | 165.2 | -70.8 | 0 | 0 | 0 | 0 | 108.9 | S271 | S271-C273 PolarHBondContact O-N 3.23Š|
| 274 | P | 37.7 | Very low | 39.7 | Very low | 121 Ų | 121 | 142 Ų | 142 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | | | trans | -91.7 | 136.4 | 175.3 | 34.1 | -26.8 | 0 | 0 | 0 | 109.9 | I272 | I272-P274 WeakPolarHBondContact O-CD 2.87Š|
| 275 | G | 36.3 | Very low | 39.2 | Very low | 75 Ų | 75 | 138.3 Ų | 138.3 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | trans | 103.2 | 145.5 | 153.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 276 | S | 40.9 | Very low | 39.4 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | | | trans | 82.3 | 83.3 | 177.8 | -161.4 | 0 | 0 | 0 | 0 | 114.5 | | |
| 277 | S | 41.2 | Very low | 39 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | | | | 76.8 | 99.8 | 84.8 | -168.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 278 | R | 38.8 | Very low | 39 | Very low | 195 Ų | 195 | 135.6 Ų | 135.6 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | | | trans | 63.3 | 109.3 | 140.3 | -64.2 | -175.4 | 178.2 | -160.5 | 0.7 | 118.7 | | |
| 279 | R | 40.8 | Very low | 38.7 | Very low | 200 Ų | 200 | 133.3 Ų | 133.3 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | | | trans | 80.8 | 143.9 | 135.1 | -58.6 | 175.6 | -155.9 | 171.9 | 4.4 | 117.7 | | |
| 280 | N | 44 | Very low | 38.4 | Very low | 149 Ų | 149 | 136.3 Ų | 136.3 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | | | trans | 89.7 | 91.6 | 168.4 | -50.9 | -12.9 | 0 | 0 | 0 | 112.7 | | |
| 281 | M | 34.5 | Very low | 38.4 | Very low | 179 Ų | 179 | 133 Ų | 133 | 88% | 0.882 | 78% | 0.777 | S | S | * | * | | | | 40.7 | 104.7 | 67.5 | -68.3 | -77.1 | 154.6 | 0 | 0 | 111.5 | | |
| 282 | C | 36.2 | Very low | 38.3 | Very low | 133 Ų | 133 | 132.1 Ų | 132.1 | 90% | 0.899 | 77% | 0.771 | S | S | * | * | | | trans | -170.1 | 102.3 | 139.7 | -89.9 | 0 | 0 | 0 | 0 | 108.1 | | |
| 283 | T | 36.7 | Very low | 38.4 | Very low | 122 Ų | 122 | 132.9 Ų | 132.9 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | | | trans | -61.1 | 158 | 152 | 44.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 284 | D | 34.3 | Very low | 38.5 | Very low | 140 Ų | 140 | 134.6 Ų | 134.6 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | | | trans | 143.3 | 101.3 | 152.2 | -75.6 | -6.7 | 0 | 0 | 0 | 108.6 | | |
| 285 | S | 35.3 | Very low | 38.6 | Very low | 97 Ų | 97 | 139.4 Ų | 139.4 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | | | | 91.5 | 154 | 82.6 | 77.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 286 | L | 42.1 | Very low | 38.5 | Very low | 158 Ų | 158 | 141.7 Ų | 141.7 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | | | trans | 92.2 | 86.4 | -178.4 | -47 | 172.6 | 0 | 0 | 0 | 114 | | |
| 287 | S | 32.7 | Very low | 38.5 | Very low | 95 Ų | 95 | 148.1 Ų | 148.1 | 66% | 0.664 | 78% | 0.781 | S | S | * | * | | | | 58.5 | 114.9 | 70.7 | 90.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 288 | L | 38.7 | Very low | 38.6 | Very low | 173 Ų | 173 | 149 Ų | 149 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | | | trans | 148.6 | 122.7 | 139.2 | -100.6 | 70.1 | 0 | 0 | 0 | 111.8 | | |
| 289 | G | 36.5 | Very low | 39.4 | Very low | 73 Ų | 73 | 147.6 Ų | 147.6 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | | | trans | 105.7 | 68.1 | 153.1 | 0 | 0 | 0 | 0 | 0 | 117 | P291 | G289-P291 WeakPolarHBondContact O-CD 3.36Š|
| 290 | Q | 38 | Very low | 40 | Very low | 193 Ų | 193 | 143.2 Ų | 143.2 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | | | trans | -90.6 | 111.4 | 157.6 | -82.9 | -101.1 | -42.5 | 0 | 0 | 109 | | |
| 291 | P | 44.5 | Very low | 40.5 | Very low | 84 Ų | 84 | 142 Ų | 142 | 55% | 0.545 | 79% | 0.791 | S | S | . | * | | | trans | -88 | 123.8 | 155.4 | 10.4 | 9.1 | 0 | 0 | 0 | 108 | G289 F293 | G289-P291 WeakPolarHBondContact O-CD 3.36Å; P291-F293 HydrophobicContact CB-CE2 4.06Å; P291-F293 HydrophobicContact CB-CZ 4.4Å; P291-F293 HydrophobicContact CG-CE2 3.87Å; P291-F293 HydrophobicContact CG-CZ 4.41Å; P291-F293 WeakPolarHBondContact O-CD2 3.21Å; P291-F293 PolarHBondContact O-N 3.29Å |
| 292 | S | 37.2 | Very low | 41.6 | Very low | 98 Ų | 98 | 142.9 Ų | 142.9 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | | | trans | -54.9 | 94.5 | 171.7 | 53 | 0 | 0 | 0 | 0 | 111.6 | N294 | S292-N294 VanDerWaalsContact C-N 3.29Å; S292-N294 PolarHBondContact O-N 3.16Å |
| 293 | F | 43.4 | Very low | 42.4 | Very low | 172 Ų | 172 | 141.8 Ų | 141.8 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | | | trans | -87 | 75.8 | 165.2 | -68.5 | -72.4 | 0 | 0 | 0 | 109.6 | P291 R295 | P291-F293 HydrophobicContact CB-CE2 4.06Å; P291-F293 HydrophobicContact CB-CZ 4.4Å; P291-F293 HydrophobicContact CG-CE2 3.87Å; P291-F293 HydrophobicContact CG-CZ 4.41Å; P291-F293 WeakPolarHBondContact O-CD2 3.21Å; P291-F293 PolarHBondContact O-N 3.29Å; F293-R295 PolarHBondContact O-N 3.21Å |
| 294 | N | 40 | Very low | 43.1 | Very low | 155 Ų | 155 | 142.6 Ų | 142.6 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | | | trans | -67.8 | 72.2 | 157 | -73.9 | -30.5 | 0 | 0 | 0 | 108.8 | S292 | S292-N294 VanDerWaalsContact C-N 3.29Å; S292-N294 PolarHBondContact O-N 3.16Å |
| 295 | R | 37.9 | Very low | 43.7 | Very low | 222 Ų | 222 | 141 Ų | 141 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | | | trans | -143.8 | 142.8 | 168.5 | -95.2 | -176.9 | -173.8 | -171.7 | 1.1 | 108.6 | F293 | F293-R295 PolarHBondContact O-N 3.21Š|
| 296 | C | 35.8 | Very low | 44.5 | Very low | 123 Ų | 123 | 142.7 Ų | 142.7 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | | | trans | 93.4 | 68.3 | 177.4 | -50.6 | 0 | 0 | 0 | 0 | 115.9 | | |
| 297 | R | 40.2 | Very low | 45 | Very low | 254 Ų | 254 | 141.8 Ų | 141.8 | 96% | 0.958 | 78% | 0.777 | S | S | * | * | | | trans | -156.6 | 66.5 | 141.6 | -68.4 | -157.4 | -178.5 | -171.1 | -0.3 | 112.1 | | |
| 298 | S | 44 | Very low | 45.5 | Very low | 115 Ų | 115 | 140.3 Ų | 140.3 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | trans | -120.3 | 84 | 154 | 60.9 | 0 | 0 | 0 | 0 | 107.3 | | |
| 299 | L | 55.6 | Low | 46.2 | Very low | 164 Ų | 164 | 143 Ų | 143 | 86% | 0.859 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 133.8 | 159.1 | -79.8 | 153.8 | 0 | 0 | 0 | 107 | | |
| 300 | P | 53.5 | Low | 46.7 | Very low | 108 Ų | 108 | 144.9 Ų | 144.9 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 140.7 | 170.2 | 24.8 | -31.1 | 0 | 0 | 0 | 107.6 | K302 | P300-K302 PolarHBondContact O-N 3.4Š|
| 301 | P | 54 | Low | 47 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 133.9 | 173.5 | -6.3 | 10.3 | 0 | 0 | 0 | 107.8 | S303 | P301-S303 PolarHBondContact O-N 3.3Š|
| 302 | K | 57.1 | Low | 47 | Very low | 198 Ų | 198 | 148 Ų | 148 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | | | trans | -45.4 | 124.4 | 171.8 | -81.1 | 176.6 | 175.7 | 174.9 | 0 | 106.9 | P300 I304 | P300-K302 PolarHBondContact O-N 3.4Å; K302-I304 VanDerWaalsContact C-N 3.31Å; K302-I304 PolarHBondContact O-N 3.45Å |
| 303 | S | 54 | Low | 47.1 | Very low | 111 Ų | 111 | 146.2 Ų | 146.2 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | | | trans | -57.2 | 99.6 | 175.6 | 53.8 | 0 | 0 | 0 | 0 | 107.7 | P301 N305 | P301-S303 PolarHBondContact O-N 3.3Å; S303-N305 PolarHBondContact O-N 3.34Å |
| 304 | I | 50.7 | Low | 47 | Very low | 138 Ų | 138 | 146.1 Ų | 146.1 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | | | trans | -66.9 | 115.8 | 165.9 | -70.7 | 169.4 | 0 | 0 | 0 | 104 | K302 P306 | K302-I304 VanDerWaalsContact C-N 3.31Å; K302-I304 PolarHBondContact O-N 3.45Å; I304-P306 WeakPolarHBondContact O-CD 3.32Å |
| 305 | N | 46.6 | Very low | 47 | Very low | 107 Ų | 107 | 146.2 Ų | 146.2 | 57% | 0.572 | 77% | 0.773 | S | S | * | * | | | trans | -55.3 | 127 | 168.7 | -78.2 | -37.9 | 0 | 0 | 0 | 106.8 | S303 I307 T308 | S303-N305 PolarHBondContact O-N 3.34Å; N305-I307 PolarHBondContact O-N 3.5Å; N305-T308 HydrophobicContact CB-CG2 4.11Å; N305-T308 PolarHBondContact O-N 3.5Å; N305-T308 VanDerWaalsContact O-N 3.09Å; N305-T308 PolarHBondContact O-OG1 3.39Å |
| 306 | P | 52.9 | Low | 47.7 | Very low | 133 Ų | 133 | 144.8 Ų | 144.8 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 2.5 | 177.6 | 25.3 | -32.7 | 0 | 0 | 0 | 113.2 | I304 | I304-P306 WeakPolarHBondContact O-CD 3.32Š|
| 307 | I | 51.1 | Low | 48.3 | Very low | 138 Ų | 138 | 145.9 Ų | 145.9 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.4 | 41.2 | 177.9 | -41.2 | 174.9 | 0 | 0 | 0 | 109.4 | N305 | N305-I307 PolarHBondContact O-N 3.5Š|
| 308 | T | 44.6 | Very low | 48.7 | Very low | 65 Ų | 65 | 140.2 Ų | 140.2 | 40% | 0.399 | 78% | 0.782 | S | S | . | * | | | trans | -98.5 | 100.8 | 154.6 | 42.1 | 0 | 0 | 0 | 0 | 107.1 | N305 D310 | N305-T308 HydrophobicContact CB-CG2 4.11Å; N305-T308 PolarHBondContact O-N 3.5Å; N305-T308 VanDerWaalsContact O-N 3.09Å; N305-T308 PolarHBondContact O-OG1 3.39Å; T308-D310 PolarHBondContact O-N 3.01Å |
| 309 | W | 52.8 | Low | 49 | Very low | 228 Ų | 228 | 141.6 Ų | 141.6 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | | | trans | -66.1 | 73 | 153.7 | -64.3 | 80.7 | 0 | 0 | 0 | 106.4 | S311 | W309-S311 VanDerWaalsContact C-N 3.27Å; W309-S311 PolarHBondContact O-N 2.89Å |
| 310 | D | 46.4 | Very low | 48.6 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 61% | 0.61 | 78% | 0.776 | S | S | * | * | | | trans | -55.3 | 109.6 | 157.6 | -76 | -30.1 | 0 | 0 | 0 | 104.1 | T308 Y312 | T308-D310 PolarHBondContact O-N 3.01Å; D310-Y312 WeakPolarHBondContact O-CD2 3.38Å; D310-Y312 PolarHBondContact O-N 3.18Å |
| 311 | S | 44 | Very low | 48.3 | Very low | 119 Ų | 119 | 142.3 Ų | 142.3 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | | | trans | -66 | 83.6 | -176.2 | -66.7 | 0 | 0 | 0 | 0 | 107.5 | W309 G313 | W309-S311 VanDerWaalsContact C-N 3.27Å; W309-S311 PolarHBondContact O-N 2.89Å; S311-G313 PolarHBondContact O-N 2.9Å |
| 312 | Y | 45.9 | Very low | 47.9 | Very low | 222 Ų | 222 | 143.5 Ų | 143.5 | 87% | 0.871 | 78% | 0.779 | S | S | * | * | | | trans | -61.8 | 114 | 162.1 | -86.3 | -87.6 | 0 | 0 | 0 | 107.3 | D310 | D310-Y312 WeakPolarHBondContact O-CD2 3.38Å; D310-Y312 PolarHBondContact O-N 3.18Å |
| 313 | G | 38.6 | Very low | 47.3 | Very low | 61 Ų | 61 | 139.6 Ų | 139.6 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | | | trans | 86.3 | 91.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 115 | S311 | S311-G313 PolarHBondContact O-N 2.9Š|
| 314 | N | 40.8 | Very low | 46.7 | Very low | 171 Ų | 171 | 141.8 Ų | 141.8 | 91% | 0.914 | 77% | 0.773 | S | S | * | * | | | trans | -152.5 | 72.2 | 141.1 | -84 | -39.5 | 0 | 0 | 0 | 106.9 | | |
| 315 | N | 39.7 | Very low | 46.4 | Very low | 156 Ų | 156 | 142.2 Ų | 142.2 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | | | trans | -87 | 142.5 | 148.3 | -105.6 | -18 | 0 | 0 | 0 | 106.7 | | |
| 316 | P | 53.6 | Low | 46.4 | Very low | 192 Ų | 192 | 145.4 Ų | 145.4 | 100% | 1.247 | 80% | 0.797 | S | S | * | * | | | trans | -60.9 | 0 | -167.9 | 25.9 | -35.7 | 0 | 0 | 0 | 114.6 | | |