| 1 | M | 51.9 | Low | 52.9 | Low | 235 Ų | 235 | 150.5 Ų | 150.5 | 100% | 1.158 | 80% | 0.801 | S | S | * | * | | | | 0 | 76.3 | 0 | -50.2 | 166.9 | -174.7 | 0 | 0 | 106.4 | | |
| 2 | V | 44.1 | Very low | 52.1 | Low | 129 Ų | 129 | 158.2 Ų | 158.2 | 78% | 0.782 | 81% | 0.81 | S | S | * | * | | | cis | 46.8 | 122.2 | 42.6 | -156.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 3 | D | 48.5 | Very low | 51.7 | Low | 123 Ų | 123 | 161.7 Ų | 161.7 | 66% | 0.658 | 82% | 0.817 | S | S | * | * | | | trans | 61.1 | 102.5 | 166.4 | -96.4 | -70 | 0 | 0 | 0 | 121.5 | | |
| 4 | R | 63.8 | Low | 52 | Low | 223 Ų | 223 | 158.7 Ų | 158.7 | 84% | 0.842 | 81% | 0.814 | S | S | * | * | | | | -146.2 | 76 | 117.8 | -165.5 | 149.6 | -67.6 | -175.8 | -2 | 112 | M6 | R4-M6 HydrophobicContact CG-SD 4.45Š|
| 5 | M | 57.5 | Low | 51.2 | Low | 166 Ų | 166 | 161.1 Ų | 161.1 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | trans | -63.5 | 131.1 | 148.9 | -72.6 | -174.4 | 177.2 | 0 | 0 | 108.1 | | |
| 6 | M | 60.1 | Low | 51.1 | Low | 161 Ų | 161 | 157.1 Ų | 157.1 | 79% | 0.793 | 82% | 0.819 | S | S | * | * | | | trans | -157.1 | 89.6 | 157.2 | -108.2 | 152.6 | -168.7 | 0 | 0 | 109 | R4 M8 | R4-M6 HydrophobicContact CG-SD 4.45Å; M6-M8 PolarHBondContact O-N 3.46Å |
| 7 | A | 54 | Low | 50.7 | Low | 99 Ų | 99 | 155.9 Ų | 155.9 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | trans | -69.5 | 119.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | N9 | A7-N9 VanDerWaalsContact C-N 3.34Å; A7-N9 PolarHBondContact O-N 3.21Å |
| 8 | M | 54.9 | Low | 49.9 | Very low | 155 Ų | 155 | 156.8 Ų | 156.8 | 76% | 0.764 | 83% | 0.825 | S | S | * | * | | | trans | -91.3 | 76.9 | 167.5 | -81.6 | 165.6 | 59.5 | 0 | 0 | 109.3 | M6 H10 | M6-M8 PolarHBondContact O-N 3.46Å; M8-H10 PolarHBondContact O-N 2.82Å |
| 9 | N | 50.9 | Low | 49.2 | Very low | 149 Ų | 149 | 151.9 Ų | 151.9 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | | | trans | -79.1 | 105.3 | 165.4 | -169.1 | -86.4 | 0 | 0 | 0 | 108.5 | A7 | A7-N9 VanDerWaalsContact C-N 3.34Å; A7-N9 PolarHBondContact O-N 3.21Å |
| 10 | H | 53.4 | Low | 48.9 | Very low | 149 Ų | 149 | 151.5 Ų | 151.5 | 69% | 0.69 | 81% | 0.813 | S | S | * | * | | | trans | -135.1 | 131.8 | 169.9 | -44.5 | -46 | 0 | 0 | 0 | 106.4 | M8 | M8-H10 PolarHBondContact O-N 2.82Š|
| 11 | G | 42.6 | Very low | 48.7 | Very low | 67 Ų | 67 | 152 Ų | 152 | 69% | 0.691 | 81% | 0.811 | S | S | * | * | | | cis | -165.8 | 161.9 | -6.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 12 | R | 43.4 | Very low | 48.6 | Very low | 242 Ų | 242 | 147.9 Ų | 147.9 | 91% | 0.913 | 79% | 0.788 | S | S | * | * | | | trans | -58.5 | 145.3 | -169.8 | -63.6 | 176.6 | 175.3 | -100.4 | 4.4 | 114.4 | | |
| 13 | F | 47.2 | Very low | 48.4 | Very low | 204 Ų | 204 | 150 Ų | 150 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | | | trans | -55 | 146.3 | 148.5 | -70.3 | -93.4 | 0 | 0 | 0 | 111.5 | | |
| 14 | P | 55.5 | Low | 48.2 | Very low | 120 Ų | 120 | 153 Ų | 153 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | | | trans | -104.2 | 159.5 | 146.4 | 34.6 | -27.5 | 0 | 0 | 0 | 111.9 | | |
| 15 | E | 40.7 | Very low | 48 | Very low | 195 Ų | 195 | 147.6 Ų | 147.6 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | | | trans | -76.9 | 172.5 | -169.5 | -71.2 | 173.8 | 102.3 | 0 | 0 | 116.1 | | |
| 16 | A | 49.1 | Very low | 47.6 | Very low | 96 Ų | 96 | 144.6 Ų | 144.6 | 79% | 0.793 | 79% | 0.794 | S | S | * | * | | | trans | -68.5 | 151.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 17 | V | 43.9 | Very low | 47 | Very low | 138 Ų | 138 | 147.5 Ų | 147.5 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | | | trans | -139.3 | 108.1 | 160.9 | -75.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 18 | N | 36.4 | Very low | 46.7 | Very low | 171 Ų | 171 | 153.1 Ų | 153.1 | 91% | 0.914 | 80% | 0.796 | S | S | * | * | | | | 54.9 | 123.7 | 129.2 | -153.9 | 30.4 | 0 | 0 | 0 | 121.6 | | |
| 19 | G | 36.2 | Very low | 46.2 | Very low | 65 Ų | 65 | 154.1 Ų | 154.1 | 67% | 0.67 | 80% | 0.801 | S | S | * | * | | | trans | 139.4 | 80.9 | 144.9 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 20 | L | 44.4 | Very low | 46 | Very low | 143 Ų | 143 | 150.8 Ų | 150.8 | 75% | 0.749 | 80% | 0.802 | S | S | * | * | | | | 46.7 | 103.9 | 125.5 | -166.5 | 73.6 | 0 | 0 | 0 | 122.9 | | |
| 21 | H | 44.2 | Very low | 45.8 | Very low | 163 Ų | 163 | 153.3 Ų | 153.3 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | | | trans | 173.8 | 109.4 | 132.2 | -101.6 | -173.8 | 0 | 0 | 0 | 108.6 | | |
| 22 | H | 49.6 | Very low | 46 | Very low | 148 Ų | 148 | 153 Ų | 153 | 69% | 0.685 | 81% | 0.814 | S | S | * | * | | | | 40.3 | 106.3 | 75.3 | -70.7 | 90.4 | 0 | 0 | 0 | 114.8 | | |
| 23 | H | 40.3 | Very low | 45.8 | Very low | 174 Ų | 174 | 148.8 Ų | 148.8 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | | | | 154.4 | 108.6 | 126.7 | -82.5 | -67.2 | 0 | 0 | 0 | 113.2 | | |
| 24 | H | 45.1 | Very low | 45.7 | Very low | 184 Ų | 184 | 147.5 Ų | 147.5 | 85% | 0.852 | 80% | 0.798 | S | S | * | * | | | trans | -71.2 | 157.9 | 149.7 | -69.2 | -82.7 | 0 | 0 | 0 | 109.3 | | |
| 25 | P | 57.7 | Low | 44.9 | Very low | 110 Ų | 110 | 147 Ų | 147 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | | | | -145.9 | 152.9 | 98.3 | 37.4 | -23 | 0 | 0 | 0 | 115.3 | | |
| 26 | A | 49.4 | Very low | 45 | Very low | 103 Ų | 103 | 145 Ų | 145 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | | | trans | -82.2 | 129.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 27 | R | 49.2 | Very low | 45 | Very low | 222 Ų | 222 | 145.9 Ų | 145.9 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | | | trans | -148.2 | 118.4 | 160.2 | -63.1 | -171.2 | -176.9 | -88 | 1.4 | 106.1 | | |
| 28 | R | 46.9 | Very low | 44.6 | Very low | 218 Ų | 218 | 146.1 Ų | 146.1 | 82% | 0.823 | 79% | 0.787 | S | S | * | * | | | | 72 | 130.3 | 64.1 | -163.9 | -175.8 | -165.6 | -92.5 | 2.7 | 112.8 | | |
| 29 | M | 44.5 | Very low | 44.7 | Very low | 176 Ų | 176 | 144.9 Ų | 144.9 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | | | trans | 92 | 136.6 | -179.6 | -53.4 | -178.4 | -61.3 | 0 | 0 | 114.1 | | |
| 30 | G | 47.2 | Very low | 44.9 | Very low | 79 Ų | 79 | 150.9 Ų | 150.9 | 81% | 0.814 | 79% | 0.786 | S | S | * | * | | | cis | -169.3 | 174.3 | -0.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 31 | M | 47.6 | Very low | 44.5 | Very low | 201 Ų | 201 | 151 Ų | 151 | 99% | 0.99 | 78% | 0.782 | S | S | * | * | | | trans | -74 | 146.8 | 178.3 | -95.9 | -167.1 | 166.5 | 0 | 0 | 113.9 | | |
| 32 | G | 47 | Very low | 44.1 | Very low | 61 Ų | 61 | 150.4 Ų | 150.4 | 63% | 0.629 | 78% | 0.78 | S | S | * | * | | | trans | -157.5 | 135 | 149.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 33 | Q | 40.3 | Very low | 43.6 | Very low | 153 Ų | 153 | 151 Ų | 151 | 72% | 0.715 | 78% | 0.783 | S | S | * | * | | | | 50.2 | 116.6 | 53.6 | -59.2 | -74.5 | -33.9 | 0 | 0 | 109 | | |
| 34 | F | 43.9 | Very low | 43.6 | Very low | 177 Ų | 177 | 150.8 Ų | 150.8 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | cis | -153.2 | 171 | 31.3 | -65.4 | -79.9 | 0 | 0 | 0 | 108.8 | | |
| 35 | S | 39.9 | Very low | 43.4 | Very low | 110 Ų | 110 | 150.2 Ų | 150.2 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | | | cis | -163.5 | 174.5 | -7.1 | -115.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 36 | N | 41.9 | Very low | 42.4 | Very low | 154 Ų | 154 | 153 Ų | 153 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | | | trans | -135 | 132.6 | 169.5 | -172.3 | 50.4 | 0 | 0 | 0 | 110.5 | | |
| 37 | P | 48.9 | Very low | 41.8 | Very low | 114 Ų | 114 | 155 Ų | 155 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | | | trans | -123.1 | 107.6 | 172.2 | 35 | -20.3 | 0 | 0 | 0 | 115.1 | | |
| 38 | L | 35.7 | Very low | 41 | Very low | 143 Ų | 143 | 147.7 Ų | 147.7 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | | | | 63.1 | 118.5 | 126.1 | -137.2 | 75.7 | 0 | 0 | 0 | 123.2 | | |
| 39 | H | 38.4 | Very low | 40.6 | Very low | 144 Ų | 144 | 146.8 Ų | 146.8 | 67% | 0.667 | 77% | 0.767 | S | S | * | * | | | trans | 60.1 | 117.1 | 138.4 | -77.4 | -161.3 | 0 | 0 | 0 | 122.9 | | |
| 40 | H | 40.7 | Very low | 40.4 | Very low | 191 Ų | 191 | 145 Ų | 145 | 88% | 0.884 | 77% | 0.765 | S | S | * | * | | | | -148.6 | 115.7 | 113.7 | -92.3 | 66.2 | 0 | 0 | 0 | 104.3 | | |
| 41 | Q | 36.3 | Very low | 40 | Very low | 145 Ų | 145 | 147.3 Ų | 147.3 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | | | | 69 | 117.3 | 53 | -139.8 | -149.1 | 68.7 | 0 | 0 | 115.5 | | |
| 42 | Q | 35.6 | Very low | 39.6 | Very low | 151 Ų | 151 | 140.7 Ų | 140.7 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | | | trans | 68.4 | 142.9 | 175.1 | -58 | -176.9 | 35.8 | 0 | 0 | 115.7 | | |
| 43 | Q | 40 | Very low | 39.8 | Very low | 160 Ų | 160 | 144.7 Ų | 144.7 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | | | cis | -146.5 | 148.9 | 21.6 | -152.4 | 165.6 | 68.5 | 0 | 0 | 112.6 | | |
| 44 | Q | 39.6 | Very low | 39.8 | Very low | 171 Ų | 171 | 146.6 Ų | 146.6 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | | | trans | -77.6 | 151.5 | 172.8 | -68.7 | 170.9 | -18.2 | 0 | 0 | 111.3 | | |
| 45 | Q | 40 | Very low | 39.6 | Very low | 172 Ų | 172 | 141.1 Ų | 141.1 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | | | trans | -152.2 | 116.3 | 140.4 | -118.4 | 165.1 | 98.8 | 0 | 0 | 111.2 | | |
| 46 | Q | 38.5 | Very low | 39.5 | Very low | 167 Ų | 167 | 143.2 Ų | 143.2 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | | | trans | -82.2 | 143.7 | 165.4 | -59.5 | -179.6 | 48.3 | 0 | 0 | 108.5 | | |
| 47 | H | 36.8 | Very low | 39.6 | Very low | 146 Ų | 146 | 141.8 Ų | 141.8 | 68% | 0.676 | 75% | 0.753 | S | S | * | * | | | trans | -152.4 | 104.6 | 143 | -95.5 | -61.5 | 0 | 0 | 0 | 109.9 | Y49 | H47-Y49 HydrophobicContact CB-CE2 4.28Å; H47-Y49 PolarHBondContact CE1-OH 3.48Å; H47-Y49 AromaticContact CG-CE2 3.98Å; H47-Y49 AromaticContact ND1-CE2 3.3Å; H47-Y49 VanDerWaalsContact ND1-CE2 3.3Å; H47-Y49 WeakPolarHBondContact ND1-CE2 3.27Å; H47-Y49 AromaticContact ND1-CZ 3.69Å; H47-Y49 PolarHBondContact ND1-OH 3.02Å |
| 48 | G | 32.2 | Very low | 39.3 | Very low | 68 Ų | 68 | 145.3 Ų | 145.3 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | | | trans | -92.8 | 136.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 49 | Y | 37.3 | Very low | 39.6 | Very low | 200 Ų | 200 | 146.7 Ų | 146.7 | 78% | 0.784 | 77% | 0.767 | S | S | * | * | | | trans | -139.7 | 110.1 | 163.2 | -73.1 | -70.6 | 0 | 0 | 0 | 109.7 | H47 | H47-Y49 HydrophobicContact CB-CE2 4.28Å; H47-Y49 PolarHBondContact CE1-OH 3.48Å; H47-Y49 AromaticContact CG-CE2 3.98Å; H47-Y49 AromaticContact ND1-CE2 3.3Å; H47-Y49 VanDerWaalsContact ND1-CE2 3.3Å; H47-Y49 WeakPolarHBondContact ND1-CE2 3.27Å; H47-Y49 AromaticContact ND1-CZ 3.69Å; H47-Y49 PolarHBondContact ND1-OH 3.02Å |
| 50 | T | 40.2 | Very low | 39.4 | Very low | 137 Ų | 137 | 151.1 Ų | 151.1 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | | | trans | -123.2 | 133.6 | 168.5 | -83.4 | 0 | 0 | 0 | 0 | 107.6 | | |
| 51 | T | 38.8 | Very low | 39.3 | Very low | 128 Ų | 128 | 145.7 Ų | 145.7 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | 94.3 | 128.3 | 170.4 | -46.5 | 0 | 0 | 0 | 0 | 118.3 | I53 | T51-I53 HydrophobicContact CG2-CD1 3.88Å; T51-I53 HydrophobicContact CG2-CG1 4.2Å |
| 52 | G | 39.1 | Very low | 39.5 | Very low | 63 Ų | 63 | 142.9 Ų | 142.9 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | | | trans | 141 | 70.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 53 | I | 51 | Low | 39.7 | Very low | 145 Ų | 145 | 139.5 Ų | 139.5 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | | | | 50.6 | 82.3 | 78.4 | -43 | 178.8 | 0 | 0 | 0 | 113.2 | T51 | T51-I53 HydrophobicContact CG2-CD1 3.88Å; T51-I53 HydrophobicContact CG2-CG1 4.2Å |
| 54 | M | 41.8 | Very low | 39.8 | Very low | 192 Ų | 192 | 138.8 Ų | 138.8 | 95% | 0.946 | 79% | 0.792 | S | S | * | * | | | trans | 168.5 | 134.7 | 160.1 | -97.7 | 168.2 | -77.4 | 0 | 0 | 105.9 | | |
| 55 | G | 40 | Very low | 40.7 | Very low | 63 Ų | 63 | 137.4 Ų | 137.4 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | | | cis | -176.2 | 145.8 | -9.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 56 | D | 37.4 | Very low | 41 | Very low | 153 Ų | 153 | 134.7 Ų | 134.7 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | 56.9 | 130.5 | 150.8 | -50.2 | -46.4 | 0 | 0 | 0 | 123.5 | | |
| 57 | N | 43.3 | Very low | 40.9 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 67% | 0.668 | 79% | 0.791 | S | S | * | * | | | trans | 70.7 | 92.2 | 142.3 | -66.5 | -4.5 | 0 | 0 | 0 | 121.8 | | |
| 58 | L | 43 | Very low | 41.4 | Very low | 187 Ų | 187 | 132 Ų | 132 | 98% | 0.979 | 80% | 0.8 | S | S | * | * | | | | -135.4 | 97.1 | 122 | -88.5 | 110.4 | 0 | 0 | 0 | 111.1 | | |
| 59 | H | 42 | Very low | 41.8 | Very low | 172 Ų | 172 | 137.4 Ų | 137.4 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | | | trans | -86.6 | 131.3 | 165 | -86.3 | 82.4 | 0 | 0 | 0 | 109.7 | | |
| 60 | Y | 33.4 | Very low | 41.9 | Very low | 237 Ų | 237 | 130.2 Ų | 130.2 | 93% | 0.929 | 79% | 0.794 | S | S | * | * | | | trans | -153.8 | 115.6 | 155.8 | -147.8 | -94.3 | 0 | 0 | 0 | 113.4 | | |
| 61 | G | 38.6 | Very low | 42.4 | Very low | 78 Ų | 78 | 129.8 Ų | 129.8 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | 71.3 | 118.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 62 | G | 40.9 | Very low | 42.7 | Very low | 85 Ų | 85 | 135.5 Ų | 135.5 | 88% | 0.876 | 79% | 0.792 | S | S | * | * | | | cis | 129.2 | 95.9 | -0.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 63 | G | 39.9 | Very low | 43 | Very low | 81 Ų | 81 | 140.3 Ų | 140.3 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | | | trans | 100.7 | 139.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 64 | N | 43.3 | Very low | 42.5 | Very low | 144 Ų | 144 | 139.3 Ų | 139.3 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | | | cis | -151.3 | 139.5 | -1 | -179.1 | 11.5 | 0 | 0 | 0 | 109.8 | | |
| 65 | V | 58.3 | Low | 42.8 | Very low | 143 Ų | 143 | 136.6 Ų | 136.6 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | | | trans | -102.4 | 110.9 | 171.2 | -82.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 66 | T | 44.6 | Very low | 42.6 | Very low | 114 Ų | 114 | 137.3 Ų | 137.3 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | | | trans | -154.2 | 98.5 | 167.6 | -60 | 0 | 0 | 0 | 0 | 106.5 | | |
| 67 | A | 37.6 | Very low | 42.7 | Very low | 97 Ų | 97 | 137.5 Ų | 137.5 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | | | | 81.7 | 134.5 | 72.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 68 | N | 47.3 | Very low | 43 | Very low | 159 Ų | 159 | 137 Ų | 137 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | | | trans | -87.6 | 112 | -165.3 | 173.9 | -8.4 | 0 | 0 | 0 | 112.8 | | |
| 69 | H | 40.6 | Very low | 42.8 | Very low | 182 Ų | 182 | 135.6 Ų | 135.6 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | | | trans | -171.7 | 152.8 | 157.3 | -133.4 | 60.4 | 0 | 0 | 0 | 108.1 | | |
| 70 | G | 38.3 | Very low | 42.6 | Very low | 50 Ų | 50 | 132.2 Ų | 132.2 | 52% | 0.515 | 80% | 0.802 | S | S | . | * | | | cis | 174.7 | 153.1 | -3 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 71 | I | 51 | Low | 42.6 | Very low | 127 Ų | 127 | 124.7 Ų | 124.7 | 65% | 0.651 | 80% | 0.796 | S | S | * | * | | | trans | -1.3 | 126.7 | 165.9 | -54.6 | 95.8 | 0 | 0 | 0 | 117.9 | H73 | I71-H73 VanDerWaalsContact CG2-CD2 3.42Å; I71-H73 WeakPolarHBondContact CG2-CD2 3.45Å; I71-H73 WeakPolarHBondContact CG2-NE2 3.3Å |
| 72 | R | 45.7 | Very low | 42.7 | Very low | 249 Ų | 249 | 130.1 Ų | 130.1 | 94% | 0.94 | 80% | 0.8 | S | S | * | * | | | trans | -148.7 | 124 | 143.9 | -109.9 | 161.1 | -160 | -99.5 | -0.5 | 112.1 | | |
| 73 | H | 44.3 | Very low | 43.4 | Very low | 163 Ų | 163 | 131.5 Ų | 131.5 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | | | trans | -82.7 | 151.4 | -178.5 | -62.4 | -105.4 | 0 | 0 | 0 | 111.5 | I71 | I71-H73 VanDerWaalsContact CG2-CD2 3.42Å; I71-H73 WeakPolarHBondContact CG2-CD2 3.45Å; I71-H73 WeakPolarHBondContact CG2-NE2 3.3Å |
| 74 | S | 42.1 | Very low | 43.8 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | | | trans | -113.7 | 136.9 | 156 | -170.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 75 | V | 46.7 | Very low | 43.5 | Very low | 134 Ų | 134 | 131.4 Ų | 131.4 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | | | trans | -127.8 | 144.5 | -173.4 | -80.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 76 | G | 36.3 | Very low | 43.2 | Very low | 78 Ų | 78 | 132 Ų | 132 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | 106 | 135.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 77 | N | 38.8 | Very low | 43.5 | Very low | 158 Ų | 158 | 134.7 Ų | 134.7 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | | | cis | -144.7 | 163.6 | 7.1 | -164.9 | 27 | 0 | 0 | 0 | 112.2 | | |
| 78 | V | 50.5 | Low | 44.2 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | | | trans | -73.9 | 144.9 | -166.1 | -63.8 | 0 | 0 | 0 | 0 | 115.9 | | |
| 79 | N | 37.8 | Very low | 44.2 | Very low | 158 Ų | 158 | 134.2 Ų | 134.2 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | | | | -174.7 | 148 | 115.7 | -112.4 | -20.9 | 0 | 0 | 0 | 116 | | |
| 80 | A | 37.8 | Very low | 44.4 | Very low | 100 Ų | 100 | 129 Ų | 129 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | | | trans | 64.7 | 113.2 | 153.5 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 81 | G | 33.7 | Very low | 44.6 | Very low | 79 Ų | 79 | 131 Ų | 131 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | | | trans | 107.3 | 94.4 | 130.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 82 | H | 40.4 | Very low | 44.3 | Very low | 192 Ų | 192 | 135.4 Ų | 135.4 | 89% | 0.889 | 81% | 0.808 | S | S | * | * | | | trans | -87.5 | 166.5 | 151.7 | -64.2 | -81 | 0 | 0 | 0 | 109.4 | | |
| 83 | P | 56 | Low | 44.3 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | | | cis | -133.4 | 171.4 | 11.1 | 41.6 | -24.9 | 0 | 0 | 0 | 117 | G85 | P83-G85 PolarHBondContact O-N 3.43Š|
| 84 | N | 47.9 | Very low | 44.1 | Very low | 157 Ų | 157 | 129.3 Ų | 129.3 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | | | trans | -4.1 | 100.5 | 154 | -167.8 | 25.3 | 0 | 0 | 0 | 117.4 | | |
| 85 | G | 38.3 | Very low | 43.9 | Very low | 66 Ų | 66 | 129.8 Ų | 129.8 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | | | trans | -116.3 | 106.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | P83 M87 | P83-G85 PolarHBondContact O-N 3.43Å; G85-M87 PolarHBondContact O-N 3.36Å |
| 86 | N | 50.8 | Low | 43.5 | Very low | 154 Ų | 154 | 130.7 Ų | 130.7 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | | | trans | -76.8 | 80.3 | -176.7 | -174.7 | 97.6 | 0 | 0 | 0 | 111.7 | | |
| 87 | M | 50.7 | Low | 43.7 | Very low | 172 Ų | 172 | 137 Ų | 137 | 85% | 0.847 | 80% | 0.795 | S | S | * | * | | | trans | -144.4 | 125 | 170.6 | -64.9 | -173.8 | -176.9 | 0 | 0 | 110.7 | G85 | G85-M87 PolarHBondContact O-N 3.36Š|
| 88 | P | 53.1 | Low | 44.3 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 141.8 | 173.7 | 31.1 | -33.3 | 0 | 0 | 0 | 110.8 | G90 | P88-G90 PolarHBondContact O-N 2.91Š|
| 89 | P | 48 | Very low | 43.6 | Very low | 127 Ų | 127 | 133.2 Ų | 133.2 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 131.5 | 170.3 | 27.6 | -32.6 | 0 | 0 | 0 | 109.9 | | |
| 90 | G | 43.8 | Very low | 44 | Very low | 73 Ų | 73 | 131.8 Ų | 131.8 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 137.4 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | P88 R92 | P88-G90 PolarHBondContact O-N 2.91Å; G90-R92 PolarHBondContact O-N 3.15Å |
| 91 | A | 42.4 | Very low | 44.6 | Very low | 91 Ų | 91 | 132.6 Ų | 132.6 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 117.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y93 | A91-Y93 PolarHBondContact O-N 2.88Š|
| 92 | R | 45 | Very low | 45.1 | Very low | 220 Ų | 220 | 132.5 Ų | 132.5 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | | | trans | -83 | 90.3 | 156.3 | -74.6 | -79.6 | -167.5 | 148.6 | 3.2 | 108.1 | G90 S94 | G90-R92 PolarHBondContact O-N 3.15Å; R92-S94 PolarHBondContact O-N 3.03Å |
| 93 | Y | 46.5 | Very low | 45.5 | Very low | 212 Ų | 212 | 128.5 Ų | 128.5 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 42.2 | 69.6 | 156.8 | -43.7 | -79.2 | 0 | 0 | 0 | 117.2 | A91 | A91-Y93 PolarHBondContact O-N 2.88Š|
| 94 | S | 38.8 | Very low | 45.2 | Very low | 73 Ų | 73 | 128.8 Ų | 128.8 | 51% | 0.51 | 79% | 0.787 | S | S | . | * | | | trans | -114 | 116.2 | 157.7 | 66.9 | 0 | 0 | 0 | 0 | 109.1 | R92 Q96 | R92-S94 PolarHBondContact O-N 3.03Å; S94-Q96 PolarHBondContact O-N 2.86Å; S94-Q96 PolarHBondContact OG-NE2 3.12Å |
| 95 | S | 38.8 | Very low | 45.3 | Very low | 134 Ų | 134 | 125.7 Ų | 125.7 | 94% | 0.937 | 78% | 0.776 | S | S | * | * | | | trans | -76.8 | 103.6 | 174.9 | -164.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 96 | Q | 38.6 | Very low | 46 | Very low | 154 Ų | 154 | 128.3 Ų | 128.3 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | | | trans | -110.7 | 111 | 175.5 | -61.3 | 176.7 | 31.5 | 0 | 0 | 107.8 | S94 | S94-Q96 PolarHBondContact O-N 2.86Å; S94-Q96 PolarHBondContact OG-NE2 3.12Å |
| 97 | F | 39.6 | Very low | 46 | Very low | 209 Ų | 209 | 129 Ų | 129 | 92% | 0.917 | 78% | 0.777 | S | S | * | * | | | trans | -89.7 | 131.6 | 170.6 | -171.9 | -96.3 | 0 | 0 | 0 | 108.9 | | |
| 98 | V | 51.8 | Low | 46.3 | Very low | 131 Ų | 131 | 123.2 Ų | 123.2 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | | | trans | -104.3 | 126 | -166.8 | 176.4 | 0 | 0 | 0 | 0 | 112 | | |
| 99 | G | 35.2 | Very low | 46.5 | Very low | 63 Ų | 63 | 124.9 Ų | 124.9 | 65% | 0.649 | 76% | 0.759 | S | S | * | * | | | trans | 143.9 | 165.1 | 157.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 100 | P | 47.3 | Very low | 47.3 | Very low | 127 Ų | 127 | 124.5 Ų | 124.5 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | | | cis | -93.8 | 168.8 | -49.1 | 37.5 | -29.4 | 0 | 0 | 0 | 111.3 | A102 | P100-A102 PolarHBondContact O-N 2.83Š|
| 101 | A | 50.8 | Low | 48.4 | Very low | 117 Ų | 117 | 123.7 Ų | 123.7 | 97% | 0.967 | 74% | 0.736 | S | S | * | * | | | trans | -72.6 | 97.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 102 | A | 42.8 | Very low | 49.3 | Very low | 78 Ų | 78 | 121.7 Ų | 121.7 | 65% | 0.645 | 72% | 0.72 | S | S | * | * | | | trans | -111 | 122.6 | 158.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | P100 V104 | P100-A102 PolarHBondContact O-N 2.83Å; A102-V104 VanDerWaalsContact C-N 3.34Å; A102-V104 PolarHBondContact O-N 3.29Å |
| 103 | A | 50.2 | Low | 50.4 | Low | 108 Ų | 108 | 114 Ų | 114 | 89% | 0.893 | 70% | 0.7 | S | S | * | * | | | trans | -72.2 | 85.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 104 | V | 49.9 | Very low | 51.9 | Low | 120 Ų | 120 | 109.5 Ų | 109.5 | 73% | 0.727 | 69% | 0.688 | S | S | * | * | | | trans | -66.4 | 127.8 | 165.8 | 178.2 | 0 | 0 | 0 | 0 | 107.9 | A102 T106 | A102-V104 VanDerWaalsContact C-N 3.34Å; A102-V104 PolarHBondContact O-N 3.29Å; V104-T106 PolarHBondContact O-N 2.97Å; V104-T106 VanDerWaalsContact O-N 3.15Å |
| 105 | P | 49.1 | Very low | 53.6 | Low | 93 Ų | 93 | 112.4 Ų | 112.4 | 60% | 0.604 | 69% | 0.693 | S | S | * | * | | | trans | -64.3 | 119.6 | 177.9 | 25.7 | -33 | 0 | 0 | 0 | 109.9 | Q107 G108 | P105-Q107 HydrophobicContact CB-CB 4.43Å; P105-Q107 PolarHBondContact O-N 3.35Å; P105-G108 PolarHBondContact O-N 2.9Å |
| 106 | T | 53.2 | Low | 55.4 | Low | 121 Ų | 121 | 111.7 Ų | 111.7 | 74% | 0.742 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | -7.2 | 176.1 | 23.2 | 0 | 0 | 0 | 0 | 114.3 | V104 G108 Q109 | V104-T106 PolarHBondContact O-N 2.97Å; V104-T106 VanDerWaalsContact O-N 3.15Å; T106-G108 VanDerWaalsContact C-N 3.29Å; T106-G108 PolarHBondContact O-N 3.48Å; T106-Q109 PolarHBondContact O-N 3.36Å |
| 107 | Q | 50.9 | Low | 57.1 | Low | 167 Ų | 167 | 109.6 Ų | 109.6 | 78% | 0.78 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -59.9 | -31.1 | 175.3 | -166.2 | 171.9 | -5.1 | 0 | 0 | 113.6 | P105 | P105-Q107 HydrophobicContact CB-CB 4.43Å; P105-Q107 PolarHBondContact O-N 3.35Å |
| 108 | G | 56.8 | Low | 58.7 | Low | 52 Ų | 52 | 107.1 Ų | 107.1 | 54% | 0.536 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -75.4 | -38.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | P105 T106 L110 | P105-G108 PolarHBondContact O-N 2.9Å; T106-G108 VanDerWaalsContact C-N 3.29Å; T106-G108 PolarHBondContact O-N 3.48Å; G108-L110 VanDerWaalsContact C-N 3.35Å; G108-L110 PolarHBondContact O-N 3.47Å |
| 109 | Q | 57.4 | Low | 59.5 | Low | 152 Ų | 152 | 106.4 Ų | 106.4 | 71% | 0.71 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -71.8 | -28.7 | -177.5 | -69.3 | -164.3 | 4.3 | 0 | 0 | 112.9 | T106 A112 S113 | T106-Q109 PolarHBondContact O-N 3.36Å; Q109-A112 PolarHBondContact O-N 3.44Å; Q109-S113 WeakPolarHBondContact O-CB 3.42Å; Q109-S113 PolarHBondContact O-N 3.23Å; Q109-S113 PolarHBondContact O-OG 2.99Å |
| 110 | L | 65.1 | Low | 60.6 | Low | 120 Ų | 120 | 107.5 Ų | 107.5 | 63% | 0.628 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -68.2 | -35.5 | 179.1 | -156 | 78.1 | 0 | 0 | 0 | 112.5 | G108 S113 M114 | G108-L110 VanDerWaalsContact C-N 3.35Å; G108-L110 PolarHBondContact O-N 3.47Å; L110-S113 WeakPolarHBondContact CA-OG 3.46Å; L110-S113 PolarHBondContact O-OG 3.46Å; L110-M114 WeakPolarHBondContact O-CB 3.21Å; L110-M114 WeakPolarHBondContact O-CG 3.1Å; L110-M114 PolarHBondContact O-N 3.32Å |
| 111 | A | 66.3 | Low | 61.6 | Low | 56 Ų | 56 | 104.8 Ų | 104.8 | 46% | 0.463 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -67.8 | -44.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | M114 Q115 | A111-M114 PolarHBondContact O-N 2.9Å; A111-Q115 WeakPolarHBondContact O-CG 3.29Å; A111-Q115 PolarHBondContact O-N 2.55Å; A111-Q115 VanDerWaalsContact O-N 3.16Å |
| 112 | A | 60.8 | Low | 62 | Low | 49 Ų | 49 | 105 Ų | 105 | 41% | 0.405 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64.8 | -41.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q109 Q115 L116 | Q109-A112 PolarHBondContact O-N 3.44Å; A112-Q115 PolarHBondContact O-N 3.46Å; A112-L116 PolarHBondContact O-N 3.14Å |
| 113 | S | 69.4 | Low | 62.6 | Low | 59 Ų | 59 | 109 Ų | 109 | 41% | 0.413 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68.8 | -37.3 | 178.3 | 69.9 | 0 | 0 | 0 | 0 | 112.5 | Q109 L110 Q115 L116 Q117 | Q109-S113 WeakPolarHBondContact O-CB 3.42Å; Q109-S113 PolarHBondContact O-N 3.23Å; Q109-S113 PolarHBondContact O-OG 2.99Å; L110-S113 WeakPolarHBondContact CA-OG 3.46Å; L110-S113 PolarHBondContact O-OG 3.46Å; S113-Q115 VanDerWaalsContact C-N 3.33Å; S113-Q115 PolarHBondContact O-N 3.42Å; S113-L116 PolarHBondContact O-N 3.03Å; S113-Q117 VanDerWaalsContact O-CB 3.3Å; S113-Q117 WeakPolarHBondContact O-CB 3.39Å; S113-Q117 PolarHBondContact O-N 3.48Å |
| 114 | M | 77 | Confident | 63 | Low | 117 Ų | 117 | 111.1 Ų | 111.1 | 58% | 0.576 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -61.3 | -39.2 | 172.3 | -74.6 | -103.6 | 64.2 | 0 | 0 | 112.6 | L110 A111 K118 | L110-M114 WeakPolarHBondContact O-CB 3.21Å; L110-M114 WeakPolarHBondContact O-CG 3.1Å; L110-M114 PolarHBondContact O-N 3.32Å; A111-M114 PolarHBondContact O-N 2.9Å; M114-K118 PolarHBondContact O-N 3.4Å |
| 115 | Q | 75 | Confident | 63.1 | Low | 134 Ų | 134 | 108.7 Ų | 108.7 | 63% | 0.626 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.9 | -46.6 | 176 | -71.7 | 174.1 | -4 | 0 | 0 | 111.8 | A111 A112 S113 Q117 K118 L119 | A111-Q115 WeakPolarHBondContact O-CG 3.29Å; A111-Q115 PolarHBondContact O-N 2.55Å; A111-Q115 VanDerWaalsContact O-N 3.16Å; A112-Q115 PolarHBondContact O-N 3.46Å; S113-Q115 VanDerWaalsContact C-N 3.33Å; S113-Q115 PolarHBondContact O-N 3.42Å; Q115-Q117 VanDerWaalsContact C-N 3.31Å; Q115-Q117 PolarHBondContact O-N 3.23Å; Q115-K118 PolarHBondContact O-N 3.46Å; Q115-L119 PolarHBondContact O-N 3.33Å |
| 116 | L | 75.4 | Confident | 63.4 | Low | 118 Ų | 118 | 111.4 Ų | 111.4 | 62% | 0.618 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -60.5 | -39.4 | 175 | -80.5 | 161.9 | 0 | 0 | 0 | 112.3 | A112 S113 K118 L119 N120 | A112-L116 PolarHBondContact O-N 3.14Å; S113-L116 PolarHBondContact O-N 3.03Å; L116-K118 PolarHBondContact O-N 3.18Å; L116-L119 PolarHBondContact O-N 3.16Å; L116-N120 WeakPolarHBondContact O-CB 3.34Å; L116-N120 PolarHBondContact O-N 3Å |
| 117 | Q | 76.2 | Confident | 63.4 | Low | 110 Ų | 110 | 110.8 Ų | 110.8 | 51% | 0.514 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.1 | -43.4 | 176.8 | -167.5 | 69.1 | 69.2 | 0 | 0 | 111.7 | S113 Q115 L119 N120 T121 | S113-Q117 VanDerWaalsContact O-CB 3.3Å; S113-Q117 WeakPolarHBondContact O-CB 3.39Å; S113-Q117 PolarHBondContact O-N 3.48Å; Q115-Q117 VanDerWaalsContact C-N 3.31Å; Q115-Q117 PolarHBondContact O-N 3.23Å; Q117-L119 VanDerWaalsContact C-N 3.35Å; Q117-L119 PolarHBondContact O-N 3.32Å; Q117-N120 PolarHBondContact O-N 3.14Å; Q117-T121 PolarHBondContact O-N 3.2Å; Q117-T121 VanDerWaalsContact O-N 3.08Å; Q117-T121 PolarHBondContact O-OG1 2.86Å |
| 118 | K | 72.3 | Confident | 63.7 | Low | 157 Ų | 157 | 107.7 Ų | 107.7 | 68% | 0.683 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -58.3 | -44.3 | 175.8 | -79.3 | -177.4 | 66.3 | -178.9 | 0 | 112.3 | M114 Q115 L116 Q122 | M114-K118 PolarHBondContact O-N 3.4Å; Q115-K118 PolarHBondContact O-N 3.46Å; L116-K118 PolarHBondContact O-N 3.18Å; K118-Q122 PolarHBondContact O-N 3.41Å |
| 119 | L | 69.3 | Low | 63.1 | Low | 116 Ų | 116 | 113.2 Ų | 113.2 | 61% | 0.607 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68 | -42.1 | -179.8 | -63.5 | 174.6 | 0 | 0 | 0 | 111.7 | Q115 L116 Q117 Q122 Y123 | Q115-L119 PolarHBondContact O-N 3.33Å; L116-L119 PolarHBondContact O-N 3.16Å; Q117-L119 VanDerWaalsContact C-N 3.35Å; Q117-L119 PolarHBondContact O-N 3.32Å; L119-Q122 PolarHBondContact O-N 3.26Å; L119-Y123 PolarHBondContact O-N 3.48Å |
| 120 | N | 58.5 | Low | 63 | Low | 86 Ų | 86 | 111.6 Ų | 111.6 | 46% | 0.46 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.9 | -41.2 | -179 | -163.9 | -77.4 | 0 | 0 | 0 | 112.2 | L116 Q117 Q122 Y123 Y124 | L116-N120 WeakPolarHBondContact O-CB 3.34Å; L116-N120 PolarHBondContact O-N 3Å; Q117-N120 PolarHBondContact O-N 3.14Å; N120-Q122 PolarHBondContact O-N 3.21Å; N120-Y123 PolarHBondContact O-N 3.49Å; N120-Y124 PolarHBondContact O-N 2.99Å; N120-Y124 WeakPolarHBondContact OD1-CD2 3.48Å |
| 121 | T | 66.4 | Low | 62.2 | Low | 71 Ų | 71 | 110.9 Ų | 110.9 | 44% | 0.436 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.3 | -38.8 | 177.3 | -60.6 | 0 | 0 | 0 | 0 | 112.6 | Q117 Y123 Y124 S125 | Q117-T121 PolarHBondContact O-N 3.2Å; Q117-T121 VanDerWaalsContact O-N 3.08Å; Q117-T121 PolarHBondContact O-OG1 2.86Å; T121-Y123 VanDerWaalsContact C-N 3.33Å; T121-Y123 PolarHBondContact O-N 2.78Å; T121-Y124 PolarHBondContact O-N 3.28Å; T121-S125 WeakPolarHBondContact O-CB 3.37Å; T121-S125 PolarHBondContact O-N 2.79Å; T121-S125 PolarHBondContact O-OG 2.98Å; T121-S125 VanDerWaalsContact O-OG 3.06Å |
| 122 | Q | 59.7 | Low | 61.2 | Low | 122 Ų | 122 | 115 Ų | 115 | 57% | 0.57 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -62.6 | -40.3 | 177.8 | -70 | -165.7 | -87.6 | 0 | 0 | 112.2 | K118 L119 N120 H126 | K118-Q122 PolarHBondContact O-N 3.41Å; L119-Q122 PolarHBondContact O-N 3.26Å; N120-Q122 PolarHBondContact O-N 3.21Å; Q122-H126 PolarHBondContact O-CD2 3.34Å; Q122-H126 PolarHBondContact O-N 2.88Å |
| 123 | Y | 55.3 | Low | 60.4 | Low | 161 Ų | 161 | 120.9 Ų | 120.9 | 63% | 0.631 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -61.1 | -56 | 177.7 | -160.5 | -104.5 | 0 | 0 | 0 | 110.9 | L119 N120 T121 S125 H126 H127 | L119-Y123 PolarHBondContact O-N 3.48Å; N120-Y123 PolarHBondContact O-N 3.49Å; T121-Y123 VanDerWaalsContact C-N 3.33Å; T121-Y123 PolarHBondContact O-N 2.78Å; Y123-S125 PolarHBondContact O-N 3.29Å; Y123-H126 PolarHBondContact O-N 3.05Å; Y123-H127 AromaticContact CD1-CD2 3.99Å; Y123-H127 AromaticContact CD1-NE2 3.37Å; Y123-H127 WeakPolarHBondContact CD1-NE2 3.3Å; Y123-H127 AromaticContact CE1-NE2 3.28Å; Y123-H127 VanDerWaalsContact CE1-NE2 3.28Å; Y123-H127 WeakPolarHBondContact CE1-NE2 3.38Å; Y123-H127 AromaticContact CG-NE2 3.78Å; Y123-H127 AromaticContact CZ-NE2 3.61Å; Y123-H127 PolarHBondContact O-CD2 3.15Å; Y123-H127 PolarHBondContact O-CE1 3.08Å; Y123-H127 PolarHBondContact O-NE2 3.44Å |
| 124 | Y | 58.5 | Low | 59.2 | Low | 152 Ų | 152 | 126.9 Ų | 126.9 | 60% | 0.596 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -66.2 | -32.7 | -177.7 | -80.9 | -82.6 | 0 | 0 | 0 | 114.6 | N120 T121 H126 H127 | N120-Y124 PolarHBondContact O-N 2.99Å; N120-Y124 WeakPolarHBondContact OD1-CD2 3.48Å; T121-Y124 PolarHBondContact O-N 3.28Å; Y124-H126 VanDerWaalsContact C-N 3.27Å; Y124-H126 PolarHBondContact O-N 3.37Å; Y124-H127 PolarHBondContact O-N 3.42Å |
| 125 | S | 53.1 | Low | 57.6 | Low | 70 Ų | 70 | 131.1 Ų | 131.1 | 49% | 0.49 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -67 | -25.3 | 178.1 | -68.3 | 0 | 0 | 0 | 0 | 113.7 | T121 Y123 H127 | T121-S125 WeakPolarHBondContact O-CB 3.37Å; T121-S125 PolarHBondContact O-N 2.79Å; T121-S125 PolarHBondContact O-OG 2.98Å; T121-S125 VanDerWaalsContact O-OG 3.06Å; Y123-S125 PolarHBondContact O-N 3.29Å; S125-H127 PolarHBondContact O-N 3.29Å |
| 126 | H | 54.9 | Low | 56.1 | Low | 150 Ų | 150 | 131.7 Ų | 131.7 | 69% | 0.694 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -0.2 | 175.7 | -77 | -61.5 | 0 | 0 | 0 | 113.9 | Q122 Y123 Y124 | Q122-H126 PolarHBondContact O-CD2 3.34Å; Q122-H126 PolarHBondContact O-N 2.88Å; Y123-H126 PolarHBondContact O-N 3.05Å; Y124-H126 VanDerWaalsContact C-N 3.27Å; Y124-H126 PolarHBondContact O-N 3.37Å |
| 127 | H | 54.1 | Low | 54.6 | Low | 108 Ų | 108 | 135 Ų | 135 | 50% | 0.5 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111 | 4.8 | -171.3 | -57.4 | -18.7 | 0 | 0 | 0 | 114.4 | Y123 Y124 S125 | Y123-H127 AromaticContact CD1-CD2 3.99Å; Y123-H127 AromaticContact CD1-NE2 3.37Å; Y123-H127 WeakPolarHBondContact CD1-NE2 3.3Å; Y123-H127 AromaticContact CE1-NE2 3.28Å; Y123-H127 VanDerWaalsContact CE1-NE2 3.28Å; Y123-H127 WeakPolarHBondContact CE1-NE2 3.38Å; Y123-H127 AromaticContact CG-NE2 3.78Å; Y123-H127 AromaticContact CZ-NE2 3.61Å; Y123-H127 PolarHBondContact O-CD2 3.15Å; Y123-H127 PolarHBondContact O-CE1 3.08Å; Y123-H127 PolarHBondContact O-NE2 3.44Å; Y124-H127 PolarHBondContact O-N 3.42Å; S125-H127 PolarHBondContact O-N 3.29Å |
| 128 | T | 56.5 | Low | 52.9 | Low | 101 Ų | 101 | 135.5 Ų | 135.5 | 62% | 0.62 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -108 | 13.3 | -176.3 | 53.1 | 0 | 0 | 0 | 0 | 115.1 | P130 | T128-P130 WeakPolarHBondContact O-CD 3.36Š|
| 129 | H | 43.7 | Very low | 51.7 | Low | 169 Ų | 169 | 135.3 Ų | 135.3 | 78% | 0.782 | 67% | 0.669 | S | S | * | * | | | trans | -119.3 | 94.2 | 173.7 | -66.2 | -51.9 | 0 | 0 | 0 | 112.7 | | |
| 130 | P | 56 | Low | 50.5 | Low | 117 Ų | 117 | 138.3 Ų | 138.3 | 76% | 0.76 | 68% | 0.679 | S | S | * | * | | | trans | -107 | 87.3 | 177 | 36.1 | -26.8 | 0 | 0 | 0 | 112.1 | T128 | T128-P130 WeakPolarHBondContact O-CD 3.36Š|
| 131 | S | 47.5 | Very low | 50 | Low | 105 Ų | 105 | 139.6 Ų | 139.6 | 73% | 0.734 | 69% | 0.692 | S | S | * | * | | | trans | 171.4 | 146.4 | 168.7 | 26.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 132 | H | 45.9 | Very low | 48.9 | Very low | 142 Ų | 142 | 140.1 Ų | 140.1 | 66% | 0.657 | 70% | 0.703 | S | S | * | * | | | cis | -168.3 | 139.5 | -12.3 | -132.4 | -76.1 | 0 | 0 | 0 | 107.2 | | |
| 133 | H | 44.5 | Very low | 47.7 | Very low | 173 Ų | 173 | 142.3 Ų | 142.3 | 80% | 0.801 | 72% | 0.719 | S | S | * | * | | | trans | 64.5 | 143.2 | 171.7 | -42.8 | -68.7 | 0 | 0 | 0 | 115.7 | | |
| 134 | H | 42.4 | Very low | 47.2 | Very low | 186 Ų | 186 | 142.6 Ų | 142.6 | 86% | 0.861 | 73% | 0.726 | S | S | * | * | | | | -148.1 | 138.1 | 53.6 | -74.6 | 62.2 | 0 | 0 | 0 | 111.8 | | |
| 135 | Y | 44.3 | Very low | 46.3 | Very low | 205 Ų | 205 | 144.5 Ų | 144.5 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | | | trans | -124.3 | 128.4 | 169.9 | -168.8 | -99.8 | 0 | 0 | 0 | 107 | | |
| 136 | M | 43.3 | Very low | 46 | Very low | 146 Ų | 146 | 149.5 Ų | 149.5 | 72% | 0.719 | 76% | 0.761 | S | S | * | * | | | trans | 67.1 | 131.4 | -178.5 | -57.2 | -63.9 | 162.2 | 0 | 0 | 117.7 | | |
| 137 | H | 43.9 | Very low | 45.2 | Very low | 187 Ų | 187 | 149.8 Ų | 149.8 | 87% | 0.866 | 77% | 0.767 | S | S | * | * | | | trans | -123.7 | 146.5 | 151.1 | -168.6 | 68 | 0 | 0 | 0 | 108.5 | | |
| 138 | D | 39.8 | Very low | 44.3 | Very low | 122 Ų | 122 | 147 Ų | 147 | 65% | 0.652 | 77% | 0.767 | S | S | * | * | | | trans | -97.1 | 171.2 | -148.3 | -140 | -57.3 | 0 | 0 | 0 | 114.6 | | |
| 139 | L | 47.7 | Very low | 43.6 | Very low | 153 Ų | 153 | 149.6 Ų | 149.6 | 80% | 0.801 | 78% | 0.783 | S | S | * | * | | | trans | -72.2 | 127.6 | 177.3 | -78.4 | 63.3 | 0 | 0 | 0 | 110.8 | | |
| 140 | H | 45.2 | Very low | 43.5 | Very low | 178 Ų | 178 | 144.9 Ų | 144.9 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | | | trans | -128.7 | 117.6 | 164.8 | -96.2 | -110 | 0 | 0 | 0 | 111.2 | | |
| 141 | P | 47.4 | Very low | 42.8 | Very low | 114 Ų | 114 | 148 Ų | 148 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | | | trans | -91.3 | 155.9 | 179.4 | 35.6 | -34.2 | 0 | 0 | 0 | 113.3 | | |
| 142 | A | 42.3 | Very low | 42.5 | Very low | 81 Ų | 81 | 152.2 Ų | 152.2 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | | | trans | 47.4 | 110.3 | 153.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 143 | N | 36.3 | Very low | 42.2 | Very low | 168 Ų | 168 | 154.1 Ų | 154.1 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | | | | -150.5 | 135.9 | 129.9 | -109.8 | -47.8 | 0 | 0 | 0 | 112 | | |
| 144 | H | 43.8 | Very low | 42.3 | Very low | 168 Ų | 168 | 155.2 Ų | 155.2 | 78% | 0.778 | 80% | 0.797 | S | S | * | * | | | trans | -81.5 | 141.6 | -176.6 | -60.3 | -90.1 | 0 | 0 | 0 | 111.3 | | |
| 145 | Q | 38.8 | Very low | 42.2 | Very low | 191 Ų | 191 | 153.2 Ų | 153.2 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | | | trans | -119.1 | 112.7 | 149.9 | -87 | -150.4 | 53.1 | 0 | 0 | 110.2 | | |
| 146 | L | 46.7 | Very low | 42.1 | Very low | 175 Ų | 175 | 149.6 Ų | 149.6 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | | | trans | -87 | 100.6 | 171.5 | -82.9 | 158.2 | 0 | 0 | 0 | 109.3 | | |
| 147 | N | 37.9 | Very low | 41.7 | Very low | 156 Ų | 156 | 149 Ų | 149 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | | | trans | -159.4 | 128.6 | 162.3 | -166.1 | 39.1 | 0 | 0 | 0 | 107.5 | | |
| 148 | G | 37 | Very low | 42 | Very low | 49 Ų | 49 | 144.9 Ų | 144.9 | 51% | 0.505 | 80% | 0.795 | S | S | . | * | | | cis | 152.6 | 114.3 | 3.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 149 | T | 40.3 | Very low | 41.9 | Very low | 156 Ų | 156 | 147.9 Ų | 147.9 | 96% | 0.957 | 80% | 0.803 | S | S | * | * | | | trans | 75.2 | 127 | 175.3 | 74.3 | 0 | 0 | 0 | 0 | 119.2 | | |
| 150 | G | 41.7 | Very low | 41.8 | Very low | 70 Ų | 70 | 149.8 Ų | 149.8 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | | | trans | 117 | 110 | 142 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 151 | Q | 41.6 | Very low | 41.2 | Very low | 183 Ų | 183 | 146.2 Ų | 146.2 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | | | trans | 74.7 | 74.5 | 155.1 | -45 | -53.9 | 57.8 | 0 | 0 | 119.6 | | |
| 152 | Q | 42.5 | Very low | 40.9 | Very low | 193 Ų | 193 | 147 Ų | 147 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | | | trans | -128 | 77.9 | 155.4 | -81.9 | -77.3 | -12.9 | 0 | 0 | 109.3 | | |
| 153 | F | 39.5 | Very low | 40.8 | Very low | 182 Ų | 182 | 148.4 Ų | 148.4 | 80% | 0.798 | 81% | 0.81 | S | S | * | * | | | trans | -163 | 139.8 | 162 | -155 | -129.2 | 0 | 0 | 0 | 111.7 | | |
| 154 | R | 46.3 | Very low | 40.9 | Very low | 196 Ų | 196 | 146 Ų | 146 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | | | trans | 73.6 | 125.8 | 175.4 | -59.3 | -163.6 | -174.4 | 173 | 1.7 | 116.2 | | |
| 155 | D | 39.4 | Very low | 41 | Very low | 144 Ų | 144 | 145.6 Ų | 145.6 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | | | cis | -146.9 | 147.5 | -0.2 | -77.4 | -47.2 | 0 | 0 | 0 | 111.5 | | |
| 156 | S | 42.3 | Very low | 41.4 | Very low | 129 Ų | 129 | 142.6 Ų | 142.6 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | | | trans | -76.6 | 118.4 | 169.9 | -57.6 | 0 | 0 | 0 | 0 | 111 | | |
| 157 | N | 36.1 | Very low | 41.1 | Very low | 133 Ų | 133 | 142.3 Ų | 142.3 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | | | trans | -152.4 | 107 | 156.7 | -167.5 | 11.7 | 0 | 0 | 0 | 112 | | |
| 158 | A | 48.4 | Very low | 41.1 | Very low | 101 Ų | 101 | 142.6 Ų | 142.6 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | | | trans | -88.1 | 106.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 159 | K | 39.5 | Very low | 41.8 | Very low | 185 Ų | 185 | 144.5 Ų | 144.5 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | -141 | 124.2 | 160.8 | -69.3 | -164.2 | 177.6 | -175.1 | 0 | 111.9 | | |
| 160 | H | 44 | Very low | 41.8 | Very low | 193 Ų | 193 | 143.9 Ų | 143.9 | 89% | 0.894 | 79% | 0.793 | S | S | * | * | | | trans | -53.3 | 139.6 | 170.3 | -85.1 | -131.1 | 0 | 0 | 0 | 112.7 | | |
| 161 | S | 32.5 | Very low | 41.9 | Very low | 104 Ų | 104 | 149 Ų | 149 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | | | trans | -175 | 107.1 | 141.3 | -81.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 162 | T | 41.4 | Very low | 42 | Very low | 129 Ų | 129 | 145.6 Ų | 145.6 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | | | | 81 | 144.7 | 106 | 59.9 | 0 | 0 | 0 | 0 | 117.3 | | |
| 163 | S | 41.5 | Very low | 41.8 | Very low | 112 Ų | 112 | 141.8 Ų | 141.8 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | | | trans | 69.4 | 99.5 | 168.3 | 65.8 | 0 | 0 | 0 | 0 | 119.4 | | |
| 164 | S | 38 | Very low | 42.2 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | | | | -175 | 124.6 | 107.6 | 33.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 165 | L | 46.6 | Very low | 42.3 | Very low | 159 Ų | 159 | 132.6 Ų | 132.6 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | | | trans | -80.8 | 162 | 160.1 | -78.2 | 80.5 | 0 | 0 | 0 | 108.5 | | |
| 166 | P | 45.8 | Very low | 42.8 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | | | | -125.3 | 165.6 | 100.8 | 36.2 | -32.2 | 0 | 0 | 0 | 114.6 | | |
| 167 | Q | 41.8 | Very low | 42.8 | Very low | 168 Ų | 168 | 133.6 Ų | 133.6 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | | | trans | -62 | 159.9 | -174.2 | -59.1 | 149.2 | -15.3 | 0 | 0 | 114 | | |
| 168 | Q | 38 | Very low | 43.1 | Very low | 163 Ų | 163 | 131 Ų | 131 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | | | | -163.7 | 98.7 | 116.7 | -105.6 | 163.9 | 34.6 | 0 | 0 | 112 | H170 | Q168-H170 PolarHBondContact O-N 3.09Å; Q168-H170 VanDerWaalsContact O-N 3.1Å; Q168-H170 PolarHBondContact OE1-CE1 2.88Å |
| 169 | A | 51.1 | Low | 43.5 | Very low | 89 Ų | 89 | 131.8 Ų | 131.8 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | | | trans | -76 | 91.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | H171 | A169-H171 PolarHBondContact O-N 3.06Å; A169-H171 PolarHBondContact O-ND1 3.39Å |
| 170 | H | 39.2 | Very low | 44 | Very low | 142 Ų | 142 | 130.3 Ų | 130.3 | 66% | 0.657 | 76% | 0.762 | S | S | * | * | | | trans | -75.5 | 90.7 | 174.5 | -81 | 89.1 | 0 | 0 | 0 | 111 | Q168 V172 | Q168-H170 PolarHBondContact O-N 3.09Å; Q168-H170 VanDerWaalsContact O-N 3.1Å; Q168-H170 PolarHBondContact OE1-CE1 2.88Å; H170-V172 VanDerWaalsContact C-N 3.27Å; H170-V172 PolarHBondContact O-N 3.47Å; H170-V172 VanDerWaalsContact O-N 3.09Å |
| 171 | H | 44.6 | Very low | 44.2 | Very low | 178 Ų | 178 | 124.6 Ų | 124.6 | 82% | 0.824 | 74% | 0.741 | S | S | * | * | | | trans | -78.3 | 78.2 | 166.6 | 47.1 | -76 | 0 | 0 | 0 | 108.7 | A169 | A169-H171 PolarHBondContact O-N 3.06Å; A169-H171 PolarHBondContact O-ND1 3.39Å |
| 172 | V | 43.8 | Very low | 45.5 | Very low | 111 Ų | 111 | 125.5 Ų | 125.5 | 67% | 0.673 | 74% | 0.736 | S | S | * | * | | | trans | -77.8 | 144.8 | 173.7 | -72.4 | 0 | 0 | 0 | 0 | 110.8 | H170 A174 | H170-V172 VanDerWaalsContact C-N 3.27Å; H170-V172 PolarHBondContact O-N 3.47Å; H170-V172 VanDerWaalsContact O-N 3.09Å; V172-A174 PolarHBondContact O-N 3.15Å |
| 173 | P | 39.2 | Very low | 46.2 | Very low | 113 Ų | 113 | 124.3 Ų | 124.3 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | | | trans | -61.4 | 127.7 | -179.7 | -23.3 | 34.3 | 0 | 0 | 0 | 112.2 | A175 | P173-A175 PolarHBondContact O-N 3.47Š|
| 174 | A | 46.7 | Very low | 47.1 | Very low | 113 Ų | 113 | 122.6 Ų | 122.6 | 93% | 0.934 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -78.1 | 52 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V172 | V172-A174 PolarHBondContact O-N 3.15Š|
| 175 | A | 49.4 | Very low | 48.1 | Very low | 72 Ų | 72 | 124.5 Ų | 124.5 | 60% | 0.595 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -142.8 | 132.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | P173 | P173-A175 PolarHBondContact O-N 3.47Š|
| 176 | I | 48.7 | Very low | 49.1 | Very low | 170 Ų | 170 | 125.2 Ų | 125.2 | 87% | 0.872 | 71% | 0.707 | S | S | * | * | | | trans | 74.2 | 67.4 | -169.4 | -39.9 | 161.5 | 0 | 0 | 0 | 113 | | |
| 177 | L | 43.2 | Very low | 50.5 | Low | 124 Ų | 124 | 123.1 Ų | 123.1 | 65% | 0.649 | 69% | 0.688 | S | S | * | * | | | trans | -108.9 | 136 | 148.8 | -72.9 | 176.1 | 0 | 0 | 0 | 108.5 | V181 | L177-V181 HydrophobicContact CD2-CG1 4.43Š|
| 178 | P | 42.5 | Very low | 52.5 | Low | 80 Ų | 80 | 119.5 Ų | 119.5 | 52% | 0.519 | 67% | 0.674 | S | S | . | * | | | trans | -56.2 | 149.5 | 171.5 | -22.6 | 33.4 | 0 | 0 | 0 | 110.6 | N180 V181 | P178-N180 PolarHBondContact O-N 3.37Å; P178-V181 HydrophobicContact CB-CG2 4.4Å; P178-V181 HydrophobicContact CG-CG2 4.42Å; P178-V181 PolarHBondContact O-N 3.43Å |
| 179 | P | 56 | Low | 54.6 | Low | 117 Ų | 117 | 118.1 Ų | 118.1 | 76% | 0.76 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -0.8 | -170.5 | 25.3 | -35.7 | 0 | 0 | 0 | 115.7 | | |
| 180 | N | 49.4 | Very low | 56.1 | Low | 153 Ų | 153 | 121 Ų | 121 | 82% | 0.818 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116 | 9.4 | -179.5 | -54.3 | -1.4 | 0 | 0 | 0 | 112.4 | P178 | P178-N180 PolarHBondContact O-N 3.37Š|
| 181 | V | 48.3 | Very low | 58.4 | Low | 74 Ų | 74 | 118.1 Ų | 118.1 | 45% | 0.448 | 66% | 0.658 | S | S | . | * | | | trans | -117.2 | 54.6 | 174.7 | -166.5 | 0 | 0 | 0 | 0 | 108.9 | L177 P178 | L177-V181 HydrophobicContact CD2-CG1 4.43Å; P178-V181 HydrophobicContact CB-CG2 4.4Å; P178-V181 HydrophobicContact CG-CG2 4.42Å; P178-V181 PolarHBondContact O-N 3.43Å |
| 182 | I | 59.9 | Low | 60.5 | Low | 123 Ų | 123 | 113.1 Ų | 113.1 | 63% | 0.631 | 64% | 0.637 | S | S | * | * | | | trans | -100.5 | 125.3 | 157.7 | -52.3 | 178.1 | 0 | 0 | 0 | 104.5 | T184 | I182-T184 PolarHBondContact O-N 2.97Å; I182-T184 PolarHBondContact O-OG1 3.43Å |
| 183 | D | 56.7 | Low | 62.6 | Low | 104 Ų | 104 | 113.2 Ų | 113.2 | 56% | 0.556 | 63% | 0.632 | S | S | * | * | | | trans | -68.8 | 59.6 | 178.3 | -92.4 | -35.1 | 0 | 0 | 0 | 110.9 | D185 F186 | D183-D185 PolarHBondContact O-N 3.48Å; D183-F186 HydrophobicContact CB-CD2 3.75Å; D183-F186 HydrophobicContact CB-CE2 4.43Å; D183-F186 PolarHBondContact O-N 3.27Å |
| 184 | T | 59.5 | Low | 64.9 | Low | 75 Ų | 75 | 111.3 Ų | 111.3 | 46% | 0.46 | 62% | 0.621 | S | S | . | * | G | 310 helix | trans | -63.5 | -26.7 | 179.8 | -38.4 | 0 | 0 | 0 | 0 | 110.9 | I182 F186 I187 | I182-T184 PolarHBondContact O-N 2.97Å; I182-T184 PolarHBondContact O-OG1 3.43Å; T184-F186 PolarHBondContact O-N 3.29Å; T184-F186 VanDerWaalsContact O-N 3.16Å; T184-I187 HydrophobicContact CG2-CD1 4.49Å; T184-I187 WeakPolarHBondContact O-CB 3.43Å; T184-I187 PolarHBondContact O-N 3.37Å |
| 185 | D | 60.5 | Low | 66.9 | Low | 158 Ų | 158 | 109.9 Ų | 109.9 | 85% | 0.845 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -62.5 | -16.7 | 173.8 | -57.8 | -25.2 | 0 | 0 | 0 | 113.6 | D183 | D183-D185 PolarHBondContact O-N 3.48Š|
| 186 | F | 66.2 | Low | 68.8 | Low | 174 Ų | 174 | 108.3 Ų | 108.3 | 76% | 0.763 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -96 | -4.7 | 172.7 | -72.9 | -92.7 | 0 | 0 | 0 | 113.4 | D183 T184 | D183-F186 HydrophobicContact CB-CD2 3.75Å; D183-F186 HydrophobicContact CB-CE2 4.43Å; D183-F186 PolarHBondContact O-N 3.27Å; T184-F186 PolarHBondContact O-N 3.29Å; T184-F186 VanDerWaalsContact O-N 3.16Å |
| 187 | I | 76.4 | Confident | 70.7 | Confident | 85 Ų | 85 | 105.7 Ų | 105.7 | 44% | 0.436 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -93.5 | 121 | 177.4 | -57.1 | 178.9 | 0 | 0 | 0 | 107.7 | T184 E189 | T184-I187 HydrophobicContact CG2-CD1 4.49Å; T184-I187 WeakPolarHBondContact O-CB 3.43Å; T184-I187 PolarHBondContact O-N 3.37Å; I187-E189 PolarHBondContact O-N 2.95Å |
| 188 | D | 84.4 | Confident | 73 | Confident | 92 Ų | 92 | 107 Ų | 107 | 49% | 0.492 | 57% | 0.569 | S | S | . | * | | | trans | -69 | 127.2 | 177.7 | -168.2 | -15.7 | 0 | 0 | 0 | 110.8 | E190 V191 L192 | D188-E190 PolarHBondContact O-N 3.1Å; D188-E190 PolarHBondContact OD1-N 2.88Å; D188-V191 HydrophobicContact CB-CB 4.39Å; D188-V191 HydrophobicContact CB-CG2 4.04Å; D188-V191 WeakPolarHBondContact O-CA 3.28Å; D188-V191 WeakPolarHBondContact O-CB 3.34Å; D188-V191 PolarHBondContact O-N 3.41Å; D188-L192 PolarHBondContact O-N 2.78Å |
| 189 | E | 81.9 | Confident | 75 | Confident | 134 Ų | 134 | 109.9 Ų | 109.9 | 63% | 0.626 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -58.2 | -30.1 | 176.6 | -64.5 | -72.8 | -171 | 0 | 0 | 111.7 | I187 V191 L192 M193 | I187-E189 PolarHBondContact O-N 2.95Å; E189-V191 VanDerWaalsContact C-N 3.33Å; E189-L192 PolarHBondContact O-N 3.36Å; E189-M193 VanDerWaalsContact O-CB 3.29Å; E189-M193 WeakPolarHBondContact O-CB 3.13Å; E189-M193 PolarHBondContact O-N 3.37Å |
| 190 | E | 82.1 | Confident | 76.3 | Confident | 150 Ų | 150 | 105.3 Ų | 105.3 | 70% | 0.701 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.8 | -35.4 | 175 | -63.1 | -168.2 | 179.8 | 0 | 0 | 111.9 | D188 S194 | D188-E190 PolarHBondContact O-N 3.1Å; D188-E190 PolarHBondContact OD1-N 2.88Å; E190-S194 WeakPolarHBondContact O-CB 3.37Å; E190-S194 PolarHBondContact O-N 3.12Å; E190-S194 PolarHBondContact O-OG 3.37Å |
| 191 | V | 87.8 | Confident | 78.1 | Confident | 80 Ų | 80 | 102.3 Ų | 102.3 | 49% | 0.485 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -73.4 | -41.5 | 174.5 | 177.8 | 0 | 0 | 0 | 0 | 110.2 | D188 E189 S194 L195 | D188-V191 HydrophobicContact CB-CB 4.39Å; D188-V191 HydrophobicContact CB-CG2 4.04Å; D188-V191 WeakPolarHBondContact O-CA 3.28Å; D188-V191 WeakPolarHBondContact O-CB 3.34Å; D188-V191 PolarHBondContact O-N 3.41Å; E189-V191 VanDerWaalsContact C-N 3.33Å; V191-S194 WeakPolarHBondContact O-CB 3.24Å; V191-S194 PolarHBondContact O-N 3.11Å; V191-L195 HydrophobicContact CG1-CD1 4.3Å; V191-L195 WeakPolarHBondContact O-CG 3.43Å; V191-L195 PolarHBondContact O-N 3.25Å |
| 192 | L | 88.9 | Confident | 79.9 | Confident | 74 Ų | 74 | 104.8 Ų | 104.8 | 39% | 0.387 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 176.7 | -175.4 | 59.5 | 0 | 0 | 0 | 111.7 | D188 E189 S194 L195 V196 | D188-L192 PolarHBondContact O-N 2.78Å; E189-L192 PolarHBondContact O-N 3.36Å; L192-S194 VanDerWaalsContact C-N 3.33Å; L192-S194 PolarHBondContact O-N 3.06Å; L192-L195 PolarHBondContact O-N 3.4Å; L192-V196 WeakPolarHBondContact O-CG2 3.35Å; L192-V196 PolarHBondContact O-N 3.21Å |
| 193 | M | 87.3 | Confident | 81.1 | Confident | 113 Ų | 113 | 108.7 Ų | 108.7 | 56% | 0.557 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.6 | -38.6 | 175.2 | -167.8 | 64.1 | 61.7 | 0 | 0 | 111.9 | E189 V196 I197 | E189-M193 VanDerWaalsContact O-CB 3.29Å; E189-M193 WeakPolarHBondContact O-CB 3.13Å; E189-M193 PolarHBondContact O-N 3.37Å; M193-V196 PolarHBondContact O-N 3.18Å; M193-I197 HydrophobicContact CG-CD1 4.38Å; M193-I197 WeakPolarHBondContact O-CG1 3.42Å; M193-I197 PolarHBondContact O-N 3.46Å; M193-I197 VanDerWaalsContact O-N 3.09Å |
| 194 | S | 87.2 | Confident | 82.3 | Confident | 72 Ų | 72 | 107.9 Ų | 107.9 | 50% | 0.503 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.2 | -46.9 | 174 | -61.9 | 0 | 0 | 0 | 0 | 111.3 | E190 V191 L192 V196 I197 E198 | E190-S194 WeakPolarHBondContact O-CB 3.37Å; E190-S194 PolarHBondContact O-N 3.12Å; E190-S194 PolarHBondContact O-OG 3.37Å; V191-S194 WeakPolarHBondContact O-CB 3.24Å; V191-S194 PolarHBondContact O-N 3.11Å; L192-S194 VanDerWaalsContact C-N 3.33Å; L192-S194 PolarHBondContact O-N 3.06Å; S194-V196 PolarHBondContact O-N 3.35Å; S194-I197 PolarHBondContact O-N 3.28Å; S194-E198 VanDerWaalsContact O-CB 3.28Å; S194-E198 WeakPolarHBondContact O-CB 3.38Å; S194-E198 PolarHBondContact O-N 3.49Å |
| 195 | L | 89.6 | Confident | 83 | Confident | 84 Ų | 84 | 114.4 Ų | 114.4 | 44% | 0.44 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.1 | -37.4 | 176.1 | -69.3 | 170.3 | 0 | 0 | 0 | 112.7 | V191 L192 I197 E198 M199 | V191-L195 HydrophobicContact CG1-CD1 4.3Å; V191-L195 WeakPolarHBondContact O-CG 3.43Å; V191-L195 PolarHBondContact O-N 3.25Å; L192-L195 PolarHBondContact O-N 3.4Å; L195-I197 VanDerWaalsContact C-N 3.32Å; L195-I197 PolarHBondContact O-N 3.17Å; L195-E198 PolarHBondContact O-N 2.74Å; L195-M199 VanDerWaalsContact O-CB 3.24Å; L195-M199 WeakPolarHBondContact O-CB 3.36Å; L195-M199 WeakPolarHBondContact O-CG 3.43Å; L195-M199 PolarHBondContact O-N 3.07Å |
| 196 | V | 89.2 | Confident | 83.6 | Confident | 39 Ų | 39 | 115.1 Ų | 115.1 | 24% | 0.236 | 57% | 0.568 | C | S | . | * | H | α-helix | trans | -59.7 | -42 | 174.5 | 161.3 | 0 | 0 | 0 | 0 | 111.6 | L192 M193 S194 G200 L201 D202 | L192-V196 WeakPolarHBondContact O-CG2 3.35Å; L192-V196 PolarHBondContact O-N 3.21Å; M193-V196 PolarHBondContact O-N 3.18Å; S194-V196 PolarHBondContact O-N 3.35Å; V196-G200 CarbonylContact O-C 3.58Å; V196-G200 PolarHBondContact O-N 3.27Å; V196-L201 HydrophobicContact CG1-CB 4.21Å; V196-L201 HydrophobicContact CG2-CD1 4.26Å; V196-L201 PolarHBondContact O-N 3.22Å; V196-D202 HydrophobicContact CG1-CB 4.32Å |
| 197 | I | 88.1 | Confident | 84.2 | Confident | 114 Ų | 114 | 113.7 Ų | 113.7 | 59% | 0.585 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -74.7 | -44.2 | 178.1 | -64.6 | 167.5 | 0 | 0 | 0 | 110.9 | M193 S194 L195 G200 | M193-I197 HydrophobicContact CG-CD1 4.38Å; M193-I197 WeakPolarHBondContact O-CG1 3.42Å; M193-I197 PolarHBondContact O-N 3.46Å; M193-I197 VanDerWaalsContact O-N 3.09Å; S194-I197 PolarHBondContact O-N 3.28Å; L195-I197 VanDerWaalsContact C-N 3.32Å; L195-I197 PolarHBondContact O-N 3.17Å; I197-G200 PolarHBondContact O-N 2.92Å; I197-G200 VanDerWaalsContact O-N 3.11Å |
| 198 | E | 90.2 | Very high | 84.1 | Confident | 152 Ų | 152 | 113.9 Ų | 113.9 | 71% | 0.71 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.6 | -44.1 | -178.6 | -175.8 | 172.1 | -169.5 | 0 | 0 | 112.3 | S194 L195 G200 | S194-E198 VanDerWaalsContact O-CB 3.28Å; S194-E198 WeakPolarHBondContact O-CB 3.38Å; S194-E198 PolarHBondContact O-N 3.49Å; L195-E198 PolarHBondContact O-N 2.74Å; E198-G200 PolarHBondContact O-N 3.28Å |
| 199 | M | 84.6 | Confident | 83.5 | Confident | 140 Ų | 140 | 116.9 Ų | 116.9 | 69% | 0.69 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -3.3 | 174.9 | -62.6 | -62.2 | -65.8 | 0 | 0 | 113 | L195 L201 | L195-M199 VanDerWaalsContact O-CB 3.24Å; L195-M199 WeakPolarHBondContact O-CB 3.36Å; L195-M199 WeakPolarHBondContact O-CG 3.43Å; L195-M199 PolarHBondContact O-N 3.07Å; M199-L201 VanDerWaalsContact C-N 3.29Å; M199-L201 HydrophobicContact CB-CD2 4.42Å; M199-L201 HydrophobicContact CB-CG 4.03Å; M199-L201 PolarHBondContact O-N 3.47Å |
| 200 | G | 84.7 | Confident | 83 | Confident | 22 Ų | 22 | 116.8 Ų | 116.8 | 23% | 0.227 | 59% | 0.589 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 69.2 | 19.4 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | V196 I197 E198 D202 R203 | V196-G200 CarbonylContact O-C 3.58Å; V196-G200 PolarHBondContact O-N 3.27Å; I197-G200 PolarHBondContact O-N 2.92Å; I197-G200 VanDerWaalsContact O-N 3.11Å; E198-G200 PolarHBondContact O-N 3.28Å; G200-D202 PolarHBondContact O-N 3.31Å; G200-R203 WeakPolarHBondContact O-CB 3.46Å; G200-R203 PolarHBondContact O-N 3.48Å |
| 201 | L | 86.9 | Confident | 82 | Confident | 89 Ų | 89 | 120.1 Ų | 120.1 | 47% | 0.466 | 60% | 0.595 | S | S | . | * | G | 310 helix | trans | -61.4 | -32.4 | -178.3 | -58.6 | -178.7 | 0 | 0 | 0 | 112.1 | V196 M199 R203 I204 | V196-L201 HydrophobicContact CG1-CB 4.21Å; V196-L201 HydrophobicContact CG2-CD1 4.26Å; V196-L201 PolarHBondContact O-N 3.22Å; M199-L201 VanDerWaalsContact C-N 3.29Å; M199-L201 HydrophobicContact CB-CD2 4.42Å; M199-L201 HydrophobicContact CB-CG 4.03Å; M199-L201 PolarHBondContact O-N 3.47Å; L201-R203 PolarHBondContact O-N 3.26Å; L201-I204 HydrophobicContact CD2-CD1 3.61Å; L201-I204 WeakPolarHBondContact O-CB 3.38Å; L201-I204 PolarHBondContact O-N 2.96Å |
| 202 | D | 85.4 | Confident | 80.7 | Confident | 126 Ų | 126 | 124.3 Ų | 124.3 | 67% | 0.674 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -51.9 | -25 | 170.9 | 172.8 | 73.8 | 0 | 0 | 0 | 113.9 | V196 G200 | V196-D202 HydrophobicContact CG1-CB 4.32Å; G200-D202 PolarHBondContact O-N 3.31Å |
| 203 | R | 85.1 | Confident | 79 | Confident | 205 Ų | 205 | 123.3 Ų | 123.3 | 77% | 0.774 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -97.8 | -4.9 | -176.4 | -55.1 | -177.3 | -177 | -169.7 | 2.4 | 113.6 | G200 L201 K205 | G200-R203 WeakPolarHBondContact O-CB 3.46Å; G200-R203 PolarHBondContact O-N 3.48Å; L201-R203 PolarHBondContact O-N 3.26Å; R203-K205 PolarHBondContact O-N 3.05Å |
| 204 | I | 82.3 | Confident | 77.5 | Confident | 88 Ų | 88 | 127.3 Ų | 127.3 | 45% | 0.451 | 64% | 0.638 | S | S | . | * | | | trans | -76.5 | 120.4 | -179.1 | -63 | -179.3 | 0 | 0 | 0 | 108.8 | L201 E206 | L201-I204 HydrophobicContact CD2-CD1 3.61Å; L201-I204 WeakPolarHBondContact O-CB 3.38Å; L201-I204 PolarHBondContact O-N 2.96Å; I204-E206 WeakPolarHBondContact CG2-O 3.47Å |
| 205 | K | 74.6 | Confident | 75.8 | Confident | 212 Ų | 212 | 130.7 Ų | 130.7 | 92% | 0.922 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -94.1 | -13.9 | -176.3 | -57.1 | -168.1 | 70.5 | 177.4 | 0 | 114 | R203 | R203-K205 PolarHBondContact O-N 3.05Š|
| 206 | E | 73.8 | Confident | 74.2 | Confident | 173 Ų | 173 | 135.6 Ų | 135.6 | 81% | 0.808 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -152.5 | 127.4 | -178 | -173.6 | 170.4 | -175.5 | 0 | 0 | 107.8 | I204 | I204-E206 WeakPolarHBondContact CG2-O 3.47Š|
| 207 | L | 78.7 | Confident | 72.4 | Confident | 144 Ų | 144 | 141.3 Ų | 141.3 | 75% | 0.754 | 69% | 0.693 | S | S | * | * | | | trans | -83.3 | 128.8 | -179.2 | -150.4 | 91.2 | 0 | 0 | 0 | 108.8 | | |
| 208 | P | 74.2 | Confident | 70.6 | Confident | 88 Ų | 88 | 141.8 Ų | 141.8 | 57% | 0.571 | 70% | 0.697 | S | S | * | * | | | trans | -64 | 143.9 | 176.9 | 26.2 | -34.9 | 0 | 0 | 0 | 111.6 | L210 | P208-L210 PolarHBondContact O-N 3.07Å; P208-L210 VanDerWaalsContact O-N 3.15Å |
| 209 | E | 70.9 | Confident | 68.6 | Low | 155 Ų | 155 | 143.2 Ų | 143.2 | 72% | 0.724 | 70% | 0.701 | S | S | * | * | | | trans | -66.2 | 111.3 | 173.6 | -68.3 | -173.5 | 173.8 | 0 | 0 | 110.8 | W211 | E209-W211 PolarHBondContact O-N 3.43Å; E209-W211 PolarHBondContact OE2-NE1 2.86Å |
| 210 | L | 70.6 | Confident | 66.9 | Low | 133 Ų | 133 | 142.8 Ų | 142.8 | 70% | 0.696 | 70% | 0.699 | S | S | * | * | | | trans | -91.8 | 100.5 | 177.7 | -62.2 | -179.3 | 0 | 0 | 0 | 110.6 | P208 L212 | P208-L210 PolarHBondContact O-N 3.07Å; P208-L210 VanDerWaalsContact O-N 3.15Å; L210-L212 PolarHBondContact O-N 3.26Å |
| 211 | W | 62.1 | Low | 65.4 | Low | 220 Ų | 220 | 144.3 Ų | 144.3 | 83% | 0.833 | 70% | 0.704 | S | S | * | * | | | trans | -78.8 | 86.6 | 171.7 | -65.7 | 89.5 | 0 | 0 | 0 | 110 | E209 G213 | E209-W211 PolarHBondContact O-N 3.43Å; E209-W211 PolarHBondContact OE2-NE1 2.86Å; W211-G213 PolarHBondContact O-N 3.44Å |
| 212 | L | 60.6 | Low | 63.6 | Low | 168 Ų | 168 | 146 Ų | 146 | 88% | 0.88 | 71% | 0.714 | S | S | * | * | | | trans | -69.9 | 67.9 | 171.9 | -74.2 | 158.2 | 0 | 0 | 0 | 110.7 | L210 | L210-L212 PolarHBondContact O-N 3.26Š|
| 213 | G | 53.2 | Low | 61.8 | Low | 52 Ų | 52 | 148.8 Ų | 148.8 | 54% | 0.536 | 72% | 0.72 | S | S | . | * | | | trans | -64.8 | 144.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | W211 N215 | W211-G213 PolarHBondContact O-N 3.44Å; G213-N215 CarbonylContact O-C 3.58Å; G213-N215 PolarHBondContact O-N 3.46Å |
| 214 | Q | 55.7 | Low | 60.2 | Low | 197 Ų | 197 | 143.8 Ų | 143.8 | 92% | 0.921 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -68.1 | 16.8 | -169.1 | -151.4 | 170.5 | 10.7 | 0 | 0 | 115.8 | | |
| 215 | N | 51.7 | Low | 58.8 | Low | 144 Ų | 144 | 143.9 Ų | 143.9 | 77% | 0.77 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -110 | 84.5 | 164.2 | -65.4 | -80.7 | 0 | 0 | 0 | 107.3 | G213 F217 | G213-N215 CarbonylContact O-C 3.58Å; G213-N215 PolarHBondContact O-N 3.46Å; N215-F217 PolarHBondContact O-N 3.09Å |
| 216 | E | 54.7 | Low | 57.7 | Low | 187 Ų | 187 | 142.8 Ų | 142.8 | 87% | 0.874 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -54.5 | 127.2 | 170.1 | -61.1 | 172.5 | 128 | 0 | 0 | 108.2 | | |
| 217 | F | 51.4 | Low | 56.6 | Low | 158 Ų | 158 | 142.5 Ų | 142.5 | 69% | 0.693 | 71% | 0.714 | S | S | * | * | | | trans | 83.3 | 55.3 | -171.9 | -82.1 | -96.5 | 0 | 0 | 0 | 119.8 | N215 F219 M220 | N215-F217 PolarHBondContact O-N 3.09Å; F217-F219 HydrophobicContact CD1-CB 4.19Å; F217-F219 PolarHBondContact O-N 3.01Å; F217-M220 HydrophobicContact CD1-CG 4.39Å; F217-M220 PolarHBondContact O-N 3.3Å |
| 218 | D | 51.6 | Low | 54.9 | Low | 124 Ų | 124 | 143.5 Ų | 143.5 | 66% | 0.663 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 26 | 156.6 | -147.3 | 35.1 | 0 | 0 | 0 | 113.6 | T221 | D218-T221 PolarHBondContact O-OG1 2.99Å; D218-T221 VanDerWaalsContact OD1-CB 3.29Å; D218-T221 WeakPolarHBondContact OD1-CB 3.49Å; D218-T221 WeakPolarHBondContact OD1-CG2 3.28Å; D218-T221 PolarHBondContact OD1-OG1 2.86Å |
| 219 | F | 48.7 | Very low | 53.4 | Low | 182 Ų | 182 | 144.4 Ų | 144.4 | 80% | 0.798 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | -13.2 | 170.9 | -125.5 | -77.7 | 0 | 0 | 0 | 112.4 | F217 | F217-F219 HydrophobicContact CD1-CB 4.19Å; F217-F219 PolarHBondContact O-N 3.01Å |
| 220 | M | 49.2 | Very low | 52.4 | Low | 132 Ų | 132 | 141.9 Ų | 141.9 | 65% | 0.65 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -99.1 | -22.1 | 178.2 | -71.6 | -179.8 | 65 | 0 | 0 | 113.1 | F217 D222 F223 | F217-M220 HydrophobicContact CD1-CG 4.39Å; F217-M220 PolarHBondContact O-N 3.3Å; M220-D222 PolarHBondContact O-N 3.16Å; M220-F223 PolarHBondContact O-N 3.41Å |
| 221 | T | 51.2 | Low | 51.3 | Low | 53 Ų | 53 | 147.2 Ų | 147.2 | 33% | 0.325 | 73% | 0.731 | S | S | . | * | H | α-helix | trans | -66.6 | -33.3 | -177.1 | 46.8 | 0 | 0 | 0 | 0 | 112.9 | D218 F223 V224 C225 | D218-T221 PolarHBondContact O-OG1 2.99Å; D218-T221 VanDerWaalsContact OD1-CB 3.29Å; D218-T221 WeakPolarHBondContact OD1-CB 3.49Å; D218-T221 WeakPolarHBondContact OD1-CG2 3.28Å; D218-T221 PolarHBondContact OD1-OG1 2.86Å; T221-F223 PolarHBondContact O-N 2.92Å; T221-F223 VanDerWaalsContact O-N 3.14Å; T221-V224 CarbonylContact O-C 3.56Å; T221-V224 WeakPolarHBondContact O-CA 3.5Å; T221-V224 PolarHBondContact O-N 3Å; T221-C225 PolarHBondContact O-N 3.24Å; T221-C225 PolarHBondContact O-SG 3Å |
| 222 | D | 51 | Low | 50.7 | Low | 126 Ų | 126 | 142.7 Ų | 142.7 | 67% | 0.674 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -55.6 | -29.8 | 173.1 | -104.4 | -28.8 | 0 | 0 | 0 | 113.4 | M220 | M220-D222 PolarHBondContact O-N 3.16Å |
| 223 | F | 47 | Very low | 49.7 | Very low | 183 Ų | 183 | 140.1 Ų | 140.1 | 80% | 0.803 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -77.6 | -28.1 | 173.1 | -99.6 | -86.8 | 0 | 0 | 0 | 113.4 | M220 T221 | M220-F223 PolarHBondContact O-N 3.41Å; T221-F223 PolarHBondContact O-N 2.92Å; T221-F223 VanDerWaalsContact O-N 3.14Å |
| 224 | V | 52.2 | Low | 49.4 | Very low | 101 Ų | 101 | 147 Ų | 147 | 61% | 0.612 | 76% | 0.761 | S | S | * | * | H | α-helix | trans | -86.3 | -35.6 | -178.8 | -172.9 | 0 | 0 | 0 | 0 | 111.5 | T221 K226 Q227 | T221-V224 CarbonylContact O-C 3.56Å; T221-V224 WeakPolarHBondContact O-CA 3.5Å; T221-V224 PolarHBondContact O-N 3Å; V224-K226 PolarHBondContact O-N 2.85Å; V224-K226 VanDerWaalsContact O-N 3.12Å; V224-Q227 WeakPolarHBondContact O-CB 3.29Å; V224-Q227 PolarHBondContact O-N 3.38Å |
| 225 | C | 52.9 | Low | 49.1 | Very low | 90 Ų | 90 | 144.5 Ų | 144.5 | 61% | 0.608 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -59.4 | -22.8 | 176 | -71.3 | 0 | 0 | 0 | 0 | 113.4 | T221 Q227 | T221-C225 PolarHBondContact O-N 3.24Å; T221-C225 PolarHBondContact O-SG 3Å; C225-Q227 PolarHBondContact O-N 2.71Å |
| 226 | K | 51 | Low | 48.9 | Very low | 189 Ų | 189 | 144.5 Ų | 144.5 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -74.1 | -3.8 | 171.9 | -84.7 | -179.3 | 173.4 | 170.1 | 0 | 115 | V224 Q228 | V224-K226 PolarHBondContact O-N 2.85Å; V224-K226 VanDerWaalsContact O-N 3.12Å; K226-Q228 VanDerWaalsContact C-N 3.35Å |
| 227 | Q | 49.6 | Very low | 48.6 | Very low | 167 Ų | 167 | 142.2 Ų | 142.2 | 78% | 0.78 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -96.7 | 31.5 | 176.6 | -142.1 | 178.7 | 113.4 | 0 | 0 | 113.6 | V224 C225 P229 | V224-Q227 WeakPolarHBondContact O-CB 3.29Å; V224-Q227 PolarHBondContact O-N 3.38Å; C225-Q227 PolarHBondContact O-N 2.71Å; Q227-P229 VanDerWaalsContact O-CD 3.27Å; Q227-P229 WeakPolarHBondContact O-CD 3.41Å |
| 228 | Q | 43.9 | Very low | 48.5 | Very low | 164 Ų | 164 | 141.2 Ų | 141.2 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | | | trans | -53.9 | 118.6 | 155.5 | -89.3 | -93.5 | -0.1 | 0 | 0 | 108.8 | K226 S230 | K226-Q228 VanDerWaalsContact C-N 3.35Å; Q228-S230 PolarHBondContact O-N 3.05Å |
| 229 | P | 43.3 | Very low | 48.3 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | | | trans | -65.3 | 110.7 | 175.9 | -18.8 | 32.4 | 0 | 0 | 0 | 109 | Q227 R231 | Q227-P229 VanDerWaalsContact O-CD 3.27Å; Q227-P229 WeakPolarHBondContact O-CD 3.41Å; P229-R231 PolarHBondContact O-N 3.39Å |
| 230 | S | 48.8 | Very low | 48.2 | Very low | 102 Ų | 102 | 139.7 Ų | 139.7 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | | | trans | -59.4 | 97.1 | 175 | -178.4 | 0 | 0 | 0 | 0 | 110 | Q228 V232 | Q228-S230 PolarHBondContact O-N 3.05Å; S230-V232 PolarHBondContact O-N 3.28Å |
| 231 | R | 47.6 | Very low | 48.2 | Very low | 244 Ų | 244 | 140.2 Ų | 140.2 | 92% | 0.921 | 76% | 0.758 | S | S | * | * | | | trans | -86.7 | 64.9 | 163.8 | -78 | -158.8 | 137.7 | -169.7 | -5.3 | 110 | P229 S233 | P229-R231 PolarHBondContact O-N 3.39Å; R231-S233 PolarHBondContact O-N 3.4Å |
| 232 | V | 50.4 | Low | 47.9 | Very low | 126 Ų | 126 | 146.9 Ų | 146.9 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | | | trans | -74.2 | 111.6 | 147.7 | 177.4 | 0 | 0 | 0 | 0 | 106.5 | S230 | S230-V232 PolarHBondContact O-N 3.28Š|
| 233 | S | 39.4 | Very low | 47.7 | Very low | 114 Ų | 114 | 148.7 Ų | 148.7 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | | | trans | -136.8 | 136.7 | 161.6 | -170.9 | 0 | 0 | 0 | 0 | 107.4 | R231 | R231-S233 PolarHBondContact O-N 3.4Š|
| 234 | C | 46.2 | Very low | 47.8 | Very low | 196 Ų | 196 | 145.5 Ų | 145.5 | 100% | 1.324 | 80% | 0.801 | S | S | * | * | | | trans | -66.6 | 0 | -168.6 | -49.3 | 0 | 0 | 0 | 0 | 114.1 | | |