| 1 | L | 44.8 | Very low | 40.1 | Very low | 193 Ų | 193 | 148.5 Ų | 148.5 | 100% | 1.01 | 75% | 0.754 | S | S | * | * | | | | 0 | 147.3 | 0 | -55 | 177.7 | 0 | 0 | 0 | 107.1 | I3 | L1-I3 HydrophobicContact CB-CD1 4.45Å; L1-I3 HydrophobicContact CB-CG1 4.46Å; L1-I3 HydrophobicContact CD2-CD1 4.02Å; L1-I3 HydrophobicContact CD2-CG1 3.78Å |
| 2 | P | 52.2 | Low | 39.5 | Very low | 125 Ų | 125 | 145.4 Ų | 145.4 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | | | cis | -64 | 161.7 | -9.3 | 29.7 | -35.1 | 0 | 0 | 0 | 111.3 | | |
| 3 | I | 38.8 | Very low | 38.8 | Very low | 101 Ų | 101 | 144.1 Ų | 144.1 | 52% | 0.518 | 75% | 0.751 | S | S | . | * | | | cis | 117.3 | 93.7 | 10.6 | -71.4 | 170.4 | 0 | 0 | 0 | 112.3 | L1 | L1-I3 HydrophobicContact CB-CD1 4.45Å; L1-I3 HydrophobicContact CB-CG1 4.46Å; L1-I3 HydrophobicContact CD2-CD1 4.02Å; L1-I3 HydrophobicContact CD2-CG1 3.78Å |
| 4 | R | 43.8 | Very low | 38.3 | Very low | 207 Ų | 207 | 145.1 Ų | 145.1 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | | | trans | 55.9 | 153.5 | 130.8 | -51.6 | 178.7 | -173.4 | 123.7 | -6.1 | 122.1 | | |
| 5 | K | 41.5 | Very low | 39.9 | Very low | 187 Ų | 187 | 142.9 Ų | 142.9 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | | | trans | 95.5 | 138.9 | 150.9 | -67 | -158 | 171.8 | -172 | 0 | 118.5 | | |
| 6 | T | 41.2 | Very low | 39.4 | Very low | 92 Ų | 92 | 142.2 Ų | 142.2 | 56% | 0.564 | 76% | 0.758 | S | S | * | * | | | cis | 171.6 | 152.8 | -44.6 | 34.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 7 | H | 35.2 | Very low | 38.8 | Very low | 169 Ų | 169 | 137.4 Ų | 137.4 | 78% | 0.782 | 75% | 0.751 | S | S | * | * | | | trans | 72.2 | 131.4 | 170.6 | -44.6 | -64.7 | 0 | 0 | 0 | 114.2 | | |
| 8 | S | 36.8 | Very low | 38.2 | Very low | 103 Ų | 103 | 141.9 Ų | 141.9 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | | | cis | 76.6 | 107.6 | 23.2 | -168.7 | 0 | 0 | 0 | 0 | 115.5 | | |
| 9 | E | 34.1 | Very low | 37.8 | Very low | 191 Ų | 191 | 143.6 Ų | 143.6 | 89% | 0.893 | 76% | 0.755 | S | S | * | * | | | trans | -149.5 | 131.6 | 140.3 | -123.4 | 161.3 | -139.6 | 0 | 0 | 110.3 | | |
| 10 | L | 38.9 | Very low | 37.6 | Very low | 138 Ų | 138 | 142.2 Ų | 142.2 | 72% | 0.723 | 76% | 0.758 | S | S | * | * | | | trans | -77.4 | 176 | 155.9 | -101.4 | 67.2 | 0 | 0 | 0 | 107 | | |
| 11 | D | 33.4 | Very low | 37.2 | Very low | 127 Ų | 127 | 140.5 Ų | 140.5 | 68% | 0.679 | 76% | 0.758 | S | S | * | * | | | cis | -172 | -179 | 43.1 | -140.2 | -31 | 0 | 0 | 0 | 112.5 | | |
| 12 | T | 32.8 | Very low | 36.6 | Very low | 112 Ų | 112 | 135.5 Ų | 135.5 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | | | trans | 13.5 | 148.9 | 156.6 | 49.1 | 0 | 0 | 0 | 0 | 121.5 | | |
| 13 | T | 31.4 | Very low | 35.9 | Very low | 128 Ų | 128 | 137.5 Ų | 137.5 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | | | | -171.1 | 160.7 | 64 | -44.5 | 0 | 0 | 0 | 0 | 113 | | |
| 14 | L | 31.6 | Very low | 35.6 | Very low | 159 Ų | 159 | 138.8 Ų | 138.8 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | | | trans | -92.8 | -149.2 | 169.4 | -69.3 | 168.1 | 0 | 0 | 0 | 111.8 | | |
| 15 | P | 61.6 | Low | 35.3 | Very low | 111 Ų | 111 | 137.2 Ų | 137.2 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | | | | -128.4 | 174.1 | -94 | 41 | -25.5 | 0 | 0 | 0 | 115.7 | | |
| 16 | T | 31.8 | Very low | 35 | Very low | 132 Ų | 132 | 133.9 Ų | 133.9 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | | | trans | -167.5 | 156.2 | 159.8 | 1.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 17 | G | 29.1 | Very low | 34.6 | Very low | 61 Ų | 61 | 133.1 Ų | 133.1 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | | | cis | 103.1 | 137.7 | 37 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 18 | W | 29.6 | Very low | 34.8 | Very low | 218 Ų | 218 | 132.4 Ų | 132.4 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | | | cis | -168.1 | 153.6 | 4.2 | -103.6 | -35.1 | 0 | 0 | 0 | 112.1 | | |
| 19 | F | 29.7 | Very low | 34.9 | Very low | 174 Ų | 174 | 134.2 Ų | 134.2 | 76% | 0.763 | 77% | 0.766 | S | S | * | * | | | trans | 57.7 | 152.9 | 145.9 | -68.6 | -58 | 0 | 0 | 0 | 125.8 | | |
| 20 | S | 33.3 | Very low | 34.6 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | | | trans | 83.8 | 153.2 | 151.1 | -65.8 | 0 | 0 | 0 | 0 | 120.8 | | |
| 21 | S | 30.2 | Very low | 34.1 | Very low | 107 Ų | 107 | 128.3 Ų | 128.3 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | | | cis | -176.7 | 152.7 | -31 | -168.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 22 | A | 31.9 | Very low | 33.8 | Very low | 88 Ų | 88 | 129 Ų | 129 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | trans | 43.9 | 122.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 23 | M | 36.9 | Very low | 34.2 | Very low | 166 Ų | 166 | 129.4 Ų | 129.4 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | | 83.4 | 119.9 | 51.4 | -160.8 | 165.4 | -163 | 0 | 0 | 113.9 | | |
| 24 | D | 33.2 | Very low | 34.8 | Very low | 128 Ų | 128 | 129 Ų | 129 | 68% | 0.684 | 76% | 0.762 | S | S | * | * | | | trans | 65.1 | 146.8 | 173.3 | -58.5 | -27.5 | 0 | 0 | 0 | 117.7 | | |
| 25 | H | 37.2 | Very low | 34.7 | Very low | 175 Ų | 175 | 126.4 Ų | 126.4 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | | | cis | -139.9 | 147.5 | 38.4 | -66.4 | -77.2 | 0 | 0 | 0 | 117.5 | | |
| 26 | S | 35.3 | Very low | 33.4 | Very low | 117 Ų | 117 | 125.9 Ų | 125.9 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | | | trans | -2.7 | 130.2 | 154.6 | 57.5 | 0 | 0 | 0 | 0 | 120.9 | | |
| 27 | G | 33.6 | Very low | 33.3 | Very low | 76 Ų | 76 | 125.5 Ų | 125.5 | 78% | 0.784 | 75% | 0.754 | S | S | * | * | | | trans | -143.2 | 49.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 28 | L | 39.1 | Very low | 33.4 | Very low | 154 Ų | 154 | 133 Ų | 133 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | | | trans | 68.1 | 125.1 | 158.2 | -59 | 176.4 | 0 | 0 | 0 | 121.5 | | |
| 29 | L | 38.3 | Very low | 33.5 | Very low | 140 Ų | 140 | 129.3 Ų | 129.3 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | | | trans | 63 | 108 | 133.3 | -58.4 | 175.6 | 0 | 0 | 0 | 119.1 | | |
| 30 | C | 27.8 | Very low | 33.6 | Very low | 111 Ų | 111 | 124.4 Ų | 124.4 | 75% | 0.75 | 76% | 0.758 | S | S | * | * | | | | 86.1 | 136.7 | 88.4 | -77.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 31 | S | 28.8 | Very low | 34.6 | Very low | 94 Ų | 94 | 124 Ų | 124 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | | | cis | -154.4 | 150.5 | 1 | -89.7 | 0 | 0 | 0 | 0 | 113 | | |
| 32 | N | 27.4 | Very low | 34.7 | Very low | 142 Ų | 142 | 129 Ų | 129 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | | | trans | 24.2 | 132.3 | 140.2 | -53.7 | 0.3 | 0 | 0 | 0 | 121.7 | | |
| 33 | T | 40.5 | Very low | 34.7 | Very low | 121 Ų | 121 | 128 Ų | 128 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | | | | 3.7 | 155.9 | 109.5 | 44.7 | 0 | 0 | 0 | 0 | 118.4 | | |
| 34 | P | 43.8 | Very low | 34.5 | Very low | 119 Ų | 119 | 126.3 Ų | 126.3 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | | | cis | -128.7 | -152.9 | 36.2 | 25.8 | 2.1 | 0 | 0 | 0 | 111.3 | | |
| 35 | S | 29.6 | Very low | 35 | Very low | 104 Ų | 104 | 126 Ų | 126 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | cis | -155.1 | 161 | 16.6 | -49.9 | 0 | 0 | 0 | 0 | 114 | | |
| 36 | S | 34.5 | Very low | 34.7 | Very low | 100 Ų | 100 | 126.8 Ų | 126.8 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | | | trans | -82 | 171.1 | 153.7 | 58.4 | 0 | 0 | 0 | 0 | 111 | | |
| 37 | T | 30.1 | Very low | 34.9 | Very low | 124 Ų | 124 | 126.2 Ų | 126.2 | 76% | 0.761 | 77% | 0.765 | S | S | * | * | | | trans | -176.6 | 107 | 139.3 | -78.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 38 | W | 30.5 | Very low | 35.5 | Very low | 220 Ų | 220 | 128.4 Ų | 128.4 | 83% | 0.833 | 77% | 0.765 | S | S | * | * | | | trans | 54.1 | 157.4 | 134.5 | -73.1 | 56.6 | 0 | 0 | 0 | 125.3 | | |
| 39 | N | 32 | Very low | 35.1 | Very low | 140 Ų | 140 | 125.8 Ų | 125.8 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | | | trans | 79.5 | 114.3 | 155.9 | -64.7 | -35.3 | 0 | 0 | 0 | 121.2 | | |
| 40 | G | 32.5 | Very low | 34.8 | Very low | 71 Ų | 71 | 123.8 Ų | 123.8 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | | | trans | -97.8 | -146.2 | 147.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 41 | P | 53.4 | Low | 34.9 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | | | cis | -126.3 | -173.8 | -6.7 | 41.3 | -26.2 | 0 | 0 | 0 | 113.1 | | |
| 42 | K | 31.7 | Very low | 34.9 | Very low | 210 Ų | 210 | 131.4 Ų | 131.4 | 91% | 0.913 | 79% | 0.786 | S | S | * | * | | | trans | 71.9 | 156.9 | -176.9 | -44.7 | 153.4 | -173.8 | 171.4 | 0 | 111.5 | | |
| 43 | G | 33.3 | Very low | 35 | Very low | 67 Ų | 67 | 131.5 Ų | 131.5 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | | | cis | 162.8 | 179.2 | -6.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 44 | S | 32.8 | Very low | 34.5 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | | | trans | 74.5 | 164.6 | 170.9 | -152.5 | 0 | 0 | 0 | 0 | 118.8 | | |
| 45 | T | 43.4 | Very low | 33.8 | Very low | 123 Ų | 123 | 133.8 Ų | 133.8 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | trans | -119.8 | 127.9 | 178.7 | -63.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 46 | F | 31.3 | Very low | 33.8 | Very low | 190 Ų | 190 | 136.8 Ų | 136.8 | 83% | 0.833 | 79% | 0.786 | S | S | * | * | | | trans | -171.3 | 160.6 | 143.6 | -128.9 | -117.7 | 0 | 0 | 0 | 112.2 | | |
| 47 | S | 39.4 | Very low | 33.7 | Very low | 106 Ų | 106 | 139.7 Ų | 139.7 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | | | trans | -123.4 | 142.5 | 153.8 | -50.6 | 0 | 0 | 0 | 0 | 106.3 | | |
| 48 | P | 45.3 | Very low | 33.7 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | | | | -147.8 | -175.4 | 92.6 | 38.6 | -20.6 | 0 | 0 | 0 | 114.5 | | |
| 49 | A | 30.8 | Very low | 34 | Very low | 99 Ų | 99 | 136.6 Ų | 136.6 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -73.1 | 164 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 50 | A | 31.6 | Very low | 34.1 | Very low | 97 Ų | 97 | 134.3 Ų | 134.3 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | | | trans | -160.7 | 162.5 | 133.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 51 | W | 30.6 | Very low | 34.3 | Very low | 245 Ų | 245 | 140.6 Ų | 140.6 | 93% | 0.928 | 78% | 0.778 | S | S | * | * | | | trans | -78.2 | 163.3 | -173.3 | -52.9 | -78.5 | 0 | 0 | 0 | 116 | | |
| 52 | S | 28.6 | Very low | 33.2 | Very low | 120 Ų | 120 | 138.6 Ų | 138.6 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | | | trans | -153.6 | 130.6 | 134.1 | 61.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 53 | E | 29.9 | Very low | 34 | Very low | 144 Ų | 144 | 134.7 Ų | 134.7 | 67% | 0.673 | 77% | 0.773 | S | S | * | * | | | trans | -105.7 | 152.8 | -179.4 | -57.7 | 168.3 | 115 | 0 | 0 | 112.3 | Y55 | E53-Y55 HydrophobicContact CB-CD2 4.19Š|
| 54 | T | 29.5 | Very low | 33.9 | Very low | 142 Ų | 142 | 135.8 Ų | 135.8 | 87% | 0.871 | 78% | 0.775 | S | S | * | * | | | trans | -154.5 | 106.1 | 147.2 | -26.3 | 0 | 0 | 0 | 0 | 107.9 | | |
| 55 | Y | 28.9 | Very low | 33.9 | Very low | 147 Ų | 147 | 136 Ų | 136 | 58% | 0.576 | 77% | 0.77 | S | S | * | * | | | | 72.2 | 113.3 | 61.1 | -91.1 | -68.6 | 0 | 0 | 0 | 117.3 | E53 Y57 | E53-Y55 HydrophobicContact CB-CD2 4.19Å; Y55-Y57 AromaticContact CD1-CD2 3.44Å; Y55-Y57 HydrophobicContact CD1-CD2 3.44Å; Y55-Y57 VanDerWaalsContact CD1-CD2 3.44Å; Y55-Y57 AromaticContact CD1-CE2 3.8Å; Y55-Y57 HydrophobicContact CD1-CE2 3.8Å; Y55-Y57 HydrophobicContact CD1-CG 4.49Å; Y55-Y57 AromaticContact CE1-CD2 3.72Å; Y55-Y57 HydrophobicContact CE1-CD2 3.72Å; Y55-Y57 AromaticContact CE1-CE2 3.6Å; Y55-Y57 HydrophobicContact CE1-CE2 3.6Å; Y55-Y57 HydrophobicContact CG-CD2 4.42Å |
| 56 | N | 30.6 | Very low | 34.5 | Very low | 166 Ų | 166 | 135.4 Ų | 135.4 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | | | trans | -172.7 | 97.6 | 155.6 | -95.3 | -52.9 | 0 | 0 | 0 | 105.3 | | |
| 57 | Y | 31.5 | Very low | 35.3 | Very low | 162 Ų | 162 | 131.3 Ų | 131.3 | 64% | 0.635 | 76% | 0.761 | S | S | * | * | | | cis | 82.8 | 92 | 41.8 | -117.7 | -59.2 | 0 | 0 | 0 | 115.7 | Y55 M59 | Y55-Y57 AromaticContact CD1-CD2 3.44Å; Y55-Y57 HydrophobicContact CD1-CD2 3.44Å; Y55-Y57 VanDerWaalsContact CD1-CD2 3.44Å; Y55-Y57 AromaticContact CD1-CE2 3.8Å; Y55-Y57 HydrophobicContact CD1-CE2 3.8Å; Y55-Y57 HydrophobicContact CD1-CG 4.49Å; Y55-Y57 AromaticContact CE1-CD2 3.72Å; Y55-Y57 HydrophobicContact CE1-CD2 3.72Å; Y55-Y57 AromaticContact CE1-CE2 3.6Å; Y55-Y57 HydrophobicContact CE1-CE2 3.6Å; Y55-Y57 HydrophobicContact CG-CD2 4.42Å; Y57-M59 HydrophobicContact CE1-CG 4.46Å |
| 58 | N | 30.3 | Very low | 34.9 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | | -177.7 | 120.9 | 127.2 | -91.9 | -21.7 | 0 | 0 | 0 | 109.6 | | |
| 59 | M | 36.4 | Very low | 34.2 | Very low | 143 Ų | 143 | 139 Ų | 139 | 70% | 0.704 | 77% | 0.772 | S | S | * | * | | | | 71 | 133.8 | 77.3 | -74.8 | -172.1 | 62.6 | 0 | 0 | 113.6 | Y57 | Y57-M59 HydrophobicContact CE1-CG 4.46Š|
| 60 | S | 33.7 | Very low | 34.3 | Very low | 92 Ų | 92 | 141.8 Ų | 141.8 | 64% | 0.643 | 77% | 0.767 | S | S | * | * | | | cis | -160.9 | -169.1 | -6.9 | 55.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 61 | K | 37.5 | Very low | 34.1 | Very low | 203 Ų | 203 | 141.4 Ų | 141.4 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | | | cis | -164.7 | 164.8 | 15.1 | -148.1 | 165.4 | -176 | 175 | 0 | 109.9 | | |
| 62 | G | 30.1 | Very low | 34.1 | Very low | 66 Ų | 66 | 135.5 Ų | 135.5 | 68% | 0.68 | 75% | 0.75 | S | S | * | * | | | trans | -165.4 | 146.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 63 | P | 48.5 | Very low | 34.1 | Very low | 128 Ų | 128 | 138 Ų | 138 | 83% | 0.831 | 75% | 0.752 | S | S | * | * | | | trans | -106.4 | 144.2 | -163.8 | 38 | -34.3 | 0 | 0 | 0 | 118.6 | | |
| 64 | A | 31.1 | Very low | 34.2 | Very low | 89 Ų | 89 | 134.7 Ų | 134.7 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | | | trans | 24.4 | 117.9 | 145.4 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 65 | V | 32.6 | Very low | 34.2 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | cis | 60.3 | 133.2 | 49.4 | -169.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 66 | P | 56.9 | Low | 34.4 | Very low | 111 Ų | 111 | 135.2 Ų | 135.2 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | | | cis | -133 | -139.6 | -26 | 43.6 | -23.7 | 0 | 0 | 0 | 110.5 | | |
| 67 | P | 47.2 | Very low | 34.2 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | | | cis | -134.4 | 176.7 | -23.9 | 40.3 | -22.1 | 0 | 0 | 0 | 117.1 | | |
| 68 | K | 31.2 | Very low | 34.1 | Very low | 197 Ų | 197 | 126.3 Ų | 126.3 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | | | trans | 25.7 | 124.9 | 148.7 | -64.6 | 177.2 | 178.3 | 179.4 | 0 | 121.2 | | |
| 69 | H | 31.5 | Very low | 34.4 | Very low | 192 Ų | 192 | 126.7 Ų | 126.7 | 89% | 0.889 | 77% | 0.768 | S | S | * | * | | | | -158.1 | -174.7 | 111.1 | -149.2 | -110.8 | 0 | 0 | 0 | 113.2 | | |
| 70 | H | 31.7 | Very low | 34.5 | Very low | 157 Ų | 157 | 127.2 Ų | 127.2 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | trans | -105.4 | 166.3 | -168.6 | -144.2 | -93.8 | 0 | 0 | 0 | 112.9 | | |
| 71 | S | 28.6 | Very low | 34.5 | Very low | 89 Ų | 89 | 129.9 Ų | 129.9 | 62% | 0.622 | 78% | 0.776 | S | S | * | * | | | trans | 82.8 | 127.4 | 147.6 | -72.4 | 0 | 0 | 0 | 0 | 122.9 | | |
| 72 | V | 29.7 | Very low | 34.3 | Very low | 122 Ų | 122 | 123.7 Ų | 123.7 | 74% | 0.739 | 77% | 0.77 | S | S | * | * | | | | 90.2 | 126.9 | 121.4 | 166.6 | 0 | 0 | 0 | 0 | 121.9 | | |
| 73 | I | 29.6 | Very low | 34.6 | Very low | 172 Ų | 172 | 126.9 Ų | 126.9 | 88% | 0.882 | 78% | 0.776 | S | S | * | * | | | trans | 65.3 | 142 | 156.7 | -74.6 | 164.4 | 0 | 0 | 0 | 119.4 | | |
| 74 | G | 30.5 | Very low | 33.9 | Very low | 75 Ų | 75 | 128.3 Ų | 128.3 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | | | trans | 169 | 97 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 75 | H | 30.6 | Very low | 34 | Very low | 196 Ų | 196 | 131 Ų | 131 | 91% | 0.907 | 78% | 0.775 | S | S | * | * | | | trans | -93.6 | 164 | 174 | -110.8 | -56.4 | 0 | 0 | 0 | 111.6 | | |
| 76 | A | 31.9 | Very low | 34.1 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | | | trans | 65.1 | 157.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 77 | G | 28.2 | Very low | 32.9 | Very low | 69 Ų | 69 | 129.4 Ų | 129.4 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | cis | 165.5 | 116.7 | -6.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 78 | G | 28.9 | Very low | 32.3 | Very low | 71 Ų | 71 | 130 Ų | 130 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | | | | 107.5 | -170.6 | 102.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 79 | I | 35.6 | Very low | 32.4 | Very low | 144 Ų | 144 | 124 Ų | 124 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | | | trans | 41.8 | 114.6 | 161.2 | 36.6 | 173.9 | 0 | 0 | 0 | 118 | | |
| 80 | Q | 39.4 | Very low | 32.3 | Very low | 155 Ų | 155 | 123.6 Ų | 123.6 | 72% | 0.724 | 77% | 0.766 | S | S | * | * | | | cis | -148 | 154.4 | 37 | -82.9 | 118.8 | 114.7 | 0 | 0 | 113.5 | | |
| 81 | D | 32.9 | Very low | 32.2 | Very low | 148 Ų | 148 | 120.7 Ų | 120.7 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | | 19.9 | 136.3 | 128.2 | -38.1 | -45.6 | 0 | 0 | 0 | 117.6 | | |
| 82 | G | 33.7 | Very low | 32.4 | Very low | 73 Ų | 73 | 122.6 Ų | 122.6 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | | | cis | 142.2 | 174.3 | 34.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 83 | V | 35.5 | Very low | 32.3 | Very low | 132 Ų | 132 | 121.6 Ų | 121.6 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | | | cis | -154.8 | 153.8 | 10.3 | -84.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 84 | M | 35.1 | Very low | 32.5 | Very low | 158 Ų | 158 | 117.3 Ų | 117.3 | 78% | 0.778 | 76% | 0.755 | S | S | * | * | | | trans | 65.8 | 130.8 | 160.7 | -65.2 | -48.1 | -160.3 | 0 | 0 | 119 | | |
| 85 | L | 32.3 | Very low | 32.7 | Very low | 146 Ų | 146 | 122.4 Ų | 122.4 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | | | | 74.9 | 144 | 72.2 | -118.6 | 76.2 | 0 | 0 | 0 | 112.3 | | |
| 86 | V | 35.4 | Very low | 32.7 | Very low | 107 Ų | 107 | 118.7 Ų | 118.7 | 65% | 0.648 | 76% | 0.755 | S | S | * | * | | | cis | -158.7 | 146.4 | 18.7 | 66.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 87 | S | 31.9 | Very low | 33.1 | Very low | 106 Ų | 106 | 118.7 Ų | 118.7 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | | | trans | 52.9 | 164.2 | 149.5 | -70.3 | 0 | 0 | 0 | 0 | 121.3 | | |
| 88 | S | 34.4 | Very low | 33.4 | Very low | 118 Ų | 118 | 120 Ų | 120 | 83% | 0.825 | 75% | 0.747 | S | S | * | * | | | cis | -152 | 167.6 | -8.5 | -115.6 | 0 | 0 | 0 | 0 | 107.6 | | |
| 89 | G | 32.9 | Very low | 33.5 | Very low | 70 Ų | 70 | 125.1 Ų | 125.1 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | | | cis | -172.8 | 176.8 | 2.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 90 | Q | 29 | Very low | 33.5 | Very low | 183 Ų | 183 | 124 Ų | 124 | 86% | 0.855 | 75% | 0.749 | S | S | * | * | | | trans | -117.1 | 171.3 | -170.2 | -58 | 177.5 | -17 | 0 | 0 | 113.6 | | |
| 91 | S | 29.4 | Very low | 32.8 | Very low | 97 Ų | 97 | 122 Ų | 122 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | | | trans | 74.3 | 156.7 | 145.9 | -64.8 | 0 | 0 | 0 | 0 | 118 | | |
| 92 | V | 32.5 | Very low | 32.5 | Very low | 129 Ų | 129 | 121.3 Ų | 121.3 | 78% | 0.782 | 75% | 0.752 | S | S | * | * | | | cis | -159.2 | 164.5 | -8.3 | -105.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 93 | S | 28.8 | Very low | 32.4 | Very low | 101 Ų | 101 | 124.9 Ų | 124.9 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | | | trans | 6.2 | 156.7 | 132.7 | -152.3 | 0 | 0 | 0 | 0 | 120.7 | | |
| 94 | S | 33.8 | Very low | 32 | Very low | 81 Ų | 81 | 125.9 Ų | 125.9 | 57% | 0.566 | 76% | 0.76 | S | S | * | * | | | cis | -175.7 | 165.6 | -24.6 | -75.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 95 | H | 33.6 | Very low | 32.8 | Very low | 182 Ų | 182 | 123.1 Ų | 123.1 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | | | trans | 71.8 | 179.6 | 171.8 | -45.8 | -68.5 | 0 | 0 | 0 | 115.1 | | |
| 96 | S | 31.3 | Very low | 32.8 | Very low | 119 Ų | 119 | 123 Ų | 123 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | | | cis | -151.9 | -164.2 | 10.9 | -158.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 97 | S | 39.7 | Very low | 32.5 | Very low | 103 Ų | 103 | 121.6 Ų | 121.6 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | | | trans | -132.6 | 165.8 | -170.9 | 58.3 | 0 | 0 | 0 | 0 | 115.4 | | |
| 98 | S | 35.7 | Very low | 32.6 | Very low | 97 Ų | 97 | 127.4 Ų | 127.4 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | | | trans | -169.5 | 174.8 | 157.1 | -73.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 99 | F | 30.8 | Very low | 32.5 | Very low | 178 Ų | 178 | 127.9 Ų | 127.9 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | | | cis | -143.7 | 141.2 | 10.6 | -86.2 | -67.8 | 0 | 0 | 0 | 108.2 | | |
| 100 | T | 34.6 | Very low | 32.3 | Very low | 120 Ų | 120 | 128.3 Ų | 128.3 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | | | | 56.1 | 146.6 | 86.1 | 75.8 | 0 | 0 | 0 | 0 | 117.3 | | |
| 101 | C | 25.5 | Very low | 32.7 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | | | cis | -143.3 | 148.5 | 4.6 | 35.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 102 | V | 26.6 | Very low | 32.8 | Very low | 133 Ų | 133 | 126.9 Ų | 126.9 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | | | | 78.1 | 101.4 | 54 | -179.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 103 | T | 31.5 | Very low | 32.6 | Very low | 148 Ų | 148 | 124.8 Ų | 124.8 | 91% | 0.908 | 79% | 0.789 | S | S | * | * | | | trans | -156.6 | 151.5 | 146.6 | 13.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 104 | D | 27.6 | Very low | 32.7 | Very low | 152 Ų | 152 | 126.2 Ų | 126.2 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | | | trans | -124.3 | -177.9 | -173 | -114.8 | -44.2 | 0 | 0 | 0 | 109 | | |
| 105 | P | 52.2 | Low | 32.4 | Very low | 101 Ų | 101 | 125.7 Ų | 125.7 | 66% | 0.656 | 81% | 0.806 | S | S | * | * | | | cis | -135.1 | -164.4 | -16.8 | 32.9 | -11 | 0 | 0 | 0 | 113.4 | | |
| 106 | T | 31.2 | Very low | 32.4 | Very low | 143 Ų | 143 | 125.4 Ų | 125.4 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | | | trans | 95.3 | 133.6 | 155.3 | -41.4 | 0 | 0 | 0 | 0 | 118.2 | | |
| 107 | G | 29.4 | Very low | 32.4 | Very low | 77 Ų | 77 | 124.8 Ų | 124.8 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | | | trans | 145.3 | 122.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 108 | R | 33.3 | Very low | 32.8 | Very low | 228 Ų | 228 | 125.3 Ų | 125.3 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | | | trans | -133.3 | 135.2 | -178.8 | -179.9 | 176.3 | 177.4 | -109.1 | 6.8 | 111.2 | | |
| 109 | T | 32.9 | Very low | 33.6 | Very low | 129 Ų | 129 | 126 Ų | 126 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | | | trans | 61.2 | 129.2 | 168 | 43.7 | 0 | 0 | 0 | 0 | 119 | | |
| 110 | G | 29.9 | Very low | 33.4 | Very low | 79 Ų | 79 | 123.3 Ų | 123.3 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | | | trans | -168 | 142.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 111 | N | 36 | Very low | 33.4 | Very low | 171 Ų | 171 | 123.9 Ų | 123.9 | 91% | 0.914 | 81% | 0.809 | S | S | * | * | | | trans | -149.4 | 133.2 | -169.2 | -173.9 | 49.1 | 0 | 0 | 0 | 112.7 | | |
| 112 | G | 31.8 | Very low | 33.9 | Very low | 78 Ų | 78 | 123.9 Ų | 123.9 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | 85.2 | 144 | 167.7 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 113 | G | 27.4 | Very low | 34.2 | Very low | 86 Ų | 86 | 124.3 Ų | 124.3 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | | | trans | 179 | 135.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 114 | S | 31.6 | Very low | 34.2 | Very low | 131 Ų | 131 | 120.3 Ų | 120.3 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | | | trans | -110.2 | 158.6 | -172.3 | -161.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 115 | G | 27.9 | Very low | 34.5 | Very low | 69 Ų | 69 | 122.9 Ų | 122.9 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | | | trans | -89 | -171.8 | -166 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 116 | I | 32.6 | Very low | 33.7 | Very low | 177 Ų | 177 | 129.6 Ų | 129.6 | 91% | 0.908 | 81% | 0.812 | S | S | * | * | | | trans | -145.2 | 147.7 | 178.4 | -33.5 | 176 | 0 | 0 | 0 | 110.3 | | |
| 117 | S | 31.5 | Very low | 33.9 | Very low | 106 Ų | 106 | 132.3 Ų | 132.3 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | | | trans | -151.9 | 159.4 | 166 | 64.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 118 | P | 49.7 | Very low | 34.1 | Very low | 114 Ų | 114 | 135 Ų | 135 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | | | | -146.9 | -138.4 | 65.9 | 42.2 | -19.3 | 0 | 0 | 0 | 110.4 | | |
| 119 | P | 51.1 | Low | 34.2 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | | | cis | -118.8 | 150.7 | -22.5 | 30.7 | -10.2 | 0 | 0 | 0 | 114.4 | | |
| 120 | V | 28 | Very low | 34.1 | Very low | 121 Ų | 121 | 133 Ų | 133 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | | | | 75.5 | 109.4 | 69 | -179.3 | 0 | 0 | 0 | 0 | 117.1 | T122 | V120-T122 HydrophobicContact CG1-CG2 4.41Š|
| 121 | V | 34.3 | Very low | 34.2 | Very low | 133 Ų | 133 | 132.8 Ų | 132.8 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | | | trans | -164 | 106.4 | 140.9 | -93.3 | 0 | 0 | 0 | 0 | 107.8 | | |
| 122 | T | 35 | Very low | 34.1 | Very low | 115 Ų | 115 | 129.4 Ų | 129.4 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | | | | 67.1 | 135.3 | 79.6 | 60.9 | 0 | 0 | 0 | 0 | 115.7 | V120 | V120-T122 HydrophobicContact CG1-CG2 4.41Š|
| 123 | V | 32.4 | Very low | 35.1 | Very low | 142 Ų | 142 | 131.3 Ų | 131.3 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | | | cis | -167.2 | 161.1 | -7.7 | 116 | 0 | 0 | 0 | 0 | 107.6 | | |
| 124 | G | 32.7 | Very low | 35.4 | Very low | 63 Ų | 63 | 131.9 Ų | 131.9 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | | | cis | 143.2 | 68 | -1.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 125 | K | 34.3 | Very low | 35.5 | Very low | 207 Ų | 207 | 133.4 Ų | 133.4 | 90% | 0.9 | 79% | 0.785 | S | S | * | * | | | trans | -143.6 | 141.4 | 172.7 | -81.5 | 176.1 | 179.2 | 169.1 | 0 | 110.4 | | |
| 126 | R | 34.3 | Very low | 35.7 | Very low | 242 Ų | 242 | 133.5 Ų | 133.5 | 91% | 0.913 | 79% | 0.786 | S | S | * | * | | | cis | -120 | 162.1 | 3 | -92.5 | -179 | 169.2 | -109.4 | 5 | 112.6 | | |
| 127 | R | 35.4 | Very low | 35.6 | Very low | 199 Ų | 199 | 128.4 Ų | 128.4 | 75% | 0.751 | 78% | 0.777 | S | S | * | * | | | trans | -104.6 | 178 | 179.1 | -77.3 | 164.9 | 166 | -101.5 | -3.5 | 110.1 | | |
| 128 | E | 33.7 | Very low | 35.7 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 62% | 0.621 | 79% | 0.788 | S | S | * | * | | | cis | -163.4 | 163.1 | -19.3 | -98.6 | 156.2 | 160 | 0 | 0 | 103.5 | | |
| 129 | T | 36.1 | Very low | 34.8 | Very low | 132 Ų | 132 | 134.2 Ų | 134.2 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | | | | -176.4 | -147.9 | 73.6 | 47.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 130 | E | 30.6 | Very low | 33.8 | Very low | 183 Ų | 183 | 132.7 Ų | 132.7 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | | | | -169.5 | 160.9 | -90.6 | -172.1 | 160.6 | -136.7 | 0 | 0 | 110.8 | | |
| 131 | G | 31.9 | Very low | 34 | Very low | 76 Ų | 76 | 130.9 Ų | 130.9 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | | | trans | 106.5 | 126.2 | 153.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 132 | A | 34.8 | Very low | 34.1 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -124.5 | 174.7 | 146.6 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 133 | P | 51.1 | Low | 34 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | | | cis | -144.2 | -152.9 | 20.3 | 44.5 | -22.6 | 0 | 0 | 0 | 114.5 | | |
| 134 | A | 35.3 | Very low | 34.2 | Very low | 98 Ų | 98 | 130.1 Ų | 130.1 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | | | trans | 65.3 | 174.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 135 | D | 32.8 | Very low | 34.3 | Very low | 162 Ų | 162 | 129.8 Ų | 129.8 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | | | cis | -162.4 | 151.6 | -45.1 | 175.1 | 34.7 | 0 | 0 | 0 | 106.8 | | |
| 136 | G | 31.9 | Very low | 34.4 | Very low | 71 Ų | 71 | 129.9 Ų | 129.9 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | | | trans | 66.4 | 171.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 137 | G | 30.7 | Very low | 34.4 | Very low | 70 Ų | 70 | 121.4 Ų | 121.4 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | | | cis | 167.3 | 128.3 | -12 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 138 | R | 33.7 | Very low | 34.6 | Very low | 257 Ų | 257 | 122.2 Ų | 122.2 | 97% | 0.97 | 79% | 0.792 | S | S | * | * | | | trans | 65.3 | 127.7 | 163.3 | -62.3 | 173.4 | 166.4 | -95.8 | -0.5 | 120.1 | | |
| 139 | G | 31.6 | Very low | 34.6 | Very low | 85 Ų | 85 | 122.8 Ų | 122.8 | 88% | 0.876 | 80% | 0.795 | S | S | * | * | | | trans | 86.4 | 155.2 | 150.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 140 | G | 29.6 | Very low | 34.6 | Very low | 79 Ų | 79 | 127 Ų | 127 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | | | cis | 160.5 | 110 | -11.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 141 | G | 32.1 | Very low | 35 | Very low | 83 Ų | 83 | 124 Ų | 124 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | | | trans | 77.7 | 161.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 142 | A | 35.8 | Very low | 35.1 | Very low | 98 Ų | 98 | 124.3 Ų | 124.3 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | | | cis | -149.9 | 123.9 | -15.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 143 | E | 33.7 | Very low | 35.4 | Very low | 170 Ų | 170 | 130 Ų | 130 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | | | | 42.4 | 102.3 | 100.7 | -164.4 | -178.6 | -178.3 | 0 | 0 | 117.5 | | |
| 144 | A | 37.2 | Very low | 35.1 | Very low | 106 Ų | 106 | 130.6 Ų | 130.6 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | | | | -171.6 | 129.8 | 128.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 145 | G | 33.2 | Very low | 35.5 | Very low | 56 Ų | 56 | 133.2 Ų | 133.2 | 58% | 0.577 | 80% | 0.796 | S | S | * | * | | | cis | 172.3 | 150 | -16.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 146 | R | 37.2 | Very low | 35.8 | Very low | 209 Ų | 209 | 129.5 Ų | 129.5 | 79% | 0.789 | 79% | 0.789 | S | S | * | * | | | trans | 71.6 | 150.4 | 162.7 | -40.8 | -165.1 | -166.4 | -49.9 | 3.4 | 117.1 | | |
| 147 | G | 34.9 | Very low | 36.5 | Very low | 65 Ų | 65 | 131.3 Ų | 131.3 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | | | cis | -94.4 | 156.3 | -15.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 148 | R | 38.7 | Very low | 36.9 | Very low | 216 Ų | 216 | 136.1 Ų | 136.1 | 82% | 0.815 | 80% | 0.8 | S | S | * | * | | | | 55.1 | 130.8 | 60.2 | -59.6 | -161.6 | -170.9 | -73.3 | 4.9 | 111.8 | | |
| 149 | Q | 34.7 | Very low | 37.3 | Very low | 144 Ų | 144 | 131.9 Ų | 131.9 | 67% | 0.673 | 80% | 0.797 | S | S | * | * | | | cis | -157 | 133.4 | 28.9 | -168.6 | 168.1 | 3.8 | 0 | 0 | 113.8 | | |
| 150 | R | 35.4 | Very low | 37.5 | Very low | 221 Ų | 221 | 131.8 Ų | 131.8 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | | | trans | 45.4 | 137.8 | 152.1 | -61.1 | 173.3 | -176.8 | 159.8 | -0.6 | 118.5 | | |
| 151 | S | 39.2 | Very low | 38 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | cis | -155.7 | 161.1 | 47.7 | -162.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 152 | A | 33.3 | Very low | 38.2 | Very low | 84 Ų | 84 | 142.5 Ų | 142.5 | 69% | 0.694 | 79% | 0.789 | S | S | * | * | | | trans | -89 | 143.2 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 153 | R | 42.4 | Very low | 38.4 | Very low | 218 Ų | 218 | 145.9 Ų | 145.9 | 82% | 0.823 | 79% | 0.785 | S | S | * | * | | | trans | -178.6 | 57.4 | 134.2 | -98.4 | 166.4 | -163.8 | -80.9 | 2.8 | 113.1 | I155 | R153-I155 PolarHBondContact O-N 3.43Š|
| 154 | S | 43.9 | Very low | 38.7 | Very low | 132 Ų | 132 | 146.9 Ų | 146.9 | 92% | 0.923 | 78% | 0.782 | S | S | * | * | | | trans | -76 | 35.7 | 165.8 | -155 | 0 | 0 | 0 | 0 | 112.9 | | |
| 155 | I | 44.2 | Very low | 38.6 | Very low | 152 Ų | 152 | 150.1 Ų | 150.1 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | | | trans | -144.4 | 75.4 | 174.5 | -51.7 | -179.3 | 0 | 0 | 0 | 107.4 | R153 | R153-I155 PolarHBondContact O-N 3.43Š|
| 156 | A | 39.3 | Very low | 38.9 | Very low | 85 Ų | 85 | 156 Ų | 156 | 70% | 0.702 | 78% | 0.784 | S | S | * | * | | | trans | -151.6 | -1.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q158 | A156-Q158 VanDerWaalsContact C-N 3.35Š|
| 157 | A | 46.7 | Very low | 38.8 | Very low | 108 Ų | 108 | 150.7 Ų | 150.7 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | | | trans | -94.3 | 19.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 158 | Q | 39.1 | Very low | 38.9 | Very low | 172 Ų | 172 | 155.1 Ų | 155.1 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -113.7 | 128.7 | 170.7 | -68.1 | -173.3 | -4.4 | 0 | 0 | 109.1 | A156 | A156-Q158 VanDerWaalsContact C-N 3.35Š|
| 159 | N | 40.4 | Very low | 38.7 | Very low | 168 Ų | 168 | 148.8 Ų | 148.8 | 90% | 0.898 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 66.3 | 73.1 | -177.8 | -61.2 | -47.2 | 0 | 0 | 0 | 117 | | |
| 160 | A | 36.4 | Very low | 38.6 | Very low | 83 Ų | 83 | 148.3 Ų | 148.3 | 69% | 0.686 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -138.8 | 128.1 | 149.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 161 | F | 40.5 | Very low | 38.8 | Very low | 182 Ų | 182 | 142.6 Ų | 142.6 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | | | trans | 42.2 | 72.2 | 165.4 | -58.2 | -72.5 | 0 | 0 | 0 | 119.2 | F163 | F161-F163 VanDerWaalsContact C-N 3.27Å; F161-F163 HydrophobicContact CD1-CD2 4.44Å; F161-F163 PolarHBondContact O-N 2.8Å |
| 162 | K | 36.9 | Very low | 38.7 | Very low | 205 Ų | 205 | 143.7 Ų | 143.7 | 89% | 0.891 | 78% | 0.775 | S | S | * | * | | | trans | -60.7 | 92 | 142.2 | -68.4 | -179.1 | 179.7 | 180 | 0 | 108.5 | R164 | K162-R164 VanDerWaalsContact C-N 3.26Å; K162-R164 PolarHBondContact O-N 3.13Å |
| 163 | F | 39.5 | Very low | 38.5 | Very low | 168 Ų | 168 | 146 Ų | 146 | 74% | 0.737 | 78% | 0.776 | S | S | * | * | | | trans | -76.5 | 83.6 | 177 | -137.5 | -84.5 | 0 | 0 | 0 | 110.5 | F161 E165 | F161-F163 VanDerWaalsContact C-N 3.27Å; F161-F163 HydrophobicContact CD1-CD2 4.44Å; F161-F163 PolarHBondContact O-N 2.8Å; F163-E165 PolarHBondContact O-N 2.46Å |
| 164 | R | 39.1 | Very low | 37.9 | Very low | 192 Ų | 192 | 140.7 Ų | 140.7 | 73% | 0.725 | 77% | 0.772 | S | S | * | * | | | trans | -51.7 | 107.5 | 174 | -179.9 | -177.1 | -169.6 | -121.9 | 5.3 | 109.8 | K162 R166 | K162-R164 VanDerWaalsContact C-N 3.26Å; K162-R164 PolarHBondContact O-N 3.13Å; R164-R166 PolarHBondContact O-N 3.39Å |
| 165 | E | 35.7 | Very low | 37.2 | Very low | 174 Ų | 174 | 137.8 Ų | 137.8 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | | | trans | -55.3 | 115.6 | 169.4 | -66.8 | -166.9 | 163.3 | 0 | 0 | 108.7 | F163 S167 | F163-E165 PolarHBondContact O-N 2.46Å; E165-S167 PolarHBondContact O-N 2.93Å |
| 166 | R | 38.7 | Very low | 36.5 | Very low | 179 Ų | 179 | 135.5 Ų | 135.5 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | | | trans | -83.3 | 71.4 | 178.4 | -79.2 | -174.3 | 171.5 | 84.9 | -10.5 | 109.5 | R164 L168 | R164-R166 PolarHBondContact O-N 3.39Å; R166-L168 PolarHBondContact O-N 3.35Å |
| 167 | S | 35.5 | Very low | 35.9 | Very low | 98 Ų | 98 | 141 Ų | 141 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | | | trans | -60.7 | 88.9 | 151.6 | -66.2 | 0 | 0 | 0 | 0 | 108.1 | E165 S169 | E165-S167 PolarHBondContact O-N 2.93Å; S167-S169 PolarHBondContact O-N 3.35Å |
| 168 | L | 38.3 | Very low | 35.1 | Very low | 158 Ų | 158 | 141.5 Ų | 141.5 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | | | trans | -77.5 | 73.9 | 166.3 | -75.7 | 178.8 | 0 | 0 | 0 | 108.6 | R166 | R166-L168 PolarHBondContact O-N 3.35Š|
| 169 | S | 34.6 | Very low | 34.4 | Very low | 82 Ų | 82 | 141.5 Ų | 141.5 | 57% | 0.573 | 76% | 0.763 | S | S | * | * | | | trans | -69.1 | 155.9 | 156.7 | 47.8 | 0 | 0 | 0 | 0 | 109.9 | S167 P171 | S167-S169 PolarHBondContact O-N 3.35Å; S169-P171 VanDerWaalsContact C-CD 3.4Å; S169-P171 WeakPolarHBondContact O-CD 3.28Å |
| 170 | T | 31.9 | Very low | 33.8 | Very low | 135 Ų | 135 | 140 Ų | 140 | 83% | 0.828 | 76% | 0.759 | S | S | * | * | | | trans | -109.7 | 83.3 | 155.3 | 51.1 | 0 | 0 | 0 | 0 | 108.6 | T172 | T170-T172 PolarHBondContact O-N 3.42Š|
| 171 | P | 40.1 | Very low | 33.4 | Very low | 100 Ų | 100 | 143.5 Ų | 143.5 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | | | trans | -85.4 | 94.1 | 166.1 | 33.1 | -22.8 | 0 | 0 | 0 | 107.4 | S169 D173 | S169-P171 VanDerWaalsContact C-CD 3.4Å; S169-P171 WeakPolarHBondContact O-CD 3.28Å; P171-D173 PolarHBondContact O-N 2.94Å |
| 172 | T | 35.6 | Very low | 32.8 | Very low | 143 Ų | 143 | 139 Ų | 139 | 88% | 0.877 | 76% | 0.759 | S | S | * | * | | | trans | -78.2 | 104.5 | 167.8 | -49.2 | 0 | 0 | 0 | 0 | 107.6 | T170 | T170-T172 PolarHBondContact O-N 3.42Š|
| 173 | D | 29.4 | Very low | 32.3 | Very low | 133 Ų | 133 | 138.3 Ų | 138.3 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | | | trans | -93.5 | 163 | 178.2 | 176 | 52.9 | 0 | 0 | 0 | 112.1 | P171 | P171-D173 PolarHBondContact O-N 2.94Š|
| 174 | S | 29.3 | Very low | 31.8 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | | | trans | 73.8 | 141.9 | 163.7 | -75.7 | 0 | 0 | 0 | 0 | 119 | | |
| 175 | G | 30.3 | Very low | 31.4 | Very low | 72 Ų | 72 | 135 Ų | 135 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | | | trans | 93.9 | 73.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 176 | S | 29.1 | Very low | 31 | Very low | 104 Ų | 104 | 131.4 Ų | 131.4 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | | 46 | 91.3 | 63.1 | 179.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 177 | F | 27.8 | Very low | 30.8 | Very low | 199 Ų | 199 | 128.2 Ų | 128.2 | 87% | 0.873 | 75% | 0.746 | S | S | * | * | | | trans | -167.9 | 118.2 | 131.3 | -97.8 | -64.5 | 0 | 0 | 0 | 109.9 | | |
| 178 | C | 28.7 | Very low | 30.8 | Very low | 120 Ų | 120 | 126.7 Ų | 126.7 | 81% | 0.811 | 73% | 0.728 | S | S | * | * | | | trans | -83 | 124.3 | 159.6 | -58.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 179 | F | 25.3 | Very low | 30.5 | Very low | 172 Ų | 172 | 126.8 Ų | 126.8 | 75% | 0.754 | 72% | 0.723 | S | S | * | * | | | trans | -170.9 | 89.4 | 151.1 | -114.5 | -73.9 | 0 | 0 | 0 | 112 | E181 | F179-E181 WeakPolarHBondContact CE1-O 3.49Š|
| 180 | T | 27.4 | Very low | 30.2 | Very low | 135 Ų | 135 | 129.2 Ų | 129.2 | 83% | 0.828 | 73% | 0.726 | S | S | * | * | | | | -96.8 | 141.4 | 110.7 | 52.7 | 0 | 0 | 0 | 0 | 105 | | |
| 181 | E | 28.2 | Very low | 30.2 | Very low | 157 Ų | 157 | 131.2 Ų | 131.2 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | | | cis | -152.3 | 141.3 | 20 | -161.1 | 167.3 | 127.3 | 0 | 0 | 108.9 | F179 | F179-E181 WeakPolarHBondContact CE1-O 3.49Š|
| 182 | A | 27.5 | Very low | 29.7 | Very low | 89 Ų | 89 | 132.7 Ų | 132.7 | 74% | 0.736 | 72% | 0.723 | S | S | * | * | | | trans | -81.7 | 127.5 | 178 | 0 | 0 | 0 | 0 | 0 | 110.3 | V184 | A182-V184 PolarHBondContact O-N 2.83Š|
| 183 | M | 26 | Very low | 29.4 | Very low | 189 Ų | 189 | 131.7 Ų | 131.7 | 93% | 0.931 | 71% | 0.713 | S | S | * | * | | | trans | -81.1 | 113.5 | -178.4 | -62.7 | 179.6 | -177.5 | 0 | 0 | 112 | | |
| 184 | V | 28.5 | Very low | 29.4 | Very low | 135 Ų | 135 | 134.9 Ų | 134.9 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | | | trans | -139.6 | 96.3 | 149.6 | -177.9 | 0 | 0 | 0 | 0 | 104.4 | A182 | A182-V184 PolarHBondContact O-N 2.83Š|
| 185 | M | 31.6 | Very low | 29.6 | Very low | 155 Ų | 155 | 137.5 Ų | 137.5 | 76% | 0.764 | 72% | 0.721 | S | S | * | * | | | | 66.1 | 82.7 | 73.8 | -160 | 72 | 90.8 | 0 | 0 | 112.4 | | |
| 186 | D | 27.9 | Very low | 29.7 | Very low | 100 Ų | 100 | 137.3 Ų | 137.3 | 54% | 0.535 | 72% | 0.719 | S | S | . | * | | | trans | 71.7 | 126.2 | 131.6 | -158.7 | -9.1 | 0 | 0 | 0 | 119.5 | H657 | D186-H657 VanDerWaalsContact CA-NE2 3.34Å; D186-H657 WeakPolarHBondContact CA-NE2 3.15Å; D186-H657 WeakPolarHBondContact CB-CE1 3.15Å; D186-H657 WeakPolarHBondContact CB-NE2 3.27Å; D186-H657 PolarHBondContact O-CE1 1.84Å; D186-H657 PolarHBondContact O-NE2 3.21Å; D186-H657 VanDerWaalsContact O-NE2 3.13Å; D186-H657 IonicContact OD1-CD2 3.76Å; D186-H657 IonicContact OD1-CE1 2.8Å; D186-H657 IonicContact OD1-NE2 2.83Å; D186-H657 PolarHBondContact OD1-NE2 3.21Å; D186-H657 IonicContact OD2-CD2 3.96Å; D186-H657 IonicContact OD2-NE2 3.61Å; D186-H657 PolarHBondContact OD2-NE2 2.89Å |
| 187 | H | 32.9 | Very low | 29.9 | Very low | 112 Ų | 112 | 140.8 Ų | 140.8 | 52% | 0.519 | 72% | 0.723 | S | S | . | * | | | trans | -166.9 | 87.9 | 149.8 | -111.1 | 65.5 | 0 | 0 | 0 | 111.1 | H657 | H187-H657 WeakPolarHBondContact CA-NE2 3.26Å; H187-H657 AromaticContact CE1-CE1 3.39Å; H187-H657 PolarHBondContact CE1-CE1 3.45Å; H187-H657 AromaticContact CE1-ND1 3.35Å; H187-H657 PolarHBondContact CE1-ND1 3.38Å; H187-H657 VanDerWaalsContact CE1-ND1 3.35Å; H187-H657 PolarHBondContact N-NE2 3.26Å; H187-H657 AromaticContact ND1-CE1 2.93Å; H187-H657 PolarHBondContact ND1-CE1 3.07Å; H187-H657 AromaticContact ND1-ND1 3.67Å; H187-H657 AromaticContact ND1-NE2 3.76Å |
| 188 | H | 36.6 | Very low | 30 | Very low | 66 Ų | 66 | 134.2 Ų | 134.2 | 31% | 0.306 | 71% | 0.712 | S | S | . | * | | | trans | 66.3 | 115.3 | 161.6 | -44.5 | -65.6 | 0 | 0 | 0 | 116.2 | H657 L660 | H188-H657 AromaticContact CE1-CD2 3.35Å; H188-H657 PolarHBondContact CE1-CD2 2.75Å; H188-H657 AromaticContact NE2-CD2 3.72Å; H188-L660 HydrophobicContact CB-CD1 4.32Å |
| 189 | Q | 32.2 | Very low | 30.2 | Very low | 159 Ų | 159 | 136 Ų | 136 | 74% | 0.743 | 71% | 0.709 | S | S | * | * | | | | 70.4 | 90.5 | 64.1 | -166.5 | 154.3 | 51.9 | 0 | 0 | 114.2 | | |
| 190 | E | 27.4 | Very low | 30.7 | Very low | 133 Ų | 133 | 134.2 Ų | 134.2 | 62% | 0.621 | 71% | 0.707 | S | S | * | * | | | trans | 46.1 | 129.7 | 135.3 | -60.7 | 176.5 | -144.3 | 0 | 0 | 121.3 | | |
| 191 | H | 31.4 | Very low | 30.9 | Very low | 177 Ų | 177 | 138.9 Ų | 138.9 | 82% | 0.819 | 71% | 0.711 | S | S | * | * | | | | -152.2 | 128.7 | 106.4 | -103.2 | -75.6 | 0 | 0 | 0 | 111.5 | | |
| 192 | H | 29.6 | Very low | 31 | Very low | 131 Ų | 131 | 135.5 Ų | 135.5 | 61% | 0.606 | 71% | 0.71 | S | S | * | * | | | | 7.3 | 139.8 | 129.3 | -69.9 | -76.6 | 0 | 0 | 0 | 117.6 | | |
| 193 | N | 31.2 | Very low | 31.4 | Very low | 122 Ų | 122 | 139 Ų | 139 | 65% | 0.652 | 72% | 0.716 | S | S | * | * | | | cis | -169.9 | 164.4 | 27.2 | -120.9 | -12.9 | 0 | 0 | 0 | 113.9 | | |
| 194 | Y | 29.2 | Very low | 31.8 | Very low | 200 Ų | 200 | 137.9 Ų | 137.9 | 78% | 0.784 | 71% | 0.713 | S | S | * | * | | | trans | 75 | 123.7 | 144.5 | -93.3 | -123.6 | 0 | 0 | 0 | 123.9 | | |
| 195 | L | 32.2 | Very low | 32 | Very low | 160 Ų | 160 | 142.7 Ų | 142.7 | 84% | 0.838 | 72% | 0.718 | S | S | * | * | | | | 98.6 | 117.1 | 126.5 | -163 | 66.7 | 0 | 0 | 0 | 119.5 | | |
| 196 | G | 32.4 | Very low | 32.6 | Very low | 68 Ų | 68 | 141 Ų | 141 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | | | trans | 164.7 | 118.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 197 | H | 33.3 | Very low | 32.7 | Very low | 177 Ų | 177 | 148 Ų | 148 | 82% | 0.819 | 74% | 0.738 | S | S | * | * | | | trans | -61.9 | 157.6 | 165.8 | -63.1 | -119.1 | 0 | 0 | 0 | 109.9 | | |
| 198 | G | 31.4 | Very low | 32.6 | Very low | 62 Ų | 62 | 146.3 Ų | 146.3 | 64% | 0.639 | 75% | 0.75 | S | S | * | * | | | cis | 136.6 | 159.5 | 5.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 199 | E | 31.9 | Very low | 32.3 | Very low | 157 Ų | 157 | 148.8 Ų | 148.8 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | | | trans | 60 | 167.4 | 157.7 | 62.6 | 177.1 | 97.7 | 0 | 0 | 122.3 | | |
| 200 | N | 36.2 | Very low | 32.5 | Very low | 135 Ų | 135 | 146.2 Ų | 146.2 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | | | trans | 73.1 | 90 | 167.6 | -59.3 | -51.3 | 0 | 0 | 0 | 120.8 | | |
| 201 | Y | 32.1 | Very low | 33.2 | Very low | 232 Ų | 232 | 148.7 Ų | 148.7 | 91% | 0.91 | 79% | 0.786 | S | S | * | * | | | trans | -59.5 | 166.7 | 151.9 | -85.1 | -112.8 | 0 | 0 | 0 | 113.5 | | |
| 202 | A | 30.6 | Very low | 33.5 | Very low | 87 Ų | 87 | 147.7 Ų | 147.7 | 72% | 0.719 | 79% | 0.786 | S | S | * | * | | | trans | 99.4 | 157.7 | 143.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 203 | L | 34.5 | Very low | 34 | Very low | 162 Ų | 162 | 147.6 Ų | 147.6 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | | | trans | 64.6 | 91.6 | 169.6 | -50.5 | -174.6 | 0 | 0 | 0 | 117.6 | | |
| 204 | L | 35.4 | Very low | 34.1 | Very low | 166 Ų | 166 | 146.6 Ų | 146.6 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | | | trans | -164.9 | 80.5 | 137.2 | -105.1 | 156.3 | 0 | 0 | 0 | 110.5 | P206 | L204-P206 WeakPolarHBondContact O-CD 3.34Š|
| 205 | Y | 32.9 | Very low | 34.2 | Very low | 235 Ų | 235 | 142.1 Ų | 142.1 | 92% | 0.922 | 81% | 0.807 | S | S | * | * | | | trans | -104.6 | 103.7 | 167.5 | -92.6 | -81.6 | 0 | 0 | 0 | 109.4 | R207 | Y205-R207 PolarHBondContact O-N 2.99Å; Y205-R207 VanDerWaalsContact O-N 3.15Å |
| 206 | P | 42.6 | Very low | 34.4 | Very low | 121 Ų | 121 | 140.5 Ų | 140.5 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | | | trans | -70.4 | 107.5 | 170.8 | -18.1 | 32.7 | 0 | 0 | 0 | 110.3 | L204 | L204-P206 WeakPolarHBondContact O-CD 3.34Š|
| 207 | R | 29.9 | Very low | 34.6 | Very low | 247 Ų | 247 | 144 Ų | 144 | 93% | 0.932 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 129.7 | 165.5 | -169.8 | 173.9 | -176 | 130.1 | -1.5 | 108.2 | Y205 | Y205-R207 PolarHBondContact O-N 2.99Å; Y205-R207 VanDerWaalsContact O-N 3.15Å |
| 208 | G | 31.8 | Very low | 34.6 | Very low | 76 Ų | 76 | 143.1 Ų | 143.1 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 146.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 209 | S | 29.7 | Very low | 34.9 | Very low | 117 Ų | 117 | 146.8 Ų | 146.8 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 169.4 | 159.9 | -166.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 210 | S | 37.1 | Very low | 35.1 | Very low | 105 Ų | 105 | 147.1 Ų | 147.1 | 73% | 0.734 | 83% | 0.829 | S | S | * | * | | | trans | -132.5 | 118.9 | -177.1 | -179.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 211 | E | 41.6 | Very low | 34.9 | Very low | 185 Ų | 185 | 146.4 Ų | 146.4 | 86% | 0.864 | 84% | 0.835 | S | S | * | * | | | trans | -133.4 | 102.4 | 179.4 | -66.7 | -176.5 | 106.1 | 0 | 0 | 110.1 | | |
| 212 | D | 38.9 | Very low | 34.9 | Very low | 156 Ų | 156 | 141 Ų | 141 | 83% | 0.834 | 83% | 0.826 | S | S | * | * | | | trans | -84.2 | 123.3 | 167.8 | -87.7 | -56.3 | 0 | 0 | 0 | 109.6 | | |
| 213 | S | 38.4 | Very low | 35 | Very low | 130 Ų | 130 | 143.1 Ų | 143.1 | 91% | 0.909 | 83% | 0.83 | S | S | * | * | | | trans | -162.4 | 154.9 | 159.6 | -86.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 214 | A | 33.7 | Very low | 34.8 | Very low | 100 Ų | 100 | 140.3 Ų | 140.3 | 83% | 0.826 | 83% | 0.829 | S | S | * | * | | | trans | -121.3 | 129.7 | -164.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 215 | S | 32.6 | Very low | 34.6 | Very low | 107 Ų | 107 | 138.1 Ų | 138.1 | 75% | 0.748 | 83% | 0.828 | S | S | * | * | | | trans | -171.9 | 115.6 | 157.2 | 37.6 | 0 | 0 | 0 | 0 | 107.5 | | |
| 216 | T | 35.3 | Very low | 34.8 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | | | | 67.9 | 128.1 | 75.5 | 62.4 | 0 | 0 | 0 | 0 | 116 | | |
| 217 | T | 36.6 | Very low | 34.4 | Very low | 142 Ų | 142 | 139.4 Ų | 139.4 | 87% | 0.871 | 83% | 0.829 | S | S | * | * | | | trans | 78.8 | 151.5 | 170.6 | 66 | 0 | 0 | 0 | 0 | 118.9 | | |
| 218 | D | 33.3 | Very low | 34.6 | Very low | 158 Ų | 158 | 132.7 Ų | 132.7 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | | | trans | -96.1 | 137.5 | -164.9 | -47.2 | -107.6 | 0 | 0 | 0 | 113.5 | | |
| 219 | T | 37.5 | Very low | 34.6 | Very low | 139 Ų | 139 | 135.2 Ų | 135.2 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | | | trans | -135.4 | 129.5 | 152.4 | 48.7 | 0 | 0 | 0 | 0 | 112 | | |
| 220 | I | 36.9 | Very low | 34.9 | Very low | 163 Ų | 163 | 138.6 Ų | 138.6 | 84% | 0.836 | 82% | 0.824 | S | S | * | * | | | trans | -73.1 | 140.7 | 169.3 | 6 | 172.9 | 0 | 0 | 0 | 110.1 | | |
| 221 | S | 31.9 | Very low | 34.8 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | | | trans | -143.1 | 140.4 | 159.9 | -80 | 0 | 0 | 0 | 0 | 110.1 | | |
| 222 | V | 32.3 | Very low | 35.2 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 72% | 0.721 | 82% | 0.819 | S | S | * | * | | | trans | -136.3 | 124 | -171 | 167.3 | 0 | 0 | 0 | 0 | 109 | | |
| 223 | T | 32.8 | Very low | 35.3 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | | | trans | 40 | 113.7 | 163.6 | 59.4 | 0 | 0 | 0 | 0 | 119.8 | | |
| 224 | A | 30.5 | Very low | 35.7 | Very low | 102 Ų | 102 | 143.7 Ų | 143.7 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | | | trans | -172.1 | 104.7 | 136.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 225 | S | 30.2 | Very low | 36 | Very low | 121 Ų | 121 | 147.5 Ų | 147.5 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | | | trans | 177.9 | 85.9 | 154.4 | 58.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 226 | D | 37.3 | Very low | 36.7 | Very low | 161 Ų | 161 | 153.5 Ų | 153.5 | 86% | 0.861 | 83% | 0.826 | S | S | * | * | | | trans | -92.8 | 121 | 163.1 | -68.1 | -66 | 0 | 0 | 0 | 108.9 | | |
| 227 | Y | 34.5 | Very low | 37.4 | Very low | 221 Ų | 221 | 152.7 Ų | 152.7 | 87% | 0.867 | 83% | 0.826 | S | S | * | * | | | trans | 172.6 | 133 | 139.3 | -115.6 | -87.4 | 0 | 0 | 0 | 112.1 | | |
| 228 | S | 33.1 | Very low | 38.3 | Very low | 106 Ų | 106 | 157.4 Ų | 157.4 | 74% | 0.741 | 83% | 0.827 | S | S | * | * | | | trans | 56.6 | 148.9 | 155.3 | -82.3 | 0 | 0 | 0 | 0 | 120.5 | | |
| 229 | T | 32.8 | Very low | 39.2 | Very low | 129 Ų | 129 | 155.3 Ų | 155.3 | 79% | 0.791 | 83% | 0.825 | S | S | * | * | | | cis | -127.8 | 170.3 | 1.7 | 46.4 | 0 | 0 | 0 | 0 | 112.3 | G231 | T229-G231 PolarHBondContact O-N 2.87Š|
| 230 | E | 35.5 | Very low | 40.5 | Very low | 189 Ų | 189 | 155.5 Ų | 155.5 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | | | trans | -60.6 | 125.5 | -178 | -160 | 60.5 | -147.8 | 0 | 0 | 113.5 | | |
| 231 | G | 35.3 | Very low | 41.5 | Very low | 53 Ų | 53 | 152.7 Ų | 152.7 | 55% | 0.546 | 81% | 0.814 | S | S | . | * | | | trans | -157.3 | 98.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T229 L233 | T229-G231 PolarHBondContact O-N 2.87Å; G231-L233 VanDerWaalsContact C-N 3.33Å; G231-L233 PolarHBondContact O-N 3.06Å |
| 232 | R | 48.9 | Very low | 43.2 | Very low | 251 Ų | 251 | 153.8 Ų | 153.8 | 95% | 0.947 | 81% | 0.81 | S | S | * | * | | | trans | -65.2 | 74.8 | -167.7 | -167.2 | -176.2 | -173.7 | 178.4 | 4.5 | 114.4 | | |
| 233 | L | 42.5 | Very low | 45 | Very low | 153 Ų | 153 | 157.5 Ų | 157.5 | 80% | 0.801 | 82% | 0.816 | S | S | * | * | | | trans | -84.8 | 138 | 176.1 | -68.1 | 179.2 | 0 | 0 | 0 | 112.4 | G231 | G231-L233 VanDerWaalsContact C-N 3.33Å; G231-L233 PolarHBondContact O-N 3.06Å |
| 234 | R | 46.1 | Very low | 47 | Very low | 226 Ų | 226 | 160.8 Ų | 160.8 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | | | trans | -63 | 138.3 | -173 | -60.9 | 168.4 | -179.9 | 80.7 | 0 | 111 | R236 | R234-R236 VanDerWaalsContact C-N 3.35Å; R234-R236 PolarHBondContact O-N 2.99Å |
| 235 | L | 40.9 | Very low | 48.4 | Very low | 179 Ų | 179 | 160.9 Ų | 160.9 | 94% | 0.937 | 81% | 0.814 | S | S | * | * | | | trans | -60.7 | 92.1 | 172.8 | -93.8 | 69.4 | 0 | 0 | 0 | 110.8 | S237 | L235-S237 PolarHBondContact O-N 2.86Š|
| 236 | R | 47.3 | Very low | 50.2 | Low | 233 Ų | 233 | 166 Ų | 166 | 88% | 0.879 | 82% | 0.821 | S | S | * | * | | | trans | -68 | 123.8 | 170.6 | -172.9 | 170.6 | 178.5 | 138.6 | -3.8 | 108.2 | R234 R238 | R234-R236 VanDerWaalsContact C-N 3.35Å; R234-R236 PolarHBondContact O-N 2.99Å; R236-R238 PolarHBondContact O-N 2.94Å |
| 237 | S | 49.5 | Very low | 52.2 | Low | 110 Ų | 110 | 168.5 Ų | 168.5 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | | | trans | -54.7 | 123.7 | -173.9 | 40.7 | 0 | 0 | 0 | 0 | 111.8 | L235 S239 | L235-S237 PolarHBondContact O-N 2.86Å; S237-S239 PolarHBondContact O-N 3.03Å |
| 238 | R | 54.9 | Low | 54.3 | Low | 240 Ų | 240 | 167 Ų | 167 | 91% | 0.906 | 82% | 0.817 | S | S | * | * | | | trans | -70.9 | 94.4 | -179.8 | -63.6 | 178 | 79.1 | 164.8 | 5 | 109.1 | R236 I240 | R236-R238 PolarHBondContact O-N 2.94Å; R238-I240 PolarHBondContact O-N 2.94Å |
| 239 | S | 52.3 | Low | 56.6 | Low | 114 Ų | 114 | 167.4 Ų | 167.4 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | | | trans | -65.6 | 104.9 | 178.7 | 42.5 | 0 | 0 | 0 | 0 | 110.9 | S237 S241 | S237-S239 PolarHBondContact O-N 3.03Å; S239-S241 PolarHBondContact O-N 3.4Å; S239-S241 VanDerWaalsContact O-N 3.09Å |
| 240 | I | 64.9 | Low | 58.6 | Low | 143 Ų | 143 | 166.6 Ų | 166.6 | 73% | 0.733 | 81% | 0.814 | S | S | * | * | | | trans | -66.9 | 109 | 178.1 | 54.5 | 171.7 | 0 | 0 | 0 | 110.5 | R238 L242 | R238-I240 PolarHBondContact O-N 2.94Å; I240-L242 HydrophobicContact CD1-CD2 4.3Å; I240-L242 PolarHBondContact O-N 3.07Å |
| 241 | S | 57.9 | Low | 60.6 | Low | 104 Ų | 104 | 162.8 Ų | 162.8 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | | | trans | -77.9 | 86.9 | 178 | 51.1 | 0 | 0 | 0 | 0 | 110.4 | S239 K243 | S239-S241 PolarHBondContact O-N 3.4Å; S239-S241 VanDerWaalsContact O-N 3.09Å; S241-K243 VanDerWaalsContact C-N 3.31Å; S241-K243 PolarHBondContact O-N 2.96Å |
| 242 | L | 67.7 | Low | 62.4 | Low | 145 Ų | 145 | 166.4 Ų | 166.4 | 76% | 0.759 | 82% | 0.819 | S | S | * | * | | | trans | -64.6 | 88.2 | 175.3 | -63.8 | -178.3 | 0 | 0 | 0 | 110.6 | I240 K244 | I240-L242 HydrophobicContact CD1-CD2 4.3Å; I240-L242 PolarHBondContact O-N 3.07Å; L242-K244 PolarHBondContact O-N 3.24Å |
| 243 | K | 71 | Confident | 63.7 | Low | 196 Ų | 196 | 161.2 Ų | 161.2 | 85% | 0.852 | 82% | 0.815 | S | S | * | * | | | trans | -58.8 | 104.7 | 173 | -74.7 | -176.1 | 177.3 | 177.1 | 0 | 109.1 | S241 S245 | S241-K243 VanDerWaalsContact C-N 3.31Å; S241-K243 PolarHBondContact O-N 2.96Å; K243-S245 PolarHBondContact O-N 2.79Å |
| 244 | K | 73.7 | Confident | 65.1 | Low | 201 Ų | 201 | 163.3 Ų | 163.3 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | | | trans | -52.6 | 129.6 | 177.4 | -58.7 | -177.4 | 71.6 | 167.3 | 0 | 109.3 | L242 K246 | L242-K244 PolarHBondContact O-N 3.24Å; K244-K246 PolarHBondContact O-N 3.38Å |
| 245 | S | 59.8 | Low | 65.8 | Low | 104 Ų | 104 | 158.2 Ų | 158.2 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | | | trans | -58.2 | 129.6 | 179.1 | 47.2 | 0 | 0 | 0 | 0 | 110.2 | K243 R247 | K243-S245 PolarHBondContact O-N 2.79Å; S245-R247 PolarHBondContact O-N 3.11Å |
| 246 | K | 68.7 | Low | 66.7 | Low | 227 Ų | 227 | 154.6 Ų | 154.6 | 99% | 0.987 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -71 | 4.7 | -174.8 | -124.4 | 179.6 | -177.2 | -177.8 | 0 | 114 | K244 | K244-K246 PolarHBondContact O-N 3.38Š|
| 247 | R | 79.7 | Confident | 67 | Low | 215 Ų | 215 | 149 Ų | 149 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -110.6 | 124.3 | -178.2 | -170.8 | 178.6 | -172.9 | 178.8 | 3.3 | 108.7 | S245 | S245-R247 PolarHBondContact O-N 3.11Š|
| 248 | K | 78.7 | Confident | 67.1 | Low | 190 Ų | 190 | 152 Ų | 152 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 139.6 | 172.2 | -62.5 | 179.8 | -178.6 | 178 | 0 | 109.3 | | |
| 249 | P | 80.1 | Confident | 66.7 | Low | 113 Ų | 113 | 148.5 Ų | 148.5 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 150.5 | 169.3 | 28.3 | -34.3 | 0 | 0 | 0 | 109.9 | | |
| 250 | P | 75.7 | Confident | 66.8 | Low | 113 Ų | 113 | 152 Ų | 152 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 150.5 | 171.6 | 29 | -34.4 | 0 | 0 | 0 | 110.3 | | |
| 251 | P | 77.9 | Confident | 65.9 | Low | 108 Ų | 108 | 152.2 Ų | 152.2 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 147.8 | 174.4 | 28.3 | -34.7 | 0 | 0 | 0 | 110.5 | V253 | P251-V253 PolarHBondContact O-N 3.39Š|
| 252 | P | 73.3 | Confident | 65.3 | Low | 130 Ų | 130 | 154.9 Ų | 154.9 | 84% | 0.844 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 131 | 176.5 | 25.8 | -33.6 | 0 | 0 | 0 | 110.3 | R254 | P252-R254 PolarHBondContact O-N 3.29Š|
| 253 | V | 74.4 | Confident | 63.8 | Low | 141 Ų | 141 | 151.3 Ų | 151.3 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | | | trans | -76.6 | 112.8 | -178.7 | -179.9 | 0 | 0 | 0 | 0 | 109.1 | P251 S255 | P251-V253 PolarHBondContact O-N 3.39Å; V253-S255 PolarHBondContact O-N 2.98Å |
| 254 | R | 72.7 | Confident | 62.3 | Low | 197 Ų | 197 | 151.7 Ų | 151.7 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | | | trans | -66.7 | 117.8 | 170.8 | 58.6 | -174.8 | 175.5 | 89.2 | 0.6 | 110 | P252 V256 | P252-R254 PolarHBondContact O-N 3.29Å; R254-V256 VanDerWaalsContact C-N 3.34Å; R254-V256 VanDerWaalsContact NH1-CG2 3.35Å; R254-V256 PolarHBondContact O-N 3.32Å |
| 255 | S | 61.1 | Low | 60.9 | Low | 119 Ų | 119 | 146.5 Ų | 146.5 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | | | trans | -76.4 | 81.1 | 178.7 | 53.4 | 0 | 0 | 0 | 0 | 111 | V253 | V253-S255 PolarHBondContact O-N 2.98Š|
| 256 | V | 59.1 | Low | 59.9 | Low | 103 Ų | 103 | 150.6 Ų | 150.6 | 62% | 0.624 | 81% | 0.809 | S | S | * | * | | | trans | -104.8 | 100.4 | 166.3 | -69.7 | 0 | 0 | 0 | 0 | 109.9 | R254 | R254-V256 VanDerWaalsContact C-N 3.34Å; R254-V256 VanDerWaalsContact NH1-CG2 3.35Å; R254-V256 PolarHBondContact O-N 3.32Å |
| 257 | S | 52.9 | Low | 58.4 | Low | 115 Ų | 115 | 143.1 Ų | 143.1 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -129.2 | 90.2 | 168.2 | -70.5 | 0 | 0 | 0 | 0 | 107.9 | | |
| 258 | L | 52 | Low | 56.5 | Low | 175 Ų | 175 | 144.5 Ų | 144.5 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | | | trans | -63.9 | 136.4 | 160.5 | -66.1 | 175.7 | 0 | 0 | 0 | 107.7 | K260 | L258-K260 PolarHBondContact O-N 3.32Å; L258-K260 VanDerWaalsContact O-N 3.11Å |
| 259 | M | 48.1 | Very low | 54.5 | Low | 165 Ų | 165 | 144 Ų | 144 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | | | trans | -69.4 | 109.8 | -174.5 | -68.8 | 168.2 | 61.4 | 0 | 0 | 110 | N261 | M259-N261 PolarHBondContact O-N 2.96Å; M259-N261 VanDerWaalsContact O-N 3.14Å |
| 260 | K | 54.1 | Low | 52.5 | Low | 189 Ų | 189 | 148.2 Ų | 148.2 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | | | trans | -75.1 | 96.5 | 166.2 | 52.8 | 144.8 | -172.1 | 170.8 | 0 | 109.4 | L258 L262 | L258-K260 PolarHBondContact O-N 3.32Å; L258-K260 VanDerWaalsContact O-N 3.11Å; K260-L262 PolarHBondContact O-N 2.8Å; K260-L262 VanDerWaalsContact O-N 3.12Å |
| 261 | N | 45.4 | Very low | 50.5 | Low | 147 Ų | 147 | 150.7 Ų | 150.7 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | | | trans | -67.6 | 109.1 | 172.3 | -67.6 | -24.4 | 0 | 0 | 0 | 108.9 | M259 | M259-N261 PolarHBondContact O-N 2.96Å; M259-N261 VanDerWaalsContact O-N 3.14Å |
| 262 | L | 44.8 | Very low | 48.1 | Very low | 160 Ų | 160 | 149.2 Ų | 149.2 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | | | trans | -117.4 | 109.2 | 165.4 | 174.5 | 63.3 | 0 | 0 | 0 | 105.7 | K260 | K260-L262 PolarHBondContact O-N 2.8Å; K260-L262 VanDerWaalsContact O-N 3.12Å |
| 263 | G | 37.1 | Very low | 46 | Very low | 70 Ų | 70 | 147.4 Ų | 147.4 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | | | trans | -169.7 | 42.1 | -165.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 264 | E | 38.2 | Very low | 44 | Very low | 203 Ų | 203 | 144.4 Ų | 144.4 | 95% | 0.949 | 82% | 0.817 | S | S | * | * | | | trans | -101.4 | 86.4 | 164.7 | -73.6 | -171.7 | 154.3 | 0 | 0 | 110 | | |
| 265 | A | 45.3 | Very low | 42.5 | Very low | 92 Ų | 92 | 142.2 Ų | 142.2 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | | | trans | -110.3 | 155.6 | 132.4 | 0 | 0 | 0 | 0 | 0 | 104.9 | | |
| 266 | E | 39.2 | Very low | 41.3 | Very low | 190 Ų | 190 | 145.9 Ų | 145.9 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | | | cis | -169.4 | 169.2 | 43.3 | -176.5 | 175.2 | 171.1 | 0 | 0 | 109.5 | | |
| 267 | G | 36.8 | Very low | 40.3 | Very low | 71 Ų | 71 | 152.7 Ų | 152.7 | 73% | 0.732 | 83% | 0.831 | S | S | * | * | | | trans | 64.3 | 113 | 143.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 268 | R | 38.7 | Very low | 39.5 | Very low | 243 Ų | 243 | 155 Ų | 155 | 92% | 0.917 | 83% | 0.834 | S | S | * | * | | | trans | -77.9 | 131.8 | 159 | -75.2 | -158.3 | -87.7 | -114.1 | 8.6 | 111.2 | | |
| 269 | L | 38 | Very low | 38.6 | Very low | 180 Ų | 180 | 150.1 Ų | 150.1 | 94% | 0.942 | 83% | 0.825 | S | S | * | * | | | trans | -148.4 | 175.1 | 139.7 | -79.8 | -167.5 | 0 | 0 | 0 | 109.5 | | |
| 270 | R | 37.2 | Very low | 38 | Very low | 202 Ų | 202 | 152 Ų | 152 | 76% | 0.762 | 82% | 0.824 | S | S | * | * | | | trans | -135.8 | 167.5 | -163.2 | -65.6 | -130.9 | -52.1 | -151.5 | 2.4 | 115.3 | | |
| 271 | H | 33.5 | Very low | 37.4 | Very low | 165 Ų | 165 | 149.6 Ų | 149.6 | 76% | 0.764 | 83% | 0.827 | S | S | * | * | | | trans | 81 | 147.3 | 162.8 | -64.3 | -82.7 | 0 | 0 | 0 | 118.1 | | |
| 272 | G | 28.1 | Very low | 37.5 | Very low | 77 Ų | 77 | 150 Ų | 150 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | | | trans | 115.6 | 117.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 273 | G | 30.3 | Very low | 37.6 | Very low | 91 Ų | 91 | 148 Ų | 148 | 94% | 0.938 | 82% | 0.821 | S | S | * | * | | | trans | -72.4 | 143.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 274 | G | 31 | Very low | 38 | Very low | 78 Ų | 78 | 152.1 Ų | 152.1 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | | | trans | -164 | 136.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 275 | L | 42.6 | Very low | 38 | Very low | 152 Ų | 152 | 150.2 Ų | 150.2 | 80% | 0.796 | 82% | 0.817 | S | S | * | * | | | trans | -91.9 | 153.5 | -166.4 | -143.8 | 65.6 | 0 | 0 | 0 | 112.5 | | |
| 276 | Y | 34.9 | Very low | 38.2 | Very low | 196 Ų | 196 | 151.8 Ų | 151.8 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | | | trans | 60.1 | 114.3 | 173.3 | -65.5 | -77.6 | 0 | 0 | 0 | 119.2 | | |
| 277 | R | 37.2 | Very low | 38.1 | Very low | 246 Ų | 246 | 147.7 Ų | 147.7 | 93% | 0.928 | 80% | 0.801 | S | S | * | * | | | trans | -138.8 | 43.3 | 161.3 | -71.3 | -62 | -70.1 | -143.9 | -6.8 | 114 | | |
| 278 | D | 36.7 | Very low | 38.3 | Very low | 164 Ų | 164 | 153.8 Ų | 153.8 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | | | trans | -126.5 | 120.4 | 159.9 | -91.8 | -58.3 | 0 | 0 | 0 | 109.4 | | |
| 279 | G | 32.4 | Very low | 38.6 | Very low | 71 Ų | 71 | 148.7 Ų | 148.7 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | | | trans | -161.8 | 65.9 | -157.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 280 | R | 37.1 | Very low | 38.5 | Very low | 206 Ų | 206 | 147.9 Ų | 147.9 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | | | trans | -47.8 | 129.1 | 167.1 | 178.2 | -176.3 | -172.6 | 171.1 | 3.8 | 110.5 | K282 | R280-K282 PolarHBondContact O-N 3.12Š|
| 281 | P | 40.4 | Very low | 38.5 | Very low | 137 Ų | 137 | 145.7 Ų | 145.7 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | | | trans | -68.6 | 99.3 | 179.2 | 27.2 | -33.9 | 0 | 0 | 0 | 111.1 | | |
| 282 | K | 47.3 | Very low | 38.8 | Very low | 156 Ų | 156 | 143.4 Ų | 143.4 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | | | trans | -118.2 | 139.3 | 163.9 | -78.4 | -173.5 | 171.6 | -172.9 | 0 | 108.3 | R280 | R280-K282 PolarHBondContact O-N 3.12Š|
| 283 | S | 47.3 | Very low | 39.2 | Very low | 117 Ų | 117 | 148.2 Ų | 148.2 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | 55.8 | 132.1 | 171 | 51.9 | 0 | 0 | 0 | 0 | 118.2 | H285 | S283-H285 PolarHBondContact O-N 3.14Š|
| 284 | L | 46.2 | Very low | 39.2 | Very low | 157 Ų | 157 | 153.9 Ų | 153.9 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | | | trans | -79.6 | 98.1 | 171.7 | -174.9 | 133.6 | 0 | 0 | 0 | 109.3 | I286 | L284-I286 HydrophobicContact CD2-CD1 3.79Å; L284-I286 HydrophobicContact CD2-CG1 3.74Å |
| 285 | H | 38.8 | Very low | 39.3 | Very low | 164 Ų | 164 | 156.4 Ų | 156.4 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | | | trans | -92.4 | 130.2 | 175.9 | -167.5 | 82.1 | 0 | 0 | 0 | 110.5 | S283 | S283-H285 PolarHBondContact O-N 3.14Š|
| 286 | I | 48.4 | Very low | 39.1 | Very low | 124 Ų | 124 | 154.7 Ų | 154.7 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | | | trans | -113.6 | 115 | 179.1 | -58.1 | 174.4 | 0 | 0 | 0 | 107.7 | L284 R288 | L284-I286 HydrophobicContact CD2-CD1 3.79Å; L284-I286 HydrophobicContact CD2-CG1 3.74Å; I286-R288 PolarHBondContact O-N 3.11Å |
| 287 | P | 37.4 | Very low | 38.9 | Very low | 105 Ų | 105 | 150.5 Ų | 150.5 | 68% | 0.682 | 77% | 0.766 | S | S | * | * | | | trans | -58.7 | 135.7 | 170.9 | -22.7 | 34.1 | 0 | 0 | 0 | 110.7 | | |
| 288 | R | 41.4 | Very low | 38.9 | Very low | 198 Ų | 198 | 148.3 Ų | 148.3 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | | | trans | -126.8 | 60.1 | -170.6 | -161.9 | -163.4 | -171.9 | -168.7 | 4.3 | 112.3 | I286 | I286-R288 PolarHBondContact O-N 3.11Š|
| 289 | D | 43.8 | Very low | 39 | Very low | 137 Ų | 137 | 146.9 Ų | 146.9 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | | | trans | -104.2 | 166.5 | 171.5 | -65.6 | -67.3 | 0 | 0 | 0 | 111.3 | | |
| 290 | N | 35.7 | Very low | 39 | Very low | 162 Ų | 162 | 150.2 Ų | 150.2 | 87% | 0.866 | 76% | 0.756 | S | S | * | * | | | trans | 67.3 | 65.4 | 179.9 | -51.1 | 118.8 | 0 | 0 | 0 | 116.8 | | |
| 291 | F | 37.4 | Very low | 38.7 | Very low | 157 Ų | 157 | 146.8 Ų | 146.8 | 69% | 0.689 | 76% | 0.758 | S | S | * | * | | | trans | -83 | 148.3 | 148.2 | -79.9 | -81.6 | 0 | 0 | 0 | 111 | | |
| 292 | P | 40.3 | Very low | 38.2 | Very low | 117 Ų | 117 | 144.8 Ų | 144.8 | 76% | 0.76 | 75% | 0.747 | S | S | * | * | | | trans | -116.5 | 120 | 136.4 | -4.1 | 24.4 | 0 | 0 | 0 | 111.8 | | |
| 293 | E | 36.2 | Very low | 37.5 | Very low | 177 Ų | 177 | 142.5 Ų | 142.5 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | | | | 48 | 103.5 | 127.7 | -166.5 | 164.1 | -137.6 | 0 | 0 | 119.8 | | |
| 294 | F | 31.2 | Very low | 36.7 | Very low | 210 Ų | 210 | 141.7 Ų | 141.7 | 92% | 0.921 | 75% | 0.745 | S | S | * | * | | | trans | -157.7 | 108.3 | 134.9 | -116.9 | -74.4 | 0 | 0 | 0 | 110.5 | | |
| 295 | Q | 31.6 | Very low | 35.7 | Very low | 132 Ų | 132 | 139.3 Ų | 139.3 | 62% | 0.617 | 74% | 0.74 | S | S | * | * | | | trans | -81 | 162.8 | 163.7 | -84.7 | -75.4 | 47.6 | 0 | 0 | 110.3 | D297 | Q295-D297 PolarHBondContact NE2-OD1 2.98Š|
| 296 | P | 38.5 | Very low | 35.3 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | | | | -136.7 | 129.8 | 106.8 | 35.5 | -24.7 | 0 | 0 | 0 | 113.9 | | |
| 297 | D | 30.7 | Very low | 34.3 | Very low | 108 Ų | 108 | 135.9 Ų | 135.9 | 58% | 0.578 | 75% | 0.746 | S | S | * | * | | | trans | -77.9 | 148.1 | 179.8 | -46.4 | -97.4 | 0 | 0 | 0 | 113.1 | Q295 | Q295-D297 PolarHBondContact NE2-OD1 2.98Š|
| 298 | F | 37.7 | Very low | 34.2 | Very low | 200 Ų | 200 | 140.8 Ų | 140.8 | 88% | 0.877 | 76% | 0.756 | S | S | * | * | | | trans | -134.5 | 83.2 | 153.8 | -88.2 | -75 | 0 | 0 | 0 | 110.7 | | |
| 299 | L | 38.9 | Very low | 33.5 | Very low | 134 Ų | 134 | 136.4 Ų | 136.4 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | | | trans | 45.8 | 101.8 | 148.3 | -48.4 | -178.9 | 0 | 0 | 0 | 117.2 | | |
| 300 | L | 33.3 | Very low | 32.9 | Very low | 141 Ų | 141 | 135.1 Ų | 135.1 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | | | | 64.2 | 121.6 | 100.8 | -67.1 | 171.4 | 0 | 0 | 0 | 114.2 | | |
| 301 | T | 30.2 | Very low | 32.7 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | | | | -147.7 | 138.9 | 70.5 | -56 | 0 | 0 | 0 | 0 | 113.1 | | |
| 302 | S | 30 | Very low | 32.3 | Very low | 94 Ų | 94 | 130.7 Ų | 130.7 | 66% | 0.657 | 77% | 0.77 | S | S | * | * | | | trans | -30.9 | 168.2 | 151.4 | -37.5 | 0 | 0 | 0 | 0 | 115.3 | | |
| 303 | S | 33 | Very low | 31.7 | Very low | 109 Ų | 109 | 132 Ų | 132 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | | | cis | -154.5 | 170.9 | -1.3 | -141.7 | 0 | 0 | 0 | 0 | 106.3 | | |
| 304 | S | 29.8 | Very low | 31.5 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | | | cis | -159.9 | 168.2 | 12.9 | -152 | 0 | 0 | 0 | 0 | 110.8 | | |
| 305 | C | 25.6 | Very low | 31.4 | Very low | 108 Ų | 108 | 129 Ų | 129 | 73% | 0.73 | 75% | 0.747 | S | S | * | * | | | trans | -62.9 | 156.4 | 155.6 | 54.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 306 | S | 29.7 | Very low | 31.4 | Very low | 107 Ų | 107 | 129.9 Ų | 129.9 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | | | | 171.1 | 173 | 70.1 | -114.8 | 0 | 0 | 0 | 0 | 107.2 | | |
| 307 | S | 28.3 | Very low | 31 | Very low | 108 Ų | 108 | 127.5 Ų | 127.5 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | | | cis | -166.4 | 171.1 | -11.4 | 40 | 0 | 0 | 0 | 0 | 108.2 | | |
| 308 | K | 34.8 | Very low | 31.2 | Very low | 208 Ų | 208 | 131.3 Ų | 131.3 | 90% | 0.904 | 77% | 0.767 | S | S | * | * | | | trans | -62.5 | 147.5 | 171.1 | -56.1 | 176.8 | -177.7 | -179.4 | 0 | 111.9 | | |
| 309 | A | 27.6 | Very low | 31 | Very low | 107 Ų | 107 | 126 Ų | 126 | 88% | 0.884 | 77% | 0.767 | S | S | * | * | | | trans | -149.1 | 151.9 | 152.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 310 | S | 30.2 | Very low | 30.7 | Very low | 109 Ų | 109 | 122.9 Ų | 122.9 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | | | trans | -124.8 | 144.6 | 179.9 | 54.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 311 | V | 30.6 | Very low | 30.8 | Very low | 153 Ų | 153 | 123.5 Ų | 123.5 | 93% | 0.927 | 77% | 0.772 | S | S | * | * | | | trans | 41.7 | 112.1 | 154 | -176.3 | 0 | 0 | 0 | 0 | 117.9 | | |
| 312 | G | 29.8 | Very low | 31.1 | Very low | 73 Ų | 73 | 124.6 Ų | 124.6 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | | | trans | 147.9 | 141.8 | 159.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 313 | E | 27.3 | Very low | 31.3 | Very low | 146 Ų | 146 | 123 Ų | 123 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | | | cis | -167.7 | 128 | -12.8 | -164.1 | -143.5 | 138.7 | 0 | 0 | 106.6 | | |
| 314 | R | 33.3 | Very low | 32.2 | Very low | 183 Ų | 183 | 123.9 Ų | 123.9 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | | | trans | 63.1 | 170.9 | 178.4 | -33.4 | -164.1 | -60.8 | -86.4 | -2.8 | 113.2 | | |
| 315 | E | 27.6 | Very low | 33.2 | Very low | 139 Ų | 139 | 124.4 Ų | 124.4 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | | | cis | -158 | 161.8 | -2.9 | -140.6 | 165.5 | 115.9 | 0 | 0 | 109.9 | | |
| 316 | L | 33 | Very low | 33.4 | Very low | 151 Ų | 151 | 124.1 Ų | 124.1 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | | | trans | 58.7 | 112.8 | 155.8 | -75.9 | 153.9 | 0 | 0 | 0 | 123 | | |
| 317 | G | 30.4 | Very low | 33.7 | Very low | 67 Ų | 67 | 126.1 Ų | 126.1 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | | | trans | 88.1 | 163.2 | 137.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 318 | Q | 34.7 | Very low | 33.8 | Very low | 188 Ų | 188 | 129.4 Ų | 129.4 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | | | cis | -164.7 | 115.2 | -14.8 | -166.9 | 92.5 | -12.4 | 0 | 0 | 110.9 | | |
| 319 | G | 33.4 | Very low | 33.6 | Very low | 87 Ų | 87 | 124.4 Ų | 124.4 | 90% | 0.897 | 77% | 0.767 | S | S | * | * | | | trans | 74.4 | 158.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 320 | G | 32.2 | Very low | 33.7 | Very low | 69 Ų | 69 | 127.5 Ų | 127.5 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | | | cis | 151.7 | 128.4 | -13.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 321 | N | 35.5 | Very low | 33.7 | Very low | 155 Ų | 155 | 126.4 Ų | 126.4 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | | | trans | 58.9 | 161.4 | 165.2 | -67.8 | 1.7 | 0 | 0 | 0 | 117.5 | | |
| 322 | D | 36.7 | Very low | 34.2 | Very low | 156 Ų | 156 | 124.6 Ų | 124.6 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | | | cis | -127 | -179.5 | -7.2 | -88.2 | -56.6 | 0 | 0 | 0 | 107 | | |
| 323 | G | 33.8 | Very low | 34.1 | Very low | 61 Ų | 61 | 129.6 Ų | 129.6 | 63% | 0.629 | 76% | 0.755 | S | S | * | * | | | cis | 158.9 | 150.2 | 5.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 324 | P | 50.7 | Low | 34.4 | Very low | 128 Ų | 128 | 132.6 Ų | 132.6 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | | | trans | -105.2 | -151.6 | -169.7 | 45.1 | -38.7 | 0 | 0 | 0 | 111.3 | | |
| 325 | P | 52 | Low | 34.2 | Very low | 109 Ų | 109 | 131.8 Ų | 131.8 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | | | cis | -139.4 | -156.4 | -8.9 | 42.6 | -22.1 | 0 | 0 | 0 | 114.7 | | |
| 326 | S | 30.1 | Very low | 34.5 | Very low | 103 Ų | 103 | 129 Ų | 129 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | | | trans | 73.1 | 161.8 | 156.9 | -77 | 0 | 0 | 0 | 0 | 118.7 | | |
| 327 | L | 35.5 | Very low | 34.4 | Very low | 149 Ų | 149 | 130.2 Ų | 130.2 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | | | cis | 171.6 | 173 | -34.1 | -108.3 | 171 | 0 | 0 | 0 | 105.7 | | |
| 328 | E | 29.9 | Very low | 34.5 | Very low | 177 Ų | 177 | 133.1 Ų | 133.1 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | | | trans | 67.4 | 154.6 | 163.3 | -78.6 | -166.3 | 116.6 | 0 | 0 | 118.1 | | |
| 329 | V | 31.8 | Very low | 34.3 | Very low | 103 Ų | 103 | 131.8 Ų | 131.8 | 62% | 0.624 | 77% | 0.773 | S | S | * | * | | | cis | -160.9 | 166.6 | -25.9 | 96 | 0 | 0 | 0 | 0 | 110.6 | | |
| 330 | Q | 29.9 | Very low | 34.3 | Very low | 172 Ų | 172 | 134.3 Ų | 134.3 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | | | trans | 60.8 | 146 | 168.5 | -117 | 76 | 56.9 | 0 | 0 | 121 | | |
| 331 | A | 29.3 | Very low | 34.2 | Very low | 85 Ų | 85 | 137.4 Ų | 137.4 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | | | trans | -101.6 | 161.3 | 151.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 332 | P | 40.7 | Very low | 33.9 | Very low | 116 Ų | 116 | 138 Ų | 138 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | | | | -147.9 | 160.7 | 107.4 | 38.5 | -23.4 | 0 | 0 | 0 | 116.7 | | |
| 333 | E | 27.9 | Very low | 34.2 | Very low | 178 Ų | 178 | 135.8 Ų | 135.8 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | | | trans | 52.8 | 116.5 | 146.1 | -70.6 | -176.2 | -143 | 0 | 0 | 123.6 | | |
| 334 | R | 33.4 | Very low | 34.2 | Very low | 208 Ų | 208 | 139 Ų | 139 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | | | | 65.7 | 133.2 | 129.3 | -86.3 | -80.3 | -173.7 | 134.4 | -0.5 | 122 | | |
| 335 | E | 30.5 | Very low | 33.5 | Very low | 167 Ų | 167 | 139.7 Ų | 139.7 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | | | trans | 69.5 | 155.3 | 160.2 | -70.7 | 164.2 | -151.5 | 0 | 0 | 115.7 | | |
| 336 | G | 32.9 | Very low | 32.5 | Very low | 79 Ų | 79 | 144.7 Ų | 144.7 | 81% | 0.814 | 76% | 0.762 | S | S | * | * | | | trans | 112.1 | 111.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 337 | E | 31.1 | Very low | 32.6 | Very low | 177 Ų | 177 | 148.5 Ų | 148.5 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | | | trans | -80.8 | 163.4 | 174.9 | 57.6 | -153.4 | 125.5 | 0 | 0 | 114 | | |
| 338 | T | 33.2 | Very low | 32.5 | Very low | 129 Ų | 129 | 149 Ų | 149 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | | | trans | 89.4 | 129 | 160.3 | 67.7 | 0 | 0 | 0 | 0 | 122.8 | | |
| 339 | Q | 30.5 | Very low | 32.5 | Very low | 159 Ų | 159 | 144.1 Ų | 144.1 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | | | trans | 86.2 | 159.8 | 140.4 | -108.3 | -178.4 | 19.5 | 0 | 0 | 122.4 | | |
| 340 | M | 31.7 | Very low | 32.8 | Very low | 140 Ų | 140 | 147.1 Ų | 147.1 | 69% | 0.69 | 78% | 0.775 | S | S | * | * | | | trans | 70.4 | 132.6 | -170.2 | -46.9 | -53.5 | 151.5 | 0 | 0 | 113.6 | | |
| 341 | T | 30.2 | Very low | 32.9 | Very low | 134 Ų | 134 | 149 Ų | 149 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | | | cis | -137.5 | 157.4 | 14.9 | -64 | 0 | 0 | 0 | 0 | 112.6 | | |
| 342 | F | 29.5 | Very low | 32.9 | Very low | 167 Ų | 167 | 153.8 Ų | 153.8 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | | | trans | -80.3 | -174.5 | -178.8 | -65.7 | -88.4 | 0 | 0 | 0 | 114.1 | | |
| 343 | P | 43.1 | Very low | 32.3 | Very low | 110 Ų | 110 | 153.2 Ų | 153.2 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | | | cis | -130.5 | 161.9 | -10.9 | 20.1 | 3.2 | 0 | 0 | 0 | 115.6 | | |
| 344 | T | 33.5 | Very low | 32.4 | Very low | 130 Ų | 130 | 152.2 Ų | 152.2 | 80% | 0.798 | 78% | 0.779 | S | S | * | * | | | | -170.6 | 112.1 | 120 | -77.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 345 | H | 36.2 | Very low | 33 | Very low | 141 Ų | 141 | 149.5 Ų | 149.5 | 65% | 0.653 | 78% | 0.78 | S | S | * | * | | | trans | -59.4 | 163.6 | 163.5 | 56 | 13.1 | 0 | 0 | 0 | 112 | | |
| 346 | W | 31.1 | Very low | 33.3 | Very low | 214 Ų | 214 | 146.9 Ų | 146.9 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | | | cis | -151.1 | 169.8 | 13.9 | 8.9 | -112.4 | 0 | 0 | 0 | 109.6 | | |
| 347 | Q | 32.8 | Very low | 33.2 | Very low | 184 Ų | 184 | 152.4 Ų | 152.4 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | | | trans | -89.8 | 151.8 | -171.3 | -66.8 | 169.5 | -17.5 | 0 | 0 | 114.2 | | |
| 348 | L | 33.1 | Very low | 33.4 | Very low | 160 Ų | 160 | 153.1 Ų | 153.1 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | | | trans | 44.6 | 110.6 | 140.1 | -170.6 | 64.5 | 0 | 0 | 0 | 119.2 | | |
| 349 | G | 29.4 | Very low | 33.4 | Very low | 73 Ų | 73 | 151.6 Ų | 151.6 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | | | trans | -146.7 | 125 | 158.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 350 | E | 39.5 | Very low | 33.7 | Very low | 166 Ų | 166 | 150.7 Ų | 150.7 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | trans | -86.7 | -135.2 | 173.2 | -58.4 | -173.5 | 161.3 | 0 | 0 | 110.8 | | |
| 351 | W | 31.6 | Very low | 33.6 | Very low | 211 Ų | 211 | 149.4 Ų | 149.4 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | | | trans | 74.1 | 76.2 | 165 | -56.4 | 81.9 | 0 | 0 | 0 | 119.1 | | |
| 352 | K | 29.8 | Very low | 33.7 | Very low | 186 Ų | 186 | 146 Ų | 146 | 81% | 0.809 | 76% | 0.761 | S | S | * | * | | | | 27.2 | 101.4 | 120.6 | -64.3 | 152.2 | 53.3 | -170.3 | 0 | 118.5 | | |
| 353 | S | 28.2 | Very low | 33.8 | Very low | 105 Ų | 105 | 143.6 Ų | 143.6 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | | | trans | -174.7 | 123.7 | 138 | 29.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 354 | N | 29 | Very low | 33.6 | Very low | 156 Ų | 156 | 143.9 Ų | 143.9 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | | | | 78.6 | 101.9 | 71.3 | -67.8 | -27 | 0 | 0 | 0 | 113.8 | | |
| 355 | D | 45.2 | Very low | 33.8 | Very low | 151 Ų | 151 | 144.1 Ų | 144.1 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | | | trans | -55.8 | 136.1 | 164.3 | 166.6 | 39.4 | 0 | 0 | 0 | 111.2 | Y357 | D355-Y357 PolarHBondContact OD1-N 3.09Š|
| 356 | P | 38.5 | Very low | 33.7 | Very low | 112 Ų | 112 | 141.8 Ų | 141.8 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | | -142.2 | 123 | 119.6 | 33 | -16.6 | 0 | 0 | 0 | 115.7 | | |
| 357 | Y | 29.8 | Very low | 34 | Very low | 196 Ų | 196 | 138.4 Ų | 138.4 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | | | trans | 102 | 125.7 | 134.1 | -115.1 | -119.9 | 0 | 0 | 0 | 121.3 | D355 | D355-Y357 PolarHBondContact OD1-N 3.09Š|
| 358 | R | 34.7 | Very low | 34.3 | Very low | 192 Ų | 192 | 133 Ų | 133 | 73% | 0.725 | 77% | 0.773 | S | S | * | * | | | trans | 69.6 | 118.7 | 152.6 | -83.6 | -176.6 | 149.6 | -98.3 | -1.6 | 119.1 | | |
| 359 | S | 34.8 | Very low | 34.6 | Very low | 96 Ų | 96 | 132 Ų | 132 | 67% | 0.671 | 77% | 0.774 | S | S | * | * | | | | 86.7 | 148.2 | 64 | -74.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 360 | L | 36.5 | Very low | 35.1 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | | | cis | -164.6 | 161.2 | 11.9 | -126 | 165.6 | 0 | 0 | 0 | 111.7 | | |
| 361 | S | 29.5 | Very low | 35.1 | Very low | 113 Ų | 113 | 134 Ų | 134 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | | | trans | 71.1 | 142.2 | 152.4 | -160.5 | 0 | 0 | 0 | 0 | 119.4 | | |
| 362 | G | 32.5 | Very low | 35.4 | Very low | 62 Ų | 62 | 131.1 Ų | 131.1 | 64% | 0.639 | 78% | 0.781 | S | S | * | * | | | cis | 160.5 | 163.6 | -11.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 363 | S | 32 | Very low | 35.7 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | | | trans | 77.8 | 152.7 | 167 | -51.5 | 0 | 0 | 0 | 0 | 119.8 | | |
| 364 | S | 38.1 | Very low | 36.3 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | cis | 176.9 | 123.6 | -46.2 | -101.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 365 | T | 37.2 | Very low | 36.6 | Very low | 135 Ų | 135 | 132.9 Ų | 132.9 | 83% | 0.828 | 79% | 0.789 | S | S | * | * | | | trans | -150.9 | 108.6 | 151.3 | 48.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 366 | A | 34.5 | Very low | 36.2 | Very low | 93 Ų | 93 | 135.6 Ų | 135.6 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | | 68.7 | 117.6 | 83 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 367 | T | 37.3 | Very low | 36 | Very low | 142 Ų | 142 | 136.9 Ų | 136.9 | 87% | 0.871 | 80% | 0.799 | S | S | * | * | | | cis | -153.3 | 137.1 | 2.3 | -67 | 0 | 0 | 0 | 0 | 110.3 | | |
| 368 | G | 39.9 | Very low | 36.3 | Very low | 70 Ų | 70 | 138.2 Ų | 138.2 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | | | trans | -137.8 | 141.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 369 | T | 39.5 | Very low | 36.2 | Very low | 140 Ų | 140 | 134.1 Ų | 134.1 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | | | trans | -81.4 | 136.3 | -173.9 | 47.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 370 | T | 39.8 | Very low | 36 | Very low | 140 Ų | 140 | 133.6 Ų | 133.6 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | | | trans | -72.9 | 147.7 | -179.4 | 44.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 371 | V | 38.8 | Very low | 35.7 | Very low | 140 Ų | 140 | 132.1 Ų | 132.1 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | | | trans | -119.2 | 152.6 | 164.6 | 173.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 372 | I | 37.1 | Very low | 35.9 | Very low | 152 Ų | 152 | 136.1 Ų | 136.1 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | | | trans | -72.8 | 138.6 | -171.2 | -61 | 151.5 | 0 | 0 | 0 | 111.2 | | |
| 373 | E | 37.4 | Very low | 35.9 | Very low | 188 Ų | 188 | 138.2 Ų | 138.2 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | | | trans | -114.7 | 122 | 167.5 | -173.3 | 170.6 | -123.7 | 0 | 0 | 110.3 | | |
| 374 | C | 40.5 | Very low | 35.9 | Very low | 114 Ų | 114 | 141 Ų | 141 | 77% | 0.77 | 82% | 0.817 | S | S | * | * | | | trans | -112.5 | 94.5 | 174.2 | -70.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 375 | M | 35.9 | Very low | 35.6 | Very low | 181 Ų | 181 | 142.5 Ų | 142.5 | 89% | 0.892 | 82% | 0.815 | S | S | * | * | | | trans | -37.4 | 137.3 | 168.6 | 51.5 | 175.5 | 67.6 | 0 | 0 | 114.6 | | |
| 376 | K | 36.4 | Very low | 35.3 | Very low | 208 Ų | 208 | 142.5 Ų | 142.5 | 90% | 0.904 | 81% | 0.81 | S | S | * | * | | | trans | -136.7 | 139.3 | 152.2 | -171.5 | 160.7 | -177 | 171.8 | 0 | 110.8 | | |
| 377 | V | 34.2 | Very low | 35.1 | Very low | 140 Ų | 140 | 142.9 Ų | 142.9 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | | | trans | -75 | 152.3 | -168.4 | 177.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 378 | R | 35.6 | Very low | 35.4 | Very low | 224 Ų | 224 | 141.6 Ų | 141.6 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | | | trans | -92.8 | 136.8 | -179.2 | -176.7 | -172.1 | -169 | 115 | -2.4 | 112.4 | | |
| 379 | S | 32.3 | Very low | 34.8 | Very low | 105 Ų | 105 | 143.5 Ų | 143.5 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | | | trans | -149.7 | 132.2 | 155.7 | -149.7 | 0 | 0 | 0 | 0 | 104.9 | | |
| 380 | S | 30.8 | Very low | 34.3 | Very low | 86 Ų | 86 | 142.5 Ų | 142.5 | 60% | 0.601 | 80% | 0.797 | S | S | * | * | | | cis | 64.3 | 118.5 | 40.9 | -46.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 381 | S | 31.6 | Very low | 33.9 | Very low | 108 Ų | 108 | 141.4 Ų | 141.4 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | | | cis | -136 | -176.1 | -12.5 | -64.5 | 0 | 0 | 0 | 0 | 106.8 | | |
| 382 | E | 31.9 | Very low | 33.6 | Very low | 198 Ų | 198 | 145.8 Ų | 145.8 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | | | | -174.3 | 177.3 | 53.4 | -130.6 | 161.9 | 94.9 | 0 | 0 | 109.4 | | |
| 383 | S | 32.7 | Very low | 33.6 | Very low | 106 Ų | 106 | 143 Ų | 143 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | | | trans | -121.7 | 136.2 | -177.2 | 57.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 384 | L | 32.9 | Very low | 33.4 | Very low | 175 Ų | 175 | 140.4 Ų | 140.4 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | | | trans | -146 | 177.5 | 150.2 | -142.9 | 105.8 | 0 | 0 | 0 | 111.4 | | |
| 385 | L | 31.9 | Very low | 33.1 | Very low | 148 Ų | 148 | 140.3 Ų | 140.3 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | | | trans | -103.8 | 166.7 | -154.1 | -60.9 | 168.5 | 0 | 0 | 0 | 114.7 | | |
| 386 | D | 31.2 | Very low | 33.3 | Very low | 135 Ų | 135 | 138 Ų | 138 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | | | trans | 58.1 | 108.1 | 152.9 | -78.9 | -57 | 0 | 0 | 0 | 123.9 | | |
| 387 | S | 28.4 | Very low | 32.9 | Very low | 100 Ų | 100 | 132.8 Ų | 132.8 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | | | | 62.4 | 177 | 103.4 | -40.8 | 0 | 0 | 0 | 0 | 118.9 | | |
| 388 | P | 45.3 | Very low | 32.9 | Very low | 115 Ų | 115 | 133.2 Ų | 133.2 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | | | | -136.7 | 163.3 | -118.5 | 30.9 | -5.3 | 0 | 0 | 0 | 118.1 | | |
| 389 | S | 26.3 | Very low | 32.6 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | | | trans | -168.7 | 132.3 | 150 | -79.1 | 0 | 0 | 0 | 0 | 108.3 | | |
| 390 | T | 29 | Very low | 32.4 | Very low | 120 Ų | 120 | 129.9 Ų | 129.9 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | | | cis | 80 | 147.3 | 40.3 | 74.2 | 0 | 0 | 0 | 0 | 115 | | |
| 391 | S | 31.1 | Very low | 32.3 | Very low | 117 Ų | 117 | 133.4 Ų | 133.4 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | 74.4 | 149.9 | -172.1 | -48.3 | 0 | 0 | 0 | 0 | 115.1 | | |
| 392 | R | 32.5 | Very low | 32.1 | Very low | 232 Ų | 232 | 136.4 Ų | 136.4 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | | | cis | -147.4 | 154.6 | 2.2 | -157.4 | 170.3 | 178.1 | 147.3 | -2.1 | 110.4 | | |
| 393 | A | 38.4 | Very low | 32.6 | Very low | 92 Ų | 92 | 133 Ų | 133 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | | | trans | -105.5 | 142.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 394 | T | 32.3 | Very low | 32.5 | Very low | 135 Ų | 135 | 134.6 Ų | 134.6 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | | | trans | -160.2 | 146 | 167.2 | 10.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 395 | S | 34.1 | Very low | 32.6 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | | | trans | -73.1 | 173 | 171.3 | -45.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 396 | P | 39.7 | Very low | 32.7 | Very low | 131 Ų | 131 | 133.2 Ų | 133.2 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | | | | -151 | -171.9 | 89 | 41 | -23.3 | 0 | 0 | 0 | 115 | | |
| 397 | S | 29.7 | Very low | 32.6 | Very low | 100 Ų | 100 | 131.2 Ų | 131.2 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | | | trans | -147 | 156.8 | 164.1 | -157.1 | 0 | 0 | 0 | 0 | 111 | | |
| 398 | Q | 33 | Very low | 32.7 | Very low | 149 Ų | 149 | 131.6 Ų | 131.6 | 70% | 0.696 | 77% | 0.767 | S | S | * | * | | | trans | 74.8 | 111.2 | 169.2 | -55.6 | -61 | -51.1 | 0 | 0 | 120.1 | | |
| 399 | L | 29.7 | Very low | 31.8 | Very low | 160 Ų | 160 | 131.3 Ų | 131.3 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | | | trans | 64.8 | 126.6 | 135.6 | -53 | 175 | 0 | 0 | 0 | 122.3 | | |
| 400 | S | 28.2 | Very low | 32.8 | Very low | 98 Ų | 98 | 131.1 Ų | 131.1 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | | | | 179.8 | 156.6 | 107.1 | -163.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 401 | M | 29.1 | Very low | 32.8 | Very low | 161 Ų | 161 | 133.4 Ų | 133.4 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | | | trans | 43.2 | 146.9 | 148.9 | 66.6 | -155.5 | -76.1 | 0 | 0 | 122.6 | | |
| 402 | E | 27.3 | Very low | 33.3 | Very low | 170 Ų | 170 | 137 Ų | 137 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | | | cis | -171.6 | -170.7 | -10.4 | 176.7 | 162.6 | 105.3 | 0 | 0 | 109.2 | | |
| 403 | T | 40.7 | Very low | 34.4 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | | | trans | 90.6 | 55.9 | 166.4 | 65.5 | 0 | 0 | 0 | 0 | 120.5 | | |
| 404 | D | 31.2 | Very low | 34.7 | Very low | 140 Ų | 140 | 132.9 Ų | 132.9 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | | | | 24.9 | 159.7 | 112.6 | -158.7 | 20.3 | 0 | 0 | 0 | 123.1 | | |
| 405 | L | 35.7 | Very low | 34.6 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 60% | 0.597 | 76% | 0.758 | S | S | * | * | | | trans | 77.1 | 138.1 | 168.4 | -46.7 | 179.1 | 0 | 0 | 0 | 116.2 | | |
| 406 | K | 32.9 | Very low | 34.9 | Very low | 179 Ų | 179 | 131.4 Ų | 131.4 | 78% | 0.778 | 76% | 0.759 | S | S | * | * | | | cis | -164.3 | 154.8 | -4.4 | -107.6 | 162.8 | 179.5 | 123.3 | 0 | 105.8 | | |
| 407 | A | 29.4 | Very low | 34.4 | Very low | 93 Ų | 93 | 132.2 Ų | 132.2 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | | | cis | -150.7 | -145.4 | -3.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 408 | S | 30.1 | Very low | 34.7 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | cis | -163.5 | 164.1 | 2.7 | 49.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 409 | S | 27.9 | Very low | 35.3 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | | | trans | 1.6 | 154.8 | 156.3 | -70.1 | 0 | 0 | 0 | 0 | 123.9 | | |
| 410 | P | 46.4 | Very low | 35.2 | Very low | 106 Ų | 106 | 128.4 Ų | 128.4 | 69% | 0.688 | 76% | 0.755 | S | S | * | * | | | cis | -145 | -173.6 | -28 | 38.5 | -18.3 | 0 | 0 | 0 | 115.9 | | |
| 411 | L | 30.3 | Very low | 35.5 | Very low | 167 Ų | 167 | 129.5 Ų | 129.5 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | | | trans | 84.1 | 157.6 | 157.4 | -72.9 | 156.8 | 0 | 0 | 0 | 122 | | |
| 412 | K | 39.9 | Very low | 35.7 | Very low | 192 Ų | 192 | 125 Ų | 125 | 84% | 0.835 | 76% | 0.758 | S | S | * | * | | | trans | -132.9 | -176.5 | 176.8 | -70.4 | 176.6 | 173.7 | 175.1 | 0 | 107.3 | | |
| 413 | P | 57.4 | Low | 36.1 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | | | cis | -109.8 | -141.3 | -40.1 | 37.8 | -19.8 | 0 | 0 | 0 | 107.5 | | |
| 414 | P | 44.2 | Very low | 35.9 | Very low | 121 Ų | 121 | 126.6 Ų | 126.6 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | | | cis | -107.2 | -152 | -24.1 | 44.4 | -29.9 | 0 | 0 | 0 | 110.2 | | |
| 415 | G | 29.2 | Very low | 36.4 | Very low | 61 Ų | 61 | 124 Ų | 124 | 63% | 0.629 | 75% | 0.752 | S | S | * | * | | | cis | 113.7 | 155.5 | -7.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 416 | L | 40.2 | Very low | 36.9 | Very low | 156 Ų | 156 | 127 Ų | 127 | 82% | 0.817 | 76% | 0.763 | S | S | * | * | | | trans | 75 | 118.5 | -175.5 | -51 | -177.4 | 0 | 0 | 0 | 114.2 | | |
| 417 | I | 30.2 | Very low | 37.3 | Very low | 148 Ų | 148 | 123.3 Ų | 123.3 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | | | | 66.4 | 127.3 | 75 | 75.9 | 155 | 0 | 0 | 0 | 117.6 | | |
| 418 | S | 35.1 | Very low | 37.5 | Very low | 108 Ų | 108 | 127.8 Ų | 127.8 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | trans | 5.3 | 142.1 | 144.9 | -43.2 | 0 | 0 | 0 | 0 | 119.5 | | |
| 419 | P | 45.5 | Very low | 38.2 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | | | | -144.6 | 179.2 | 83 | 42.2 | -27.2 | 0 | 0 | 0 | 111.9 | | |
| 420 | S | 28.5 | Very low | 39.2 | Very low | 98 Ų | 98 | 129.1 Ų | 129.1 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | | | cis | 175.6 | -170.9 | -14.6 | 56.7 | 0 | 0 | 0 | 0 | 105.9 | | |
| 421 | S | 35.2 | Very low | 39 | Very low | 121 Ų | 121 | 129.6 Ų | 129.6 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | | | trans | 27.9 | 135.4 | 148.5 | -53.8 | 0 | 0 | 0 | 0 | 122.1 | | |
| 422 | G | 33.2 | Very low | 39.9 | Very low | 68 Ų | 68 | 127.6 Ų | 127.6 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | | | cis | 138.4 | 171.4 | -3.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 423 | Y | 35.2 | Very low | 39.6 | Very low | 229 Ų | 229 | 123.6 Ų | 123.6 | 90% | 0.898 | 76% | 0.756 | S | S | * | * | | | trans | 66.9 | 128.9 | 159.6 | -101.5 | -92.2 | 0 | 0 | 0 | 121.7 | | |
| 424 | S | 37 | Very low | 38.7 | Very low | 100 Ų | 100 | 124.2 Ų | 124.2 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | | | trans | 69.7 | 163.9 | 141.7 | -102.3 | 0 | 0 | 0 | 0 | 119.4 | | |
| 425 | S | 40.9 | Very low | 38.8 | Very low | 87 Ų | 87 | 123 Ų | 123 | 61% | 0.608 | 75% | 0.749 | S | S | * | * | | | cis | -155.7 | 167.8 | 3.8 | -131.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 426 | Q | 45.7 | Very low | 39 | Very low | 177 Ų | 177 | 127.2 Ų | 127.2 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | | | trans | 81.3 | 144 | 146.6 | -77.5 | 158.5 | -9.3 | 0 | 0 | 119.1 | | |
| 427 | S | 42.1 | Very low | 38.6 | Very low | 100 Ų | 100 | 124.5 Ų | 124.5 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | | | cis | -164.3 | 156 | -19 | 41.3 | 0 | 0 | 0 | 0 | 107.1 | | |
| 428 | E | 34.2 | Very low | 38.7 | Very low | 187 Ų | 187 | 125.7 Ų | 125.7 | 87% | 0.874 | 74% | 0.743 | S | S | * | * | | | | -157.9 | 178.3 | 73.3 | -98.4 | -172.3 | 99.3 | 0 | 0 | 115.1 | | |
| 429 | T | 43.1 | Very low | 38.5 | Very low | 122 Ų | 122 | 124 Ų | 124 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | | | trans | -106 | 177.2 | -157.1 | 11 | 0 | 0 | 0 | 0 | 113.1 | | |
| 430 | P | 49.4 | Very low | 38 | Very low | 124 Ų | 124 | 125 Ų | 125 | 81% | 0.805 | 75% | 0.747 | S | S | * | * | | | cis | -141 | 175 | 33.2 | 37.8 | -14.5 | 0 | 0 | 0 | 120.8 | | |
| 431 | T | 41.8 | Very low | 38.2 | Very low | 117 Ų | 117 | 127 Ų | 127 | 72% | 0.718 | 75% | 0.754 | S | S | * | * | | | trans | -57.6 | 154 | -177.1 | -0.1 | 0 | 0 | 0 | 0 | 116.6 | | |
| 432 | P | 49.8 | Very low | 37.9 | Very low | 124 Ų | 124 | 124.7 Ų | 124.7 | 81% | 0.805 | 75% | 0.749 | S | S | * | * | | | | -148.6 | -168.7 | 77.5 | 32.8 | -10.3 | 0 | 0 | 0 | 116.4 | | |
| 433 | T | 33.9 | Very low | 37.9 | Very low | 108 Ų | 108 | 127.2 Ų | 127.2 | 66% | 0.663 | 75% | 0.752 | S | S | * | * | | | cis | -173.2 | 108.4 | -47.9 | -74.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 434 | V | 37.8 | Very low | 37.8 | Very low | 131 Ų | 131 | 123.3 Ų | 123.3 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | | | | 53 | 145.6 | 128 | 160.9 | 0 | 0 | 0 | 0 | 121.8 | | |
| 435 | P | 46.4 | Very low | 37.6 | Very low | 94 Ų | 94 | 122 Ų | 122 | 61% | 0.61 | 76% | 0.755 | S | S | * | * | | | cis | -154 | -169.9 | -22.9 | 45.8 | -25.2 | 0 | 0 | 0 | 119 | | |
| 436 | M | 34.3 | Very low | 37.2 | Very low | 151 Ų | 151 | 123.4 Ų | 123.4 | 74% | 0.744 | 76% | 0.763 | S | S | * | * | | | trans | 71.2 | 150.5 | 144.4 | -69.8 | -14.4 | -176.8 | 0 | 0 | 122.2 | | |
| 437 | N | 30.9 | Very low | 36.5 | Very low | 98 Ų | 98 | 124 Ų | 124 | 52% | 0.524 | 76% | 0.762 | S | S | . | * | | | cis | -164.1 | 158.9 | -10.2 | -120.4 | -20 | 0 | 0 | 0 | 115.9 | | |
| 438 | H | 33.5 | Very low | 36.6 | Very low | 173 Ų | 173 | 126.5 Ų | 126.5 | 80% | 0.801 | 77% | 0.765 | S | S | * | * | | | trans | 56.3 | 142.9 | 158.6 | -44.9 | -39.7 | 0 | 0 | 0 | 119.3 | | |
| 439 | G | 30.2 | Very low | 37.4 | Very low | 72 Ų | 72 | 128.2 Ų | 128.2 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | | | cis | -161.4 | -155.6 | -0.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 440 | T | 34.4 | Very low | 37.3 | Very low | 145 Ų | 145 | 126.7 Ų | 126.7 | 89% | 0.89 | 76% | 0.755 | S | S | * | * | | | cis | -157.1 | -153.3 | -3.5 | -39.9 | 0 | 0 | 0 | 0 | 107.6 | | |
| 441 | V | 32.4 | Very low | 36.5 | Very low | 139 Ų | 139 | 129.9 Ų | 129.9 | 84% | 0.842 | 76% | 0.757 | S | S | * | * | | | trans | -138.4 | 146.1 | -174.1 | 174.5 | 0 | 0 | 0 | 0 | 114.4 | | |
| 442 | G | 30.2 | Very low | 36.5 | Very low | 72 Ų | 72 | 130.4 Ų | 130.4 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | | | trans | -166.4 | 147.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 443 | T | 33.2 | Very low | 36.5 | Very low | 122 Ų | 122 | 130.7 Ų | 130.7 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | | | trans | -131.1 | 169.6 | -171.9 | 55.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 444 | T | 32.3 | Very low | 37 | Very low | 146 Ų | 146 | 132 Ų | 132 | 90% | 0.896 | 75% | 0.754 | S | S | * | * | | | trans | 74 | 149 | 176.2 | 80.1 | 0 | 0 | 0 | 0 | 116.1 | | |
| 445 | G | 33.8 | Very low | 37.3 | Very low | 74 Ų | 74 | 135.4 Ų | 135.4 | 76% | 0.763 | 75% | 0.753 | S | S | * | * | | | trans | 141.7 | 102.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 446 | C | 31.2 | Very low | 37.2 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 78% | 0.777 | 76% | 0.764 | S | S | * | * | | | trans | -79.2 | -162.4 | 156 | -36.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 447 | K | 32.4 | Very low | 37.2 | Very low | 190 Ų | 190 | 138.1 Ų | 138.1 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | | | trans | 87.1 | 137.3 | 156.6 | -41.9 | 166.1 | -167.2 | 174.1 | 0 | 116.3 | | |
| 448 | M | 44.3 | Very low | 37.4 | Very low | 153 Ų | 153 | 137.8 Ų | 137.8 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | | | trans | 67 | 99 | 156.6 | -46.1 | -34.2 | -66.8 | 0 | 0 | 120.4 | P450 | M448-P450 VanDerWaalsContact O-CD 3.31Å; M448-P450 WeakPolarHBondContact O-CD 3Å |
| 449 | R | 50.1 | Low | 37.6 | Very low | 223 Ų | 223 | 137.3 Ų | 137.3 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | | | trans | -61.8 | 124.2 | 131.3 | 169.2 | -175.1 | -179.3 | 167.8 | 1.3 | 110.3 | | |
| 450 | P | 41.7 | Very low | 38.1 | Very low | 89 Ų | 89 | 139.5 Ų | 139.5 | 58% | 0.578 | 77% | 0.773 | S | S | * | * | | | trans | -137.1 | 171.3 | 134 | 17.2 | 5.5 | 0 | 0 | 0 | 111 | M448 | M448-P450 VanDerWaalsContact O-CD 3.31Å; M448-P450 WeakPolarHBondContact O-CD 3Å |
| 451 | K | 31.7 | Very low | 37.9 | Very low | 192 Ų | 192 | 137.7 Ų | 137.7 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | | | cis | -150.3 | 157.1 | -4.7 | -116.4 | 153.4 | -166.9 | 172.9 | 0 | 107.5 | | |
| 452 | I | 43 | Very low | 38.4 | Very low | 128 Ų | 128 | 137 Ų | 137 | 66% | 0.656 | 77% | 0.765 | S | S | * | * | | | trans | -88.2 | 131.1 | 165.5 | -64.9 | 166.8 | 0 | 0 | 0 | 107.6 | E454 | I452-E454 PolarHBondContact O-N 3.37Š|
| 453 | P | 48.3 | Very low | 38.5 | Very low | 129 Ų | 129 | 141.6 Ų | 141.6 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | | | trans | -66.7 | 109 | 158.7 | -18.4 | 33.1 | 0 | 0 | 0 | 108.9 | | |
| 454 | E | 44.7 | Very low | 38.3 | Very low | 136 Ų | 136 | 142 Ų | 142 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | | | trans | -85 | 176.8 | -171.5 | -64 | -170.9 | 125.1 | 0 | 0 | 114.5 | I452 | I452-E454 PolarHBondContact O-N 3.37Š|
| 455 | R | 44.4 | Very low | 38.9 | Very low | 203 Ų | 203 | 140.5 Ų | 140.5 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | | | trans | 78.3 | 137.6 | 156.6 | -26.7 | -172.3 | 85.2 | 78 | -6.1 | 113.4 | | |
| 456 | K | 44.9 | Very low | 38.7 | Very low | 194 Ų | 194 | 142.1 Ų | 142.1 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | S | Bend | cis | -138.4 | 158.6 | 19.7 | -40 | -178.8 | -177 | 178.7 | 0 | 108.2 | | |
| 457 | S | 34.6 | Very low | 38.6 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | | | cis | -171.5 | 160.3 | 0.8 | 19.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 458 | S | 34.2 | Very low | 38.7 | Very low | 90 Ų | 90 | 143.4 Ų | 143.4 | 63% | 0.629 | 76% | 0.756 | S | S | * | * | | | cis | 178 | 152.1 | -24.6 | 54.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 459 | L | 37.8 | Very low | 37.9 | Very low | 163 Ų | 163 | 140.5 Ų | 140.5 | 85% | 0.853 | 75% | 0.75 | S | S | * | * | | | trans | 74.3 | 159.1 | 165.1 | -53.4 | 170.9 | 0 | 0 | 0 | 117.2 | | |
| 460 | P | 40.3 | Very low | 37.3 | Very low | 118 Ų | 118 | 140.9 Ų | 140.9 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | | | | -135.2 | 176.4 | -53.6 | 39.2 | -24.3 | 0 | 0 | 0 | 114.1 | | |
| 461 | S | 30.5 | Very low | 37 | Very low | 108 Ų | 108 | 143.2 Ų | 143.2 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | | | trans | -83.9 | 161.6 | 172.2 | 59.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 462 | P | 43.6 | Very low | 37 | Very low | 125 Ų | 125 | 138.5 Ų | 138.5 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | | | | -151 | -168.8 | 91.8 | 37.6 | -18.2 | 0 | 0 | 0 | 114.5 | | |
| 463 | K | 30.7 | Very low | 36.8 | Very low | 168 Ų | 168 | 142.1 Ų | 142.1 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | | | | -177.1 | 124.3 | -53.7 | 178.2 | 178 | 173.4 | -174.9 | 0 | 110.3 | | |
| 464 | D | 29 | Very low | 36.1 | Very low | 131 Ų | 131 | 145.5 Ų | 145.5 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | trans | 59.6 | -175.5 | 161.8 | -70 | -41.3 | 0 | 0 | 0 | 117 | | |
| 465 | P | 46.4 | Very low | 36 | Very low | 114 Ų | 114 | 146.7 Ų | 146.7 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | | | | -134.4 | -171.7 | -60.6 | 39.2 | -25 | 0 | 0 | 0 | 114.7 | | |
| 466 | S | 28.8 | Very low | 36.3 | Very low | 107 Ų | 107 | 142.8 Ų | 142.8 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | trans | 84.9 | 106.5 | 141.8 | -169 | 0 | 0 | 0 | 0 | 121 | | |
| 467 | A | 28.9 | Very low | 35.6 | Very low | 84 Ų | 84 | 137.2 Ų | 137.2 | 69% | 0.694 | 77% | 0.772 | S | S | * | * | | | | 46 | 154.4 | 122.8 | 0 | 0 | 0 | 0 | 0 | 123.5 | | |
| 468 | R | 33.7 | Very low | 35.6 | Very low | 249 Ų | 249 | 140.1 Ų | 140.1 | 94% | 0.94 | 78% | 0.779 | S | S | * | * | | | trans | 72.1 | 163.6 | 166 | -65.6 | 175.5 | 176.3 | 169.5 | -1.4 | 115.4 | | |
| 469 | S | 29.3 | Very low | 35.5 | Very low | 91 Ų | 91 | 140.1 Ų | 140.1 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | | | cis | 179.1 | 142.7 | -32.2 | -178.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 470 | R | 37.4 | Very low | 35.3 | Very low | 232 Ų | 232 | 140.3 Ų | 140.3 | 88% | 0.875 | 78% | 0.78 | S | S | * | * | | | trans | 62.6 | 172.5 | 165.6 | -77.7 | 178.3 | 169 | 159.5 | -3.8 | 114.8 | | |
| 471 | L | 33.8 | Very low | 35.2 | Very low | 137 Ų | 137 | 140.8 Ų | 140.8 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | | | cis | -172.4 | 151.8 | -33.5 | 175.5 | 64.7 | 0 | 0 | 0 | 106.7 | | |
| 472 | S | 31.9 | Very low | 35.3 | Very low | 93 Ų | 93 | 143.9 Ų | 143.9 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | | | trans | 61.9 | 128.4 | 173.1 | 32.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 473 | F | 38.8 | Very low | 35 | Very low | 205 Ų | 205 | 146.4 Ų | 146.4 | 90% | 0.899 | 78% | 0.784 | S | S | * | * | | | | 68.5 | 98.2 | 54.5 | -78.9 | -74.4 | 0 | 0 | 0 | 114.4 | | |
| 474 | E | 33.7 | Very low | 35.3 | Very low | 199 Ų | 199 | 143.5 Ų | 143.5 | 93% | 0.93 | 79% | 0.785 | S | S | * | * | | | trans | -146.4 | 163.2 | 146.9 | -161.8 | 163.7 | -178.3 | 0 | 0 | 108.6 | | |
| 475 | M | 44.2 | Very low | 35.4 | Very low | 161 Ų | 161 | 140.8 Ų | 140.8 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | | | trans | -165.1 | 172.1 | -158 | -170.5 | 155.9 | 174.1 | 0 | 0 | 108.2 | | |
| 476 | P | 49.7 | Very low | 35 | Very low | 121 Ų | 121 | 141.3 Ų | 141.3 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | | | cis | -120.3 | 179.2 | -13 | 15.3 | 10.1 | 0 | 0 | 0 | 114.1 | | |
| 477 | G | 31.2 | Very low | 35.5 | Very low | 77 Ų | 77 | 143.2 Ų | 143.2 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | | | trans | -173.5 | 140.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 478 | N | 33.6 | Very low | 35.9 | Very low | 170 Ų | 170 | 144.9 Ų | 144.9 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | | | trans | -102.6 | 147.7 | -157.9 | -135.4 | 4.2 | 0 | 0 | 0 | 115.9 | | |
| 479 | A | 33.1 | Very low | 35.9 | Very low | 89 Ų | 89 | 142.6 Ų | 142.6 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | | | trans | 86.8 | 134.2 | 150.1 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 480 | H | 32.1 | Very low | 36.1 | Very low | 167 Ų | 167 | 147.2 Ų | 147.2 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | trans | 98.1 | 99.8 | 138.9 | -142 | -85 | 0 | 0 | 0 | 122.7 | | |
| 481 | L | 38.2 | Very low | 35.8 | Very low | 128 Ų | 128 | 146.1 Ų | 146.1 | 67% | 0.67 | 78% | 0.781 | S | S | * | * | | | trans | 17.2 | 139.7 | 132 | -56.9 | 176.2 | 0 | 0 | 0 | 120 | | |
| 482 | E | 33 | Very low | 35.8 | Very low | 174 Ų | 174 | 144 Ų | 144 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | | | cis | -147.7 | 178.4 | 2.5 | -79.4 | -134.7 | 131.8 | 0 | 0 | 111.4 | | |
| 483 | L | 37.8 | Very low | 35.8 | Very low | 178 Ų | 178 | 145.1 Ų | 145.1 | 93% | 0.932 | 79% | 0.791 | S | S | * | * | | | trans | -131.6 | 161.8 | -178.2 | -82.8 | 178.8 | 0 | 0 | 0 | 116.1 | | |
| 484 | S | 36.8 | Very low | 35.4 | Very low | 107 Ų | 107 | 145 Ų | 145 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | trans | -129.4 | 154.3 | -175.6 | 61.1 | 0 | 0 | 0 | 0 | 115.2 | | |
| 485 | S | 32.1 | Very low | 35.4 | Very low | 74 Ų | 74 | 142.9 Ų | 142.9 | 52% | 0.517 | 77% | 0.768 | S | S | . | * | | | trans | 46.3 | 116.2 | 148.4 | -64.1 | 0 | 0 | 0 | 0 | 124.7 | A503 | S485-A503 WeakPolarHBondContact OG-CB 3.37Š|
| 486 | L | 36.3 | Very low | 35 | Very low | 125 Ų | 125 | 142.3 Ų | 142.3 | 65% | 0.654 | 76% | 0.763 | S | S | * | * | | | trans | 75.9 | 160.3 | 141.2 | -57.1 | 170.9 | 0 | 0 | 0 | 119.1 | A502 | L486-A502 HydrophobicContact CD2-CB 4.25Š|
| 487 | K | 40.3 | Very low | 34.3 | Very low | 146 Ų | 146 | 141 Ų | 141 | 64% | 0.635 | 76% | 0.756 | S | S | * | * | | | cis | -165.5 | 124.6 | -37 | -114.3 | -65.4 | -161.4 | -162.8 | 0 | 111.2 | T501 | K487-T501 WeakPolarHBondContact CD-O 2.91Å; K487-T501 WeakPolarHBondContact CE-O 3.39Å; K487-T501 PolarHBondContact NZ-O 2.97Å |
| 488 | P | 36 | Very low | 34.3 | Very low | 119 Ų | 119 | 144.4 Ų | 144.4 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | | | trans | -127.1 | 178.1 | -179 | 41 | -30 | 0 | 0 | 0 | 117.8 | | |
| 489 | K | 35.1 | Very low | 34.5 | Very low | 202 Ų | 202 | 142 Ų | 142 | 88% | 0.878 | 75% | 0.748 | S | S | * | * | | | trans | -149.6 | 133.8 | 167.1 | -98.9 | -168.4 | 179.1 | 179.2 | 0 | 112.1 | | |
| 490 | Q | 33 | Very low | 34.9 | Very low | 187 Ų | 187 | 143.1 Ų | 143.1 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | | | | 164.5 | 153.6 | 117.8 | -97.4 | -163.6 | -112.6 | 0 | 0 | 116.6 | | |
| 491 | K | 30.5 | Very low | 35.2 | Very low | 210 Ų | 210 | 139.5 Ų | 139.5 | 91% | 0.913 | 74% | 0.74 | S | S | * | * | | | trans | 77.8 | 169.1 | 163.1 | -143.8 | 161.8 | -177.2 | 177.1 | 0 | 116.6 | | |
| 492 | A | 33.8 | Very low | 34.9 | Very low | 93 Ų | 93 | 135.2 Ų | 135.2 | 77% | 0.769 | 72% | 0.724 | S | S | * | * | | | trans | -125.6 | 141.3 | -149.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 493 | S | 32 | Very low | 34.8 | Very low | 116 Ų | 116 | 130 Ų | 130 | 81% | 0.811 | 71% | 0.71 | S | S | * | * | | | trans | -163.6 | 149.4 | 152.5 | -160.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 494 | R | 31.5 | Very low | 35 | Very low | 202 Ų | 202 | 131.1 Ų | 131.1 | 76% | 0.762 | 71% | 0.707 | S | S | * | * | S | Bend | trans | 17.1 | 106.5 | 146.1 | -167.4 | 178.7 | -168.3 | -97.9 | 9 | 120.6 | | |
| 495 | R | 34 | Very low | 35.2 | Very low | 155 Ų | 155 | 132.2 Ų | 132.2 | 59% | 0.585 | 71% | 0.712 | S | S | * | * | | | trans | 69.6 | 154.6 | 152.7 | -59.7 | 174.7 | 167 | -93.7 | 4.5 | 118.3 | | |
| 496 | H | 34.1 | Very low | 35 | Very low | 149 Ų | 149 | 131.8 Ų | 131.8 | 69% | 0.69 | 72% | 0.72 | S | S | * | * | | | trans | 67 | 125.8 | 171.2 | -56.4 | -62.8 | 0 | 0 | 0 | 112.9 | | |
| 497 | S | 35 | Very low | 34.9 | Very low | 92 Ų | 92 | 135.5 Ų | 135.5 | 64% | 0.643 | 73% | 0.731 | S | S | * | * | | | | 73.8 | 135 | 88.7 | -50.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 498 | D | 32.5 | Very low | 34.5 | Very low | 149 Ų | 149 | 136 Ų | 136 | 80% | 0.797 | 74% | 0.739 | S | S | * | * | | | trans | 70.3 | 157.3 | 162.6 | -51.4 | -51.8 | 0 | 0 | 0 | 118.7 | | |
| 499 | T | 36.9 | Very low | 34.3 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | | | cis | 165.8 | 124 | -39.2 | -89.3 | 0 | 0 | 0 | 0 | 105.9 | | |
| 500 | S | 41.2 | Very low | 34.4 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | | | trans | 62.6 | 175.1 | 177.5 | -116.3 | 0 | 0 | 0 | 0 | 115.2 | | |
| 501 | T | 38.6 | Very low | 34.4 | Very low | 90 Ų | 90 | 129.1 Ų | 129.1 | 55% | 0.552 | 74% | 0.736 | S | S | * | * | | | cis | -116.6 | -177.9 | 8.4 | 61.9 | 0 | 0 | 0 | 0 | 110.8 | K487 | K487-T501 WeakPolarHBondContact CD-O 2.91Å; K487-T501 WeakPolarHBondContact CE-O 3.39Å; K487-T501 PolarHBondContact NZ-O 2.97Å |
| 502 | A | 32.9 | Very low | 34.8 | Very low | 39 Ų | 39 | 124.5 Ų | 124.5 | 32% | 0.322 | 73% | 0.73 | S | S | . | * | | | cis | -143.9 | 171.5 | -0.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | L486 | L486-A502 HydrophobicContact CD2-CB 4.25Š|
| 503 | A | 31.4 | Very low | 35.1 | Very low | 65 Ų | 65 | 125.5 Ų | 125.5 | 54% | 0.537 | 73% | 0.731 | S | S | . | * | | | cis | -139.6 | 167.9 | 8.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S485 | S485-A503 WeakPolarHBondContact OG-CB 3.37Š|
| 504 | K | 41.6 | Very low | 35.7 | Very low | 200 Ų | 200 | 128.8 Ų | 128.8 | 87% | 0.87 | 73% | 0.734 | S | S | * | * | | | trans | -96.1 | 178.3 | 175.9 | -83.6 | 178.4 | 179.2 | 176.2 | 0 | 110.2 | | |
| 505 | P | 39.8 | Very low | 36.2 | Very low | 131 Ų | 131 | 124 Ų | 124 | 85% | 0.851 | 74% | 0.738 | S | S | * | * | | | cis | -120.6 | 173.2 | 3.6 | 40.4 | -26.6 | 0 | 0 | 0 | 114.1 | | |
| 506 | G | 29.4 | Very low | 36.6 | Very low | 65 Ų | 65 | 123.8 Ų | 123.8 | 67% | 0.67 | 75% | 0.747 | S | S | * | * | | | cis | -177 | -171.4 | -1.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 507 | K | 33.3 | Very low | 37.5 | Very low | 203 Ų | 203 | 122.4 Ų | 122.4 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | | | trans | 66.5 | 79.5 | 176.9 | -60 | -74.4 | -173.8 | 171.7 | 0 | 117.8 | | |
| 508 | I | 32.3 | Very low | 38.8 | Very low | 157 Ų | 157 | 126 Ų | 126 | 81% | 0.805 | 76% | 0.76 | S | S | * | * | | | trans | 16 | 117.8 | 141.2 | 47.4 | 161.1 | 0 | 0 | 0 | 121.3 | | |
| 509 | S | 32.2 | Very low | 40.6 | Very low | 115 Ų | 115 | 123.7 Ų | 123.7 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | | | | 176.4 | 129.4 | 122 | -78.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 510 | P | 36 | Very low | 42.5 | Very low | 136 Ų | 136 | 121.4 Ų | 121.4 | 88% | 0.883 | 74% | 0.737 | S | S | * | * | | | trans | -96.3 | 127.8 | 178.1 | 34.5 | -30.6 | 0 | 0 | 0 | 113.3 | | |
| 511 | S | 33.3 | Very low | 44.1 | Very low | 112 Ų | 112 | 122.6 Ų | 122.6 | 78% | 0.783 | 73% | 0.73 | S | S | * | * | | | trans | -114.9 | 111 | 178.2 | 57.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 512 | S | 38.3 | Very low | 45.7 | Very low | 113 Ų | 113 | 123.4 Ų | 123.4 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | | | trans | -171.3 | 88.2 | 165.7 | -175.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 513 | S | 40.6 | Very low | 47.8 | Very low | 113 Ų | 113 | 126.1 Ų | 126.1 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | | | | 68.9 | 35.3 | 54.8 | -47.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 514 | Q | 44.2 | Very low | 50 | Low | 185 Ų | 185 | 127.8 Ų | 127.8 | 86% | 0.864 | 74% | 0.737 | S | S | * | * | | | trans | -74.4 | 117.5 | 144.7 | -78.1 | -170.3 | -24.7 | 0 | 0 | 108.8 | L516 | Q514-L516 PolarHBondContact O-N 3.31Š|
| 515 | A | 42.4 | Very low | 51.3 | Low | 102 Ų | 102 | 124.8 Ų | 124.8 | 84% | 0.843 | 72% | 0.723 | S | S | * | * | | | trans | -74.9 | 112.7 | -177 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 516 | L | 42.1 | Very low | 52.9 | Low | 150 Ų | 150 | 123.9 Ų | 123.9 | 79% | 0.785 | 72% | 0.716 | S | S | * | * | | | trans | -67.8 | 147.6 | 160.4 | -62.7 | 175.7 | 0 | 0 | 0 | 109.3 | Q514 M518 | Q514-L516 PolarHBondContact O-N 3.31Å; L516-M518 PolarHBondContact O-N 3.29Å |
| 517 | P | 53.9 | Low | 55 | Low | 120 Ų | 120 | 125.6 Ų | 125.6 | 78% | 0.779 | 71% | 0.708 | S | S | * | * | | | trans | -68.3 | 96.2 | 170.8 | 28.9 | -33.2 | 0 | 0 | 0 | 109.5 | V519 | P517-V519 PolarHBondContact O-N 3.22Å; P517-V519 VanDerWaalsContact O-N 3.11Å |
| 518 | M | 62.3 | Low | 56.9 | Low | 169 Ų | 169 | 127.1 Ų | 127.1 | 83% | 0.833 | 71% | 0.709 | S | S | * | * | | | trans | -62.9 | 110 | 172.1 | -74.4 | 174.8 | 60.2 | 0 | 0 | 109.3 | L516 T520 | L516-M518 PolarHBondContact O-N 3.29Å; M518-T520 PolarHBondContact O-N 3.15Å; M518-T520 VanDerWaalsContact O-N 3.12Å |
| 519 | V | 70 | Confident | 59 | Low | 99 Ų | 99 | 126.8 Ų | 126.8 | 60% | 0.6 | 71% | 0.707 | S | S | * | * | | | trans | -62.9 | 114.5 | 172.7 | 179.9 | 0 | 0 | 0 | 0 | 108.2 | P517 E523 L524 | P517-V519 PolarHBondContact O-N 3.22Å; P517-V519 VanDerWaalsContact O-N 3.11Å; V519-E523 HydrophobicContact CG1-CB 4.2Å; V519-L524 HydrophobicContact CG1-CD2 3.85Å; V519-L524 HydrophobicContact CG1-CG 4.03Å |
| 520 | T | 76.6 | Confident | 60.4 | Low | 72 Ų | 72 | 132.2 Ų | 132.2 | 44% | 0.442 | 71% | 0.711 | S | S | . | * | | | trans | -75.4 | 152.6 | -177 | 62.5 | 0 | 0 | 0 | 0 | 111.1 | M518 N522 E523 L524 | M518-T520 PolarHBondContact O-N 3.15Å; M518-T520 VanDerWaalsContact O-N 3.12Å; T520-N522 PolarHBondContact O-N 2.91Å; T520-E523 WeakPolarHBondContact CB-OE2 3.22Å; T520-E523 PolarHBondContact N-OE2 3.2Å; T520-E523 PolarHBondContact O-N 3.22Å; T520-E523 WeakPolarHBondContact OG1-CG 3.46Å; T520-E523 PolarHBondContact OG1-N 3.5Å; T520-E523 PolarHBondContact OG1-OE2 3.31Å; T520-L524 PolarHBondContact O-N 2.95Å |
| 521 | Q | 74.1 | Confident | 61.3 | Low | 139 Ų | 139 | 131.6 Ų | 131.6 | 65% | 0.65 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -59.9 | -22.1 | 175.8 | -153.8 | -157 | 47.7 | 0 | 0 | 112.4 | K525 | Q521-K525 WeakPolarHBondContact O-CD 3.37Å; Q521-K525 WeakPolarHBondContact O-CE 3.49Å; Q521-K525 VanDerWaalsContact O-CG 3.28Å; Q521-K525 WeakPolarHBondContact O-CG 3.26Å; Q521-K525 PolarHBondContact O-N 2.93Å; Q521-K525 VanDerWaalsContact OE1-CE 3.27Å |
| 522 | N | 73.8 | Confident | 61.7 | Low | 106 Ų | 106 | 132.7 Ų | 132.7 | 57% | 0.567 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -80 | -33.9 | 174.9 | -77.6 | 3.3 | 0 | 0 | 0 | 113.1 | T520 L524 K525 T526 | T520-N522 PolarHBondContact O-N 2.91Å; N522-L524 VanDerWaalsContact C-N 3.34Å; N522-K525 PolarHBondContact O-N 2.91Å; N522-K525 PolarHBondContact OD1-NZ 2.69Å; N522-T526 PolarHBondContact O-N 3.33Å |
| 523 | E | 77 | Confident | 62.1 | Low | 97 Ų | 97 | 132.9 Ų | 132.9 | 45% | 0.453 | 71% | 0.712 | S | S | . | * | H | α-helix | trans | -61.6 | -44.4 | 171.7 | -76.5 | 162.7 | 119.1 | 0 | 0 | 110.8 | V519 T520 K525 T526 | V519-E523 HydrophobicContact CG1-CB 4.2Å; T520-E523 WeakPolarHBondContact CB-OE2 3.22Å; T520-E523 PolarHBondContact N-OE2 3.2Å; T520-E523 PolarHBondContact O-N 3.22Å; T520-E523 WeakPolarHBondContact OG1-CG 3.46Å; T520-E523 PolarHBondContact OG1-N 3.5Å; T520-E523 PolarHBondContact OG1-OE2 3.31Å; E523-K525 VanDerWaalsContact C-N 3.29Å; E523-K525 PolarHBondContact O-N 3.07Å; E523-T526 PolarHBondContact O-N 3.02Å; E523-T526 PolarHBondContact O-OG1 3.07Å |
| 524 | L | 76 | Confident | 62.2 | Low | 100 Ų | 100 | 138.8 Ų | 138.8 | 52% | 0.524 | 72% | 0.717 | S | S | . | * | H | α-helix | trans | -55.1 | -42.8 | 174.1 | -64 | 178.1 | 0 | 0 | 0 | 112.3 | V519 T520 N522 T526 I527 | V519-L524 HydrophobicContact CG1-CD2 3.85Å; V519-L524 HydrophobicContact CG1-CG 4.03Å; T520-L524 PolarHBondContact O-N 2.95Å; N522-L524 VanDerWaalsContact C-N 3.34Å; L524-T526 PolarHBondContact O-N 3.29Å; L524-I527 HydrophobicContact CD2-CD1 4.1Å; L524-I527 PolarHBondContact O-N 3.06Å; L524-I527 VanDerWaalsContact O-N 3.07Å |
| 525 | K | 70.3 | Confident | 62.1 | Low | 136 Ų | 136 | 132.9 Ų | 132.9 | 59% | 0.591 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -64.1 | -18.3 | 176.6 | -67.6 | 165.2 | -160.1 | 165.4 | 0 | 113.7 | Q521 N522 E523 | Q521-K525 WeakPolarHBondContact O-CD 3.37Å; Q521-K525 WeakPolarHBondContact O-CE 3.49Å; Q521-K525 VanDerWaalsContact O-CG 3.28Å; Q521-K525 WeakPolarHBondContact O-CG 3.26Å; Q521-K525 PolarHBondContact O-N 2.93Å; Q521-K525 VanDerWaalsContact OE1-CE 3.27Å; N522-K525 PolarHBondContact O-N 2.91Å; N522-K525 PolarHBondContact OD1-NZ 2.69Å; E523-K525 VanDerWaalsContact C-N 3.29Å; E523-K525 PolarHBondContact O-N 3.07Å |
| 526 | T | 72.1 | Confident | 61.9 | Low | 112 Ų | 112 | 135.6 Ų | 135.6 | 69% | 0.687 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -87.6 | -10.6 | 174.1 | 67.4 | 0 | 0 | 0 | 0 | 114.2 | N522 E523 L524 R528 | N522-T526 PolarHBondContact O-N 3.33Å; E523-T526 PolarHBondContact O-N 3.02Å; E523-T526 PolarHBondContact O-OG1 3.07Å; L524-T526 PolarHBondContact O-N 3.29Å; T526-R528 PolarHBondContact O-N 2.82Å |
| 527 | I | 74.1 | Confident | 62.3 | Low | 101 Ų | 101 | 135.6 Ų | 135.6 | 52% | 0.518 | 71% | 0.706 | S | S | . | * | | | trans | -79.1 | 81.5 | -178.1 | -52.3 | 179.1 | 0 | 0 | 0 | 110.2 | L524 L529 | L524-I527 HydrophobicContact CD2-CD1 4.1Å; L524-I527 PolarHBondContact O-N 3.06Å; L524-I527 VanDerWaalsContact O-N 3.07Å; I527-L529 VanDerWaalsContact C-N 3.31Å; I527-L529 HydrophobicContact CG2-CD2 3.77Å; I527-L529 HydrophobicContact CG2-CG 4.14Å; I527-L529 PolarHBondContact O-N 3.42Å |
| 528 | R | 74.4 | Confident | 61.9 | Low | 236 Ų | 236 | 137.9 Ų | 137.9 | 89% | 0.891 | 71% | 0.706 | S | S | * | * | | | trans | -72.9 | 85 | 171 | -169.7 | 177.8 | 179.9 | 96.4 | -0.1 | 110.8 | T526 | T526-R528 PolarHBondContact O-N 2.82Š|
| 529 | L | 74.6 | Confident | 60.8 | Low | 149 Ų | 149 | 137.6 Ų | 137.6 | 78% | 0.78 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 146.1 | 168.8 | -62.2 | -179.8 | 0 | 0 | 0 | 110.5 | I527 | I527-L529 VanDerWaalsContact C-N 3.31Å; I527-L529 HydrophobicContact CG2-CD2 3.77Å; I527-L529 HydrophobicContact CG2-CG 4.14Å; I527-L529 PolarHBondContact O-N 3.42Å |
| 530 | R | 61.9 | Low | 59.4 | Low | 230 Ų | 230 | 138 Ų | 138 | 87% | 0.868 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 119.2 | 171.9 | -65.5 | -174.7 | -64.8 | 127.8 | 3.6 | 107.8 | V532 | R530-V532 PolarHBondContact O-N 3.38Š|
| 531 | S | 54.4 | Low | 58.1 | Low | 123 Ų | 123 | 140.9 Ų | 140.9 | 86% | 0.86 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 127 | 173.4 | 43.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 532 | V | 42.9 | Very low | 56.2 | Low | 135 Ų | 135 | 142 Ų | 142 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 122.3 | 163.1 | -73.2 | 0 | 0 | 0 | 0 | 106.9 | R530 R534 | R530-V532 PolarHBondContact O-N 3.38Å; V532-R534 PolarHBondContact O-N 2.94Å |
| 533 | S | 46 | Very low | 54.4 | Low | 116 Ų | 116 | 140.7 Ų | 140.7 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 118.3 | 172 | -170.6 | 0 | 0 | 0 | 0 | 108.2 | G535 | S533-G535 PolarHBondContact O-N 3.19Š|
| 534 | R | 43.1 | Very low | 52.3 | Low | 238 Ų | 238 | 140 Ų | 140 | 90% | 0.898 | 77% | 0.767 | S | S | * | * | | | trans | -77.8 | 102.4 | 153.1 | -82.6 | -169.3 | 172.3 | -150.2 | 0.7 | 106 | V532 | V532-R534 PolarHBondContact O-N 2.94Š|
| 535 | G | 42.3 | Very low | 50.4 | Low | 60 Ų | 60 | 140.5 Ų | 140.5 | 62% | 0.619 | 78% | 0.779 | S | S | * | * | | | trans | -96.9 | 140.9 | 159.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | S533 | S533-G535 PolarHBondContact O-N 3.19Š|
| 536 | D | 37.9 | Very low | 48.8 | Very low | 159 Ų | 159 | 141.8 Ų | 141.8 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | | | trans | 64.1 | 104.9 | 171.1 | -108.2 | -31 | 0 | 0 | 0 | 118.5 | | |
| 537 | L | 49.8 | Very low | 47.1 | Very low | 150 Ų | 150 | 141.8 Ų | 141.8 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | | | trans | -156.6 | 66.9 | 149.1 | -178.5 | 63 | 0 | 0 | 0 | 107.5 | | |
| 538 | E | 47.3 | Very low | 45.2 | Very low | 169 Ų | 169 | 144.5 Ų | 144.5 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | | | trans | -141.4 | 82.3 | 168.7 | -66 | -60.7 | 170.7 | 0 | 0 | 108.4 | | |
| 539 | D | 38.9 | Very low | 43.4 | Very low | 162 Ų | 162 | 141.6 Ų | 141.6 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | | | trans | -138.7 | 74.4 | 171.6 | -168.4 | 31.1 | 0 | 0 | 0 | 107.7 | | |
| 540 | C | 39.3 | Very low | 41.6 | Very low | 109 Ų | 109 | 142.8 Ų | 142.8 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | | | trans | -103.3 | 147.7 | 171.9 | -81.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 541 | P | 50.4 | Low | 40.4 | Very low | 131 Ų | 131 | 138.4 Ų | 138.4 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | | | trans | -82.4 | 130.2 | -155.3 | 31.2 | -35.6 | 0 | 0 | 0 | 113.1 | | |
| 542 | D | 33.7 | Very low | 39.6 | Very low | 163 Ų | 163 | 138.3 Ų | 138.3 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | | | trans | -142.4 | 152.9 | 147.8 | -150.4 | -19.9 | 0 | 0 | 0 | 110.4 | | |
| 543 | G | 36.8 | Very low | 39.1 | Very low | 78 Ų | 78 | 140.4 Ų | 140.4 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | 178.2 | 46.9 | -165.7 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 544 | A | 32.1 | Very low | 38.4 | Very low | 82 Ų | 82 | 137.5 Ų | 137.5 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | | | trans | -140.5 | 139.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 545 | S | 35.5 | Very low | 38 | Very low | 111 Ų | 111 | 138 Ų | 138 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | | | trans | 55.6 | 90.9 | 151.5 | -54.3 | 0 | 0 | 0 | 0 | 120 | | |
| 546 | D | 37.1 | Very low | 37.6 | Very low | 164 Ų | 164 | 142.2 Ų | 142.2 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | | | trans | -67.6 | 121.3 | 139.9 | 167.7 | 22.3 | 0 | 0 | 0 | 109.7 | | |
| 547 | T | 36.3 | Very low | 37.5 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 68% | 0.681 | 78% | 0.776 | S | S | * | * | | | trans | -172.9 | 153.7 | 157.7 | -0.4 | 0 | 0 | 0 | 0 | 115 | | |
| 548 | I | 34.6 | Very low | 36.7 | Very low | 159 Ų | 159 | 139.4 Ų | 139.4 | 82% | 0.815 | 77% | 0.77 | S | S | * | * | | | trans | 87 | 136.3 | 161.4 | -66.3 | 162.1 | 0 | 0 | 0 | 117.6 | | |
| 549 | E | 36.1 | Very low | 36.1 | Very low | 175 Ų | 175 | 138.6 Ų | 138.6 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | -87.6 | 159.3 | -176.1 | -57.1 | 152.5 | 106.3 | 0 | 0 | 111.2 | | |
| 550 | E | 37.6 | Very low | 36 | Very low | 174 Ų | 174 | 137.4 Ų | 137.4 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | | | | -169.9 | 166.2 | 114 | -109.7 | -172.6 | 95.9 | 0 | 0 | 113.3 | | |
| 551 | E | 37.1 | Very low | 36.3 | Very low | 137 Ų | 137 | 138 Ų | 138 | 64% | 0.64 | 77% | 0.767 | S | S | * | * | | | trans | 3.2 | 157 | 149.3 | -62.9 | -137.8 | -4.1 | 0 | 0 | 122.6 | | |
| 552 | Q | 37.9 | Very low | 35.5 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 57% | 0.565 | 76% | 0.759 | S | S | * | * | | | cis | -173.1 | 149.1 | -18.4 | -108.7 | -169.6 | 37 | 0 | 0 | 106.8 | | |
| 553 | H | 31.8 | Very low | 35.9 | Very low | 179 Ų | 179 | 134 Ų | 134 | 83% | 0.829 | 75% | 0.753 | S | S | * | * | | | trans | 59.5 | 150.6 | 168.3 | -59.5 | 105.1 | 0 | 0 | 0 | 117.1 | | |
| 554 | G | 31.1 | Very low | 36.1 | Very low | 55 Ų | 55 | 135.6 Ų | 135.6 | 57% | 0.567 | 75% | 0.748 | S | S | * | * | | | cis | 143.7 | 96.9 | -6.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 555 | R | 35 | Very low | 36.7 | Very low | 249 Ų | 249 | 137.9 Ų | 137.9 | 94% | 0.94 | 76% | 0.757 | S | S | * | * | | | trans | 171.4 | 146.8 | 147 | -100.6 | 170.3 | -64.9 | -149.3 | 5.4 | 112.4 | | |
| 556 | D | 33.3 | Very low | 36.8 | Very low | 149 Ų | 149 | 139.2 Ų | 139.2 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | | | trans | -65.7 | 156.9 | 167.4 | -57.3 | -101.4 | 0 | 0 | 0 | 113.2 | | |
| 557 | I | 35.9 | Very low | 37 | Very low | 157 Ų | 157 | 138.8 Ų | 138.8 | 81% | 0.805 | 76% | 0.757 | S | S | * | * | | | | -177.4 | 120.9 | 112.4 | -92.2 | 159.1 | 0 | 0 | 0 | 112.5 | | |
| 558 | S | 32.1 | Very low | 37.7 | Very low | 92 Ų | 92 | 139.1 Ų | 139.1 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | | | trans | 59 | 155.5 | 146.1 | 86.2 | 0 | 0 | 0 | 0 | 125.8 | | |
| 559 | D | 34.8 | Very low | 38.1 | Very low | 152 Ų | 152 | 140.9 Ų | 140.9 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | | | trans | 76.9 | 94.2 | 150.5 | -51.2 | -38.7 | 0 | 0 | 0 | 122.4 | | |
| 560 | N | 38.6 | Very low | 38.8 | Very low | 138 Ų | 138 | 138.5 Ų | 138.5 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | | | trans | -94 | 146.4 | 164 | 171.5 | 48.8 | 0 | 0 | 0 | 109.9 | S562 | N560-S562 PolarHBondContact OD1-N 2.96Å; N560-S562 VanDerWaalsContact OD1-N 3.07Å |
| 561 | P | 44.3 | Very low | 39.6 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | | | | -144.9 | 134.8 | 106.3 | 34.6 | -18.9 | 0 | 0 | 0 | 115 | | |
| 562 | S | 33.1 | Very low | 40.4 | Very low | 97 Ų | 97 | 138.5 Ų | 138.5 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 147.9 | 171.5 | 89.2 | 0 | 0 | 0 | 0 | 112.9 | N560 | N560-S562 PolarHBondContact OD1-N 2.96Å; N560-S562 VanDerWaalsContact OD1-N 3.07Å |
| 563 | P | 42.1 | Very low | 41.3 | Very low | 113 Ų | 113 | 138.8 Ų | 138.8 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 168.7 | 163.8 | 30.6 | -33 | 0 | 0 | 0 | 112.3 | | |
| 564 | P | 42.7 | Very low | 42.2 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 163.7 | -149.4 | 35.7 | -38 | 0 | 0 | 0 | 117 | | |
| 565 | P | 44.2 | Very low | 43.2 | Very low | 131 Ų | 131 | 138.6 Ų | 138.6 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 142.6 | 173.7 | 28.2 | -36 | 0 | 0 | 0 | 112.7 | | |
| 566 | T | 37.2 | Very low | 44.4 | Very low | 139 Ų | 139 | 133.2 Ų | 133.2 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 128.3 | -177.2 | 48.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 567 | L | 41.5 | Very low | 45.3 | Very low | 155 Ų | 155 | 134.8 Ų | 134.8 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 138 | 179.5 | -149.8 | 79.4 | 0 | 0 | 0 | 111.6 | K569 | L567-K569 PolarHBondContact O-N 2.78Š|
| 568 | P | 50.5 | Low | 46.2 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 120.9 | 176.9 | 23.4 | -34.3 | 0 | 0 | 0 | 112.1 | | |
| 569 | K | 43.3 | Very low | 47.3 | Very low | 195 Ų | 195 | 134 Ų | 134 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 138.2 | -177.3 | -66.9 | 174.5 | -179.2 | 172.4 | 0 | 111.7 | L567 | L567-K569 PolarHBondContact O-N 2.78Š|
| 570 | P | 50.4 | Low | 48.3 | Very low | 125 Ų | 125 | 133.8 Ų | 133.8 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 141.4 | -179.7 | 26 | -34.3 | 0 | 0 | 0 | 111.7 | | |
| 571 | K | 55 | Low | 48.8 | Very low | 199 Ų | 199 | 133.2 Ų | 133.2 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 133.5 | 177.7 | -67.3 | 167.8 | -177.1 | 166.3 | 0 | 109.6 | | |
| 572 | P | 53.3 | Low | 49.1 | Very low | 112 Ų | 112 | 137 Ų | 137 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 146.4 | 176 | 27.4 | -34.5 | 0 | 0 | 0 | 110.7 | V574 | P572-V574 PolarHBondContact O-N 3.14Š|
| 573 | P | 58.1 | Low | 50 | Low | 127 Ų | 127 | 143.4 Ų | 143.4 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 131 | -174.5 | 24.5 | -33.8 | 0 | 0 | 0 | 111.8 | A575 | P573-A575 PolarHBondContact O-N 3.33Š|
| 574 | V | 50.8 | Low | 50.1 | Low | 137 Ų | 137 | 143.7 Ų | 143.7 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -69 | 119.4 | 176.3 | 177.4 | 0 | 0 | 0 | 0 | 109.1 | P572 V576 | P572-V574 PolarHBondContact O-N 3.14Å; V574-V576 PolarHBondContact O-N 3.38Å; V574-V576 VanDerWaalsContact O-N 3.11Å |
| 575 | A | 50.1 | Low | 50.1 | Low | 94 Ų | 94 | 146.6 Ų | 146.6 | 78% | 0.777 | 81% | 0.812 | S | S | * | * | | | trans | -60.9 | 114.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | P573 K577 | P573-A575 PolarHBondContact O-N 3.33Å; A575-K577 PolarHBondContact O-N 3.25Å |
| 576 | V | 61.3 | Low | 49.6 | Very low | 136 Ų | 136 | 147 Ų | 147 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 130 | 179.4 | -176.2 | 0 | 0 | 0 | 0 | 109.6 | V574 | V574-V576 PolarHBondContact O-N 3.38Å; V574-V576 VanDerWaalsContact O-N 3.11Å |
| 577 | K | 52.6 | Low | 49.9 | Very low | 181 Ų | 181 | 147.3 Ų | 147.3 | 79% | 0.787 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 122.8 | -176.9 | -174.7 | 177.1 | -178.2 | 178.2 | 0 | 110.3 | A575 | A575-K577 PolarHBondContact O-N 3.25Š|
| 578 | P | 55.2 | Low | 49.8 | Very low | 105 Ų | 105 | 146.2 Ų | 146.2 | 68% | 0.682 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 138.3 | -178.3 | 25 | -33.8 | 0 | 0 | 0 | 111 | | |
| 579 | P | 53.3 | Low | 49 | Very low | 127 Ų | 127 | 147.4 Ų | 147.4 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 137 | -177.8 | 27 | -34 | 0 | 0 | 0 | 111.3 | | |
| 580 | L | 56.3 | Low | 48.5 | Very low | 149 Ų | 149 | 146.8 Ų | 146.8 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 138.7 | 176.1 | -66.3 | 170.9 | 0 | 0 | 0 | 110.4 | K582 | L580-K582 PolarHBondContact O-N 2.56Š|
| 581 | P | 49.7 | Very low | 47.6 | Very low | 125 Ų | 125 | 145.5 Ų | 145.5 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | | | trans | -65.1 | 111.4 | 176.3 | 26.2 | -33.3 | 0 | 0 | 0 | 110.4 | | |
| 582 | K | 50.9 | Low | 47.1 | Very low | 203 Ų | 203 | 142 Ų | 142 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 139 | 172.2 | -64.8 | 179.4 | -179.5 | 177.6 | 0 | 109.1 | L580 | L580-K582 PolarHBondContact O-N 2.56Š|
| 583 | R | 51.1 | Low | 45.9 | Very low | 230 Ų | 230 | 141.7 Ų | 141.7 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 139.9 | 171.1 | -68.1 | -178.1 | 174.4 | 93.6 | -3.3 | 109.3 | | |
| 584 | P | 45.3 | Very low | 45.2 | Very low | 120 Ų | 120 | 142 Ų | 142 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 135 | 171.7 | 28.9 | -33.4 | 0 | 0 | 0 | 110.1 | | |
| 585 | M | 42 | Very low | 44.3 | Very low | 170 Ų | 170 | 140.5 Ų | 140.5 | 84% | 0.837 | 78% | 0.783 | S | S | * | * | | | trans | -115 | 121.4 | 167.3 | -67.7 | 177.4 | 66.7 | 0 | 0 | 107.8 | | |
| 586 | N | 34.6 | Very low | 43.4 | Very low | 139 Ų | 139 | 141.9 Ų | 141.9 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | | | trans | -113.8 | 119.1 | 164 | -60.8 | -64.7 | 0 | 0 | 0 | 104.8 | | |
| 587 | L | 42.8 | Very low | 41.9 | Very low | 147 Ų | 147 | 142.1 Ų | 142.1 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | | | | 61.3 | 132.5 | 70.3 | -58.1 | 176.5 | 0 | 0 | 0 | 110.4 | | |
| 588 | L | 38.4 | Very low | 40.6 | Very low | 131 Ų | 131 | 138 Ų | 138 | 69% | 0.686 | 78% | 0.783 | S | S | * | * | | | cis | -155.3 | 150.2 | 27.3 | -166.1 | 65.6 | 0 | 0 | 0 | 109.3 | | |
| 589 | L | 34.4 | Very low | 40.6 | Very low | 144 Ų | 144 | 138 Ų | 138 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | | | | 172 | 127.4 | 97.6 | -80.5 | 157.3 | 0 | 0 | 0 | 107 | | |
| 590 | K | 33.2 | Very low | 39.5 | Very low | 182 Ų | 182 | 139.7 Ų | 139.7 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | | | | 76 | 130.1 | 72.4 | -158.9 | 138.6 | -178.2 | 177.9 | 0 | 111.3 | | |
| 591 | S | 31.5 | Very low | 38 | Very low | 98 Ų | 98 | 136.1 Ų | 136.1 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | | | cis | -161.1 | -169.7 | 16.4 | -13.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 592 | P | 43.2 | Very low | 37.1 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | | | cis | -127.7 | -166 | -22.6 | 40 | -22.3 | 0 | 0 | 0 | 112.6 | | |
| 593 | S | 29.9 | Very low | 36.1 | Very low | 105 Ų | 105 | 137.1 Ų | 137.1 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | | | trans | -97.3 | 161.8 | 168.8 | -47.4 | 0 | 0 | 0 | 0 | 112 | | |
| 594 | P | 43.6 | Very low | 35 | Very low | 134 Ų | 134 | 131 Ų | 131 | 87% | 0.87 | 77% | 0.769 | S | S | * | * | | | | -140.1 | -166.5 | 89.9 | 38.8 | -23.3 | 0 | 0 | 0 | 114.4 | | |
| 595 | S | 30.6 | Very low | 35.5 | Very low | 106 Ų | 106 | 130.8 Ų | 130.8 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | | | trans | -122.3 | 169.6 | -159.7 | -55.7 | 0 | 0 | 0 | 0 | 115.9 | | |
| 596 | S | 32.6 | Very low | 35.8 | Very low | 123 Ų | 123 | 128.4 Ų | 128.4 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | | | trans | 74.8 | 148.7 | 175.8 | 78.3 | 0 | 0 | 0 | 0 | 115.7 | | |
| 597 | T | 28.6 | Very low | 35.6 | Very low | 140 Ų | 140 | 126.7 Ų | 126.7 | 86% | 0.859 | 77% | 0.77 | S | S | * | * | | | cis | -138.5 | 172.3 | 10.5 | -172.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 598 | S | 25.8 | Very low | 35 | Very low | 96 Ų | 96 | 125 Ų | 125 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | | | trans | -93 | -168.6 | 176.7 | -145.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 599 | P | 55.5 | Low | 35.2 | Very low | 105 Ų | 105 | 124 Ų | 124 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | | | cis | -121.2 | -161 | -31.4 | 17.7 | 9.3 | 0 | 0 | 0 | 110.1 | | |
| 600 | L | 28.9 | Very low | 35 | Very low | 162 Ų | 162 | 123.3 Ų | 123.3 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | | | | 171.3 | 176.7 | 74.3 | -155.9 | 72.8 | 0 | 0 | 0 | 110.6 | | |
| 601 | A | 26.6 | Very low | 35 | Very low | 74 Ų | 74 | 123 Ų | 123 | 61% | 0.612 | 78% | 0.775 | S | S | * | * | | | trans | -117.7 | -178.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 602 | I | 28.9 | Very low | 35.4 | Very low | 157 Ų | 157 | 128.9 Ų | 128.9 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | | | trans | 77.1 | 110.2 | 172 | -51.6 | 164.6 | 0 | 0 | 0 | 115.4 | | |
| 603 | E | 29.8 | Very low | 35.4 | Very low | 191 Ų | 191 | 128.3 Ų | 128.3 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | | | | -150.1 | 177.9 | 112.8 | -132.8 | -173.4 | 145.6 | 0 | 0 | 110.7 | | |
| 604 | S | 30 | Very low | 36 | Very low | 101 Ų | 101 | 129.8 Ų | 129.8 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | | | trans | -113.7 | -135.4 | -152.4 | -61.1 | 0 | 0 | 0 | 0 | 116 | | |
| 605 | P | 54.3 | Low | 36.5 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | | | | -127.1 | -147.1 | -112.5 | 41 | -21.4 | 0 | 0 | 0 | 112.1 | | |
| 606 | P | 49.5 | Very low | 36.8 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | | | | -109.4 | 173.4 | -59.8 | 35.4 | -22.8 | 0 | 0 | 0 | 111.4 | | |
| 607 | A | 28.8 | Very low | 37.1 | Very low | 102 Ų | 102 | 128.4 Ų | 128.4 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | | | trans | 178.5 | 152.4 | 142.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 608 | S | 30.6 | Very low | 37.3 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | | | trans | -107.6 | 164.8 | 146 | 87 | 0 | 0 | 0 | 0 | 106.8 | | |
| 609 | P | 43.3 | Very low | 38 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | | | cis | -141.2 | -177.2 | 36.4 | 43.1 | -24.2 | 0 | 0 | 0 | 116.4 | | |
| 610 | V | 30.2 | Very low | 37.1 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 79% | 0.788 | 77% | 0.771 | S | S | * | * | | | trans | 6.2 | 119.8 | 141.2 | -178.7 | 0 | 0 | 0 | 0 | 117 | | |
| 611 | E | 32.3 | Very low | 38 | Very low | 176 Ų | 176 | 137 Ų | 137 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | | | | -151.7 | 132.4 | 114.3 | -123.7 | -178.9 | -171.4 | 0 | 0 | 114.1 | | |
| 612 | R | 40.5 | Very low | 38.5 | Very low | 221 Ų | 221 | 138.5 Ų | 138.5 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | | | trans | -111.4 | 132.4 | 154 | -75.5 | 178.4 | -78.6 | 93.9 | -0.3 | 105.1 | | |
| 613 | P | 42.9 | Very low | 38.7 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | | -138.1 | 146.9 | 115.2 | 35.1 | -24.4 | 0 | 0 | 0 | 114.8 | | |
| 614 | V | 43.3 | Very low | 39 | Very low | 137 Ų | 137 | 136.9 Ų | 136.9 | 83% | 0.83 | 76% | 0.762 | S | S | * | * | | | trans | -109.7 | 146.9 | 158.6 | 175.9 | 0 | 0 | 0 | 0 | 105.9 | | |
| 615 | P | 53.7 | Low | 39.7 | Very low | 114 Ų | 114 | 142 Ų | 142 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | | | cis | -117.3 | 179.1 | -17.2 | 39 | -26.7 | 0 | 0 | 0 | 111.9 | | |
| 616 | L | 36.1 | Very low | 38.7 | Very low | 163 Ų | 163 | 141 Ų | 141 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | | | trans | -152.8 | 135.4 | 146.4 | -115.6 | 164.3 | 0 | 0 | 0 | 111.2 | | |
| 617 | G | 39.5 | Very low | 37.7 | Very low | 56 Ų | 56 | 145 Ų | 145 | 58% | 0.577 | 77% | 0.771 | S | S | * | * | | | trans | -99 | -155.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 618 | N | 32.8 | Very low | 38.6 | Very low | 135 Ų | 135 | 146 Ų | 146 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | | | trans | 75.2 | 150.3 | -166 | -43.9 | -54.1 | 0 | 0 | 0 | 110.5 | | |
| 619 | I | 41.4 | Very low | 38.4 | Very low | 164 Ų | 164 | 150.5 Ų | 150.5 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | | | cis | -129.9 | 146.2 | 43.4 | -67.8 | 145.4 | 0 | 0 | 0 | 113 | | |
| 620 | Y | 35.3 | Very low | 37.7 | Very low | 183 Ų | 183 | 154.8 Ų | 154.8 | 72% | 0.718 | 78% | 0.781 | S | S | * | * | | | trans | -65.9 | 143 | 172.5 | -88.8 | -132 | 0 | 0 | 0 | 113.3 | V622 | Y620-V622 HydrophobicContact CD1-CG2 3.79Š|
| 621 | K | 48.8 | Very low | 38.3 | Very low | 203 Ų | 203 | 153.8 Ų | 153.8 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | | | trans | -171.3 | 94.9 | 134.1 | -99.1 | 145.6 | -171.8 | 178.1 | 0 | 109 | | |
| 622 | V | 36.5 | Very low | 39.2 | Very low | 104 Ų | 104 | 150.3 Ų | 150.3 | 63% | 0.63 | 77% | 0.77 | S | S | * | * | | | | 81.5 | 129.3 | 66.3 | 174.6 | 0 | 0 | 0 | 0 | 113.5 | Y620 | Y620-V622 HydrophobicContact CD1-CG2 3.79Š|
| 623 | M | 34 | Very low | 39.4 | Very low | 151 Ų | 151 | 145.5 Ų | 145.5 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | | | trans | 88.8 | 137.9 | 164 | -108.6 | -168.5 | -79.9 | 0 | 0 | 121.4 | | |
| 624 | K | 34.9 | Very low | 38.9 | Very low | 164 Ų | 164 | 147.8 Ų | 147.8 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | | | trans | 68.9 | 84.4 | 150.9 | -72.5 | 171.9 | 179.6 | 171.1 | 0 | 119.2 | P626 | K624-P626 HydrophobicContact CB-CG 4.13Å; K624-P626 HydrophobicContact CG-CG 4.31Å; K624-P626 WeakPolarHBondContact O-CD 3.45Å |
| 625 | K | 44.8 | Very low | 38.3 | Very low | 207 Ų | 207 | 146.4 Ų | 146.4 | 90% | 0.9 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | | -76.6 | 118.7 | 113.5 | -99.5 | -81.6 | -173.2 | 179.7 | 0 | 109 | | |
| 626 | P | 33.7 | Very low | 37.7 | Very low | 98 Ų | 98 | 146.3 Ų | 146.3 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 145.7 | 155.3 | -5.2 | 25.4 | 0 | 0 | 0 | 110.1 | K624 | K624-P626 HydrophobicContact CB-CG 4.13Å; K624-P626 HydrophobicContact CG-CG 4.31Å; K624-P626 WeakPolarHBondContact O-CD 3.45Å |
| 627 | K | 28.8 | Very low | 37.4 | Very low | 203 Ų | 203 | 144.5 Ų | 144.5 | 88% | 0.883 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 160.7 | 155.2 | -99.6 | -179.4 | 175.5 | -179.8 | 0 | 108.9 | | |
| 628 | P | 46.9 | Very low | 36.9 | Very low | 123 Ų | 123 | 147 Ų | 147 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -77 | 153.7 | -163.4 | 31.2 | -37.6 | 0 | 0 | 0 | 114.3 | | |
| 629 | K | 25.8 | Very low | 37.3 | Very low | 208 Ų | 208 | 145.7 Ų | 145.7 | 90% | 0.904 | 76% | 0.763 | S | S | * | * | | | trans | -154.8 | 133.4 | 161 | -71.4 | -162.8 | 176.2 | -171.9 | 0 | 111.6 | | |
| 630 | K | 30.1 | Very low | 36.7 | Very low | 198 Ų | 198 | 142.5 Ų | 142.5 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | | | | 150.6 | 93.1 | 118.6 | -167.9 | 171.7 | -176.5 | -176.7 | 0 | 114.6 | | |
| 631 | P | 41.3 | Very low | 36.4 | Very low | 109 Ų | 109 | 138.1 Ų | 138.1 | 71% | 0.708 | 76% | 0.763 | S | S | * | * | | | trans | -82.1 | -169.2 | 145.5 | 39.7 | -35.4 | 0 | 0 | 0 | 109.3 | | |
| 632 | P | 51.8 | Low | 36 | Very low | 104 Ų | 104 | 134 Ų | 134 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | | | cis | -120.6 | -155.5 | -0.3 | 48.3 | -32.5 | 0 | 0 | 0 | 110.2 | | |
| 633 | P | 45.3 | Very low | 36.4 | Very low | 119 Ų | 119 | 134 Ų | 134 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | | | cis | -70.9 | 178.4 | 11.9 | 33.4 | -39.9 | 0 | 0 | 0 | 113.6 | | |
| 634 | Q | 31.8 | Very low | 35.9 | Very low | 160 Ų | 160 | 133.1 Ų | 133.1 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | | | cis | -133 | -126 | 0.5 | -151.5 | -134.4 | 49.9 | 0 | 0 | 112.7 | | |
| 635 | T | 30.6 | Very low | 35.7 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | | | trans | -153.7 | 174.5 | -165.1 | 43.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 636 | P | 41.1 | Very low | 35.1 | Very low | 112 Ų | 112 | 128.7 Ų | 128.7 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | | | cis | -128.7 | -176.9 | -1.1 | 42.7 | -27.4 | 0 | 0 | 0 | 115.7 | | |
| 637 | T | 29.9 | Very low | 34.9 | Very low | 125 Ų | 125 | 129.6 Ų | 129.6 | 77% | 0.767 | 76% | 0.76 | S | S | * | * | | | trans | 69.7 | 80 | 152.9 | -45.8 | 0 | 0 | 0 | 0 | 120.7 | | |
| 638 | S | 28.2 | Very low | 35.1 | Very low | 107 Ų | 107 | 124.7 Ų | 124.7 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | | | | 37.2 | 153.6 | 101 | -135.5 | 0 | 0 | 0 | 0 | 121.2 | | |
| 639 | P | 42.2 | Very low | 34.4 | Very low | 108 Ų | 108 | 124.5 Ų | 124.5 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | | | cis | -140.7 | -173.9 | -49.2 | 41.1 | -24.4 | 0 | 0 | 0 | 113.7 | | |
| 640 | A | 28.2 | Very low | 34.7 | Very low | 98 Ų | 98 | 121 Ų | 121 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | | | trans | 42.6 | 146.8 | 139.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 641 | A | 28.6 | Very low | 35.8 | Very low | 91 Ų | 91 | 117 Ų | 117 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | | | cis | -166.2 | -178.2 | -1.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 642 | P | 41 | Very low | 36 | Very low | 117 Ų | 117 | 116.6 Ų | 116.6 | 76% | 0.76 | 75% | 0.746 | S | S | * | * | | | trans | -94.5 | -174.7 | -171.6 | 42.9 | -37.7 | 0 | 0 | 0 | 112.5 | | |
| 643 | P | 44.8 | Very low | 35 | Very low | 103 Ų | 103 | 117.8 Ų | 117.8 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | | | cis | -131.3 | -153.1 | 1.6 | 27.6 | -1.1 | 0 | 0 | 0 | 113.3 | | |
| 644 | D | 24.6 | Very low | 34.2 | Very low | 133 Ų | 133 | 116.5 Ų | 116.5 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | | | trans | 92.4 | 129.2 | 145.4 | -67.7 | -23.6 | 0 | 0 | 0 | 123.5 | | |
| 645 | L | 30.3 | Very low | 34.3 | Very low | 137 Ų | 137 | 119.2 Ų | 119.2 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | | | trans | 63.2 | 116.8 | 138.9 | -62.4 | 170.3 | 0 | 0 | 0 | 123.2 | | |
| 646 | N | 31.9 | Very low | 34.3 | Very low | 141 Ų | 141 | 120.9 Ų | 120.9 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | | | | 77.5 | 166.1 | 127.4 | -71.5 | -10.3 | 0 | 0 | 0 | 122.4 | | |
| 647 | S | 30.4 | Very low | 34.1 | Very low | 117 Ų | 117 | 118.6 Ų | 118.6 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | | | trans | 81.1 | 96.1 | 156.5 | -64.1 | 0 | 0 | 0 | 0 | 119.1 | | |
| 648 | A | 32.5 | Very low | 34.9 | Very low | 100 Ų | 100 | 116.1 Ų | 116.1 | 83% | 0.826 | 73% | 0.726 | S | S | * | * | | | trans | -44.2 | 152.9 | 150.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 649 | S | 31.1 | Very low | 34.9 | Very low | 118 Ų | 118 | 119.4 Ų | 119.4 | 83% | 0.825 | 73% | 0.727 | S | S | * | * | | | trans | -153.9 | 175.1 | 136.1 | 55.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 650 | V | 33.7 | Very low | 34.6 | Very low | 135 Ų | 135 | 120.4 Ų | 120.4 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | | | trans | -116.1 | -165.9 | -167.7 | -136 | 0 | 0 | 0 | 0 | 110.8 | | |
| 651 | P | 52.5 | Low | 35.3 | Very low | 113 Ų | 113 | 120.3 Ų | 120.3 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | | | trans | -101.6 | -153.7 | -144.4 | 42 | -22.4 | 0 | 0 | 0 | 111.4 | | |
| 652 | P | 45.8 | Very low | 35.3 | Very low | 102 Ų | 102 | 123.9 Ų | 123.9 | 66% | 0.662 | 72% | 0.718 | S | S | * | * | | | | -155.2 | -178.4 | 63.4 | 39.8 | -15.8 | 0 | 0 | 0 | 118.1 | | |
| 653 | T | 30.1 | Very low | 34.6 | Very low | 128 Ų | 128 | 123 Ų | 123 | 79% | 0.785 | 72% | 0.715 | S | S | * | * | | | trans | 50.1 | 131.4 | 147.6 | 50.4 | 0 | 0 | 0 | 0 | 123.1 | | |
| 654 | A | 29.8 | Very low | 33.8 | Very low | 93 Ų | 93 | 126 Ų | 126 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | | | | -178.5 | 162.7 | 103.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 655 | Y | 32.3 | Very low | 34 | Very low | 216 Ų | 216 | 124.6 Ų | 124.6 | 85% | 0.847 | 73% | 0.726 | S | S | * | * | | | trans | -53.1 | 177.1 | 176.8 | -61.7 | -97 | 0 | 0 | 0 | 115.8 | | |
| 656 | D | 30.3 | Very low | 33.8 | Very low | 144 Ų | 144 | 125.9 Ų | 125.9 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | | | cis | -160.7 | 179.7 | 22 | -144.4 | -20.5 | 0 | 0 | 0 | 114.2 | | |
| 657 | H | 38.1 | Very low | 33.4 | Very low | 65 Ų | 65 | 127.1 Ų | 127.1 | 30% | 0.301 | 73% | 0.729 | S | S | . | * | | | trans | -114.6 | -166.5 | 178.4 | -106.5 | 13.5 | 0 | 0 | 0 | 111.7 | D186 H187 H188 | D186-H657 VanDerWaalsContact CA-NE2 3.34Å; D186-H657 WeakPolarHBondContact CA-NE2 3.15Å; D186-H657 WeakPolarHBondContact CB-CE1 3.15Å; D186-H657 WeakPolarHBondContact CB-NE2 3.27Å; D186-H657 PolarHBondContact O-CE1 1.84Å; D186-H657 PolarHBondContact O-NE2 3.21Å; D186-H657 VanDerWaalsContact O-NE2 3.13Å; D186-H657 IonicContact OD1-CD2 3.76Å; D186-H657 IonicContact OD1-CE1 2.8Å; D186-H657 IonicContact OD1-NE2 2.83Å; D186-H657 PolarHBondContact OD1-NE2 3.21Å; D186-H657 IonicContact OD2-CD2 3.96Å; D186-H657 IonicContact OD2-NE2 3.61Å; D186-H657 PolarHBondContact OD2-NE2 2.89Å; H187-H657 WeakPolarHBondContact CA-NE2 3.26Å; H187-H657 AromaticContact CE1-CE1 3.39Å; H187-H657 PolarHBondContact CE1-CE1 3.45Å; H187-H657 AromaticContact CE1-ND1 3.35Å; H187-H657 PolarHBondContact CE1-ND1 3.38Å; H187-H657 VanDerWaalsContact CE1-ND1 3.35Å; H187-H657 PolarHBondContact N-NE2 3.26Å; H187-H657 AromaticContact ND1-CE1 2.93Å; H187-H657 PolarHBondContact ND1-CE1 3.07Å; H187-H657 AromaticContact ND1-ND1 3.67Å; H187-H657 AromaticContact ND1-NE2 3.76Å; H188-H657 AromaticContact CE1-CD2 3.35Å; H188-H657 PolarHBondContact CE1-CD2 2.75Å; H188-H657 AromaticContact NE2-CD2 3.72Å |
| 658 | P | 45.9 | Very low | 33.1 | Very low | 73 Ų | 73 | 124.8 Ų | 124.8 | 47% | 0.474 | 72% | 0.724 | S | S | . | * | | | cis | -139.7 | -169.8 | 6.5 | 34 | -9.6 | 0 | 0 | 0 | 116.3 | | |
| 659 | F | 29.5 | Very low | 33.7 | Very low | 175 Ų | 175 | 125.5 Ų | 125.5 | 77% | 0.768 | 72% | 0.72 | S | S | * | * | | | trans | 141.5 | 138.7 | 133.7 | -75.4 | -63.1 | 0 | 0 | 0 | 116.6 | | |
| 660 | L | 35.1 | Very low | 33.4 | Very low | 129 Ų | 129 | 128 Ų | 128 | 68% | 0.675 | 72% | 0.719 | S | S | * | * | | | trans | -111.7 | 179.2 | 173.4 | -80.2 | 173.7 | 0 | 0 | 0 | 108.4 | H188 | H188-L660 HydrophobicContact CB-CD1 4.32Š|
| 661 | P | 42.3 | Very low | 33.4 | Very low | 97 Ų | 97 | 128 Ų | 128 | 63% | 0.63 | 71% | 0.714 | S | S | * | * | | | cis | -160.4 | -172.6 | 37.8 | 41.2 | -15 | 0 | 0 | 0 | 121.2 | | |
| 662 | H | 29.1 | Very low | 32.3 | Very low | 165 Ų | 165 | 130.7 Ų | 130.7 | 76% | 0.764 | 72% | 0.716 | S | S | * | * | | | trans | 86.5 | 109.1 | 148.3 | -65.9 | -34.1 | 0 | 0 | 0 | 124.5 | | |
| 663 | S | 27 | Very low | 31.4 | Very low | 100 Ų | 100 | 132 Ų | 132 | 70% | 0.699 | 72% | 0.718 | S | S | * | * | | | | 87.1 | 114.7 | 111.2 | -58.7 | 0 | 0 | 0 | 0 | 124.7 | | |
| 664 | N | 27.1 | Very low | 31.5 | Very low | 166 Ų | 166 | 133.6 Ų | 133.6 | 89% | 0.888 | 71% | 0.714 | S | S | * | * | | | trans | 68.1 | 178.8 | 130.1 | -83.8 | 19.5 | 0 | 0 | 0 | 122.9 | | |
| 665 | S | 29.6 | Very low | 31.7 | Very low | 102 Ų | 102 | 134.6 Ų | 134.6 | 71% | 0.713 | 72% | 0.715 | S | S | * | * | | | trans | -129.8 | 157.7 | -145.2 | -41 | 0 | 0 | 0 | 0 | 114.7 | | |
| 666 | Q | 26 | Very low | 31.8 | Very low | 164 Ų | 164 | 133.7 Ų | 133.7 | 77% | 0.766 | 72% | 0.716 | S | S | * | * | | | trans | 81.8 | 140.1 | 143.7 | -145.4 | 176.4 | -56.2 | 0 | 0 | 120.6 | | |
| 667 | E | 23.5 | Very low | 31.8 | Very low | 167 Ų | 167 | 133.1 Ų | 133.1 | 78% | 0.78 | 72% | 0.718 | S | S | * | * | | | trans | 95.9 | 120.1 | 141.4 | -141.3 | 140 | -85.6 | 0 | 0 | 123.4 | | |
| 668 | G | 24.2 | Very low | 31.9 | Very low | 68 Ų | 68 | 138.1 Ų | 138.1 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | | | trans | 84.5 | 176.9 | 141.7 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 669 | P | 44.4 | Very low | 31.6 | Very low | 116 Ų | 116 | 140.6 Ų | 140.6 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | | | cis | -142 | 176.3 | -41 | 40.1 | -25.1 | 0 | 0 | 0 | 114.4 | | |
| 670 | E | 25.1 | Very low | 31.8 | Very low | 170 Ų | 170 | 138 Ų | 138 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | | | trans | 56.2 | 142.1 | 154 | -99 | -175.1 | 116.4 | 0 | 0 | 120.6 | | |
| 671 | L | 33.8 | Very low | 31.8 | Very low | 136 Ų | 136 | 142.8 Ų | 142.8 | 71% | 0.712 | 77% | 0.774 | S | S | * | * | | | cis | -156.2 | -174.1 | 40.1 | -119.5 | 173 | 0 | 0 | 0 | 112.8 | | |
| 672 | Q | 28.9 | Very low | 31.3 | Very low | 168 Ų | 168 | 145.2 Ų | 145.2 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | | | trans | -78.1 | 150.4 | -165.5 | -55.9 | 160.5 | 35.4 | 0 | 0 | 116.9 | | |
| 673 | D | 26.7 | Very low | 31.7 | Very low | 130 Ų | 130 | 143 Ų | 143 | 70% | 0.695 | 78% | 0.777 | S | S | * | * | | | | -158.3 | 177.7 | 121.4 | -145 | 0.6 | 0 | 0 | 0 | 116.1 | | |
| 674 | K | 32.4 | Very low | 31.9 | Very low | 162 Ų | 162 | 145.5 Ų | 145.5 | 70% | 0.704 | 78% | 0.781 | S | S | * | * | | | trans | -103.4 | 126.8 | -153.4 | 60.5 | -150.4 | 163.1 | -91.9 | 0 | 118.7 | | |
| 675 | S | 34.6 | Very low | 32 | Very low | 114 Ų | 114 | 142.8 Ų | 142.8 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | | | trans | 168.8 | 121.6 | 140.2 | 39.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 676 | K | 34.3 | Very low | 32.1 | Very low | 197 Ų | 197 | 142.7 Ų | 142.7 | 86% | 0.857 | 77% | 0.773 | S | S | * | * | | | | 81.8 | 108.2 | 65.5 | -75 | -175.8 | 179.1 | 179.8 | 0 | 115.7 | | |
| 677 | T | 31.3 | Very low | 32.6 | Very low | 132 Ų | 132 | 142.9 Ų | 142.9 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | | | trans | 83.9 | 119.6 | 148.7 | -51.5 | 0 | 0 | 0 | 0 | 119.9 | | |
| 678 | L | 38.4 | Very low | 33.5 | Very low | 170 Ų | 170 | 139.3 Ų | 139.3 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | | | trans | -78.1 | 144 | 158.4 | -66 | 171.7 | 0 | 0 | 0 | 110.1 | | |
| 679 | P | 40.5 | Very low | 34.4 | Very low | 124 Ų | 124 | 142.5 Ų | 142.5 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | | | | -148.1 | 179 | 102.2 | 39.3 | -23.5 | 0 | 0 | 0 | 114.9 | | |
| 680 | S | 34.3 | Very low | 34.4 | Very low | 121 Ų | 121 | 144.8 Ų | 144.8 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | | | trans | -83.3 | 129.5 | -177.3 | -177.7 | 0 | 0 | 0 | 0 | 114.6 | | |
| 681 | R | 34.4 | Very low | 35.2 | Very low | 230 Ų | 230 | 140.5 Ų | 140.5 | 87% | 0.868 | 77% | 0.768 | S | S | * | * | | | trans | -171.4 | 141.6 | 158.9 | -106.2 | 172.3 | 77.2 | 166.2 | 2.5 | 108 | | |
| 682 | M | 31.7 | Very low | 35.3 | Very low | 148 Ų | 148 | 138.6 Ų | 138.6 | 73% | 0.729 | 76% | 0.759 | S | S | * | * | | | cis | 76.2 | 134.2 | 19.6 | -151.1 | 173.8 | 74.9 | 0 | 0 | 114.8 | | |
| 683 | T | 36.4 | Very low | 35.6 | Very low | 118 Ų | 118 | 138.2 Ų | 138.2 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | | | cis | -103.1 | -118.9 | 7.6 | -34.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 684 | I | 32.3 | Very low | 36.3 | Very low | 153 Ų | 153 | 139.2 Ų | 139.2 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | | | cis | -157.6 | 158.8 | 3.2 | -21.7 | 175.6 | 0 | 0 | 0 | 110.4 | | |
| 685 | S | 29.5 | Very low | 36.8 | Very low | 108 Ų | 108 | 141 Ų | 141 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | | | trans | 70.7 | 136.8 | 165.7 | -101.9 | 0 | 0 | 0 | 0 | 119.4 | | |
| 686 | C | 32 | Very low | 37.3 | Very low | 101 Ų | 101 | 140.5 Ų | 140.5 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | | | cis | -160.6 | 151.8 | -9.4 | -133.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 687 | L | 36.3 | Very low | 37.8 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | | | trans | 55 | 138.8 | 154.3 | -69.2 | 162.8 | 0 | 0 | 0 | 119.6 | | |
| 688 | A | 41.6 | Very low | 38.3 | Very low | 92 Ų | 92 | 140.5 Ų | 140.5 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | | | cis | -146.4 | -157.1 | 8.9 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 689 | E | 42.8 | Very low | 38.9 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | | | trans | -123 | 174.3 | 173.1 | -121.6 | -151.8 | 152.6 | 0 | 0 | 109.9 | S691 | E689-S691 VanDerWaalsContact OE1-CA 3.27Å; E689-S691 WeakPolarHBondContact OE1-CA 3.43Å; E689-S691 WeakPolarHBondContact OE1-CB 3.45Å; E689-S691 PolarHBondContact OE1-N 3.07Å; E689-S691 VanDerWaalsContact OE2-CB 3.28Å; E689-S691 WeakPolarHBondContact OE2-CB 3.36Å |
| 690 | L | 45.9 | Very low | 38.8 | Very low | 163 Ų | 163 | 136.8 Ų | 136.8 | 85% | 0.853 | 74% | 0.739 | S | S | * | * | | | | -136.1 | 123.9 | 59.5 | -45 | 174.6 | 0 | 0 | 0 | 110.5 | | |
| 691 | S | 41.6 | Very low | 39.8 | Very low | 81 Ų | 81 | 137.1 Ų | 137.1 | 57% | 0.566 | 74% | 0.738 | S | S | * | * | | | | 75.7 | 134.9 | 70.7 | 103 | 0 | 0 | 0 | 0 | 114.4 | E689 | E689-S691 VanDerWaalsContact OE1-CA 3.27Å; E689-S691 WeakPolarHBondContact OE1-CA 3.43Å; E689-S691 WeakPolarHBondContact OE1-CB 3.45Å; E689-S691 PolarHBondContact OE1-N 3.07Å; E689-S691 VanDerWaalsContact OE2-CB 3.28Å; E689-S691 WeakPolarHBondContact OE2-CB 3.36Å |
| 692 | D | 34.3 | Very low | 40.2 | Very low | 96 Ų | 96 | 132.8 Ų | 132.8 | 51% | 0.513 | 74% | 0.737 | S | S | . | * | | | cis | -165.7 | -179 | -17.4 | -169 | -8.3 | 0 | 0 | 0 | 109.1 | K694 | D692-K694 IonicContact OD1-NZ 3.71Å; D692-K694 PolarHBondContact OD1-NZ 3.07Å; D692-K694 IonicContact OD2-NZ 2.69Å |
| 693 | K | 36.9 | Very low | 40.6 | Very low | 159 Ų | 159 | 130.9 Ų | 130.9 | 69% | 0.691 | 74% | 0.736 | S | S | * | * | | | trans | 97 | 69.5 | 153.9 | -49.3 | -59.8 | 162.7 | 80.9 | 0 | 121.8 | | |
| 694 | K | 39.6 | Very low | 40.7 | Very low | 151 Ų | 151 | 134.4 Ų | 134.4 | 66% | 0.657 | 74% | 0.741 | S | S | * | * | | | | 64.4 | 137.4 | 123.9 | -37.9 | -43.8 | -174 | -152 | 0 | 123.3 | D692 | D692-K694 IonicContact OD1-NZ 3.71Å; D692-K694 PolarHBondContact OD1-NZ 3.07Å; D692-K694 IonicContact OD2-NZ 2.69Å |
| 695 | K | 43.7 | Very low | 41.2 | Very low | 199 Ų | 199 | 136.4 Ų | 136.4 | 87% | 0.865 | 74% | 0.744 | S | S | * | * | | | trans | 74.8 | 157.7 | 152.1 | -52.1 | -151.2 | -175.8 | -178.8 | 0 | 118.6 | | |
| 696 | P | 44.8 | Very low | 42.1 | Very low | 104 Ų | 104 | 137.4 Ų | 137.4 | 68% | 0.675 | 75% | 0.748 | S | S | * | * | | | cis | -127.3 | 171.4 | -41.7 | 36.6 | -22.6 | 0 | 0 | 0 | 113.2 | | |
| 697 | K | 45.5 | Very low | 42.2 | Very low | 212 Ų | 212 | 139.8 Ų | 139.8 | 92% | 0.922 | 75% | 0.754 | S | S | * | * | | | trans | -72 | 123.6 | 170.6 | -163.9 | 94.6 | 169.4 | -171.2 | 0 | 109.6 | | |
| 698 | V | 41.5 | Very low | 42.3 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 71% | 0.709 | 74% | 0.743 | S | S | * | * | | | trans | -110.8 | 132.6 | 179.8 | -179.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 699 | P | 52 | Low | 42.4 | Very low | 101 Ų | 101 | 140.9 Ų | 140.9 | 66% | 0.656 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 161.4 | 177 | 31.6 | -35.7 | 0 | 0 | 0 | 112.7 | | |
| 700 | P | 36.5 | Very low | 42 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 138.5 | -177.9 | 27.2 | -35 | 0 | 0 | 0 | 112.6 | | |
| 701 | P | 55.8 | Low | 41.5 | Very low | 127 Ų | 127 | 141.2 Ų | 141.2 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 129.5 | -174.7 | 29.7 | -34.7 | 0 | 0 | 0 | 113.1 | | |
| 702 | V | 42.9 | Very low | 41.2 | Very low | 139 Ų | 139 | 143.3 Ų | 143.3 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 127.1 | 174 | -176.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 703 | P | 40.3 | Very low | 41 | Very low | 108 Ų | 108 | 145.1 Ų | 145.1 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 119.4 | -176.9 | 33.3 | -31.9 | 0 | 0 | 0 | 113.5 | | |
| 704 | K | 39.1 | Very low | 41.2 | Very low | 192 Ų | 192 | 142.7 Ų | 142.7 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | | | trans | -171.6 | 118.3 | 145.5 | -101.4 | 143.6 | -169.7 | 176.4 | 0 | 114.2 | | |
| 705 | K | 43.5 | Very low | 40.7 | Very low | 195 Ų | 195 | 142.8 Ų | 142.8 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | | | trans | 47.7 | 112.9 | 143.3 | -55.9 | -176.7 | 178.7 | -172.6 | 0 | 120.3 | | |
| 706 | P | 47 | Very low | 40.2 | Very low | 129 Ų | 129 | 141.1 Ų | 141.1 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | | | trans | -81.4 | 167.1 | 143.9 | 35.5 | -32.4 | 0 | 0 | 0 | 111.4 | | |
| 707 | N | 34.8 | Very low | 40 | Very low | 151 Ų | 151 | 141.2 Ų | 141.2 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | | | trans | -127.1 | 157.9 | 178.6 | -140.2 | -3.8 | 0 | 0 | 0 | 109 | | |
| 708 | V | 38.2 | Very low | 39.2 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 65% | 0.648 | 78% | 0.779 | S | S | * | * | | | trans | 38.2 | 118.5 | 161.1 | -174.4 | 0 | 0 | 0 | 0 | 118.9 | L710 | V708-L710 HydrophobicContact CG1-CD1 3.87Š|
| 709 | L | 44.5 | Very low | 38.6 | Very low | 175 Ų | 175 | 136.6 Ų | 136.6 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | | | trans | -118.2 | 141.1 | 148.7 | -71 | 176.8 | 0 | 0 | 0 | 109.2 | | |
| 710 | L | 34.2 | Very low | 37.6 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 164.6 | 176.8 | -120.6 | 71.4 | 0 | 0 | 0 | 111 | V708 | V708-L710 HydrophobicContact CG1-CD1 3.87Š|
| 711 | L | 35.4 | Very low | 37.4 | Very low | 156 Ų | 156 | 137.7 Ų | 137.7 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 151.4 | -177.3 | -71.1 | 71.6 | 0 | 0 | 0 | 112.7 | | |
| 712 | P | 35.3 | Very low | 36.2 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 141.7 | 151.4 | 6.5 | 13.6 | 0 | 0 | 0 | 111.7 | | |
| 713 | T | 29.1 | Very low | 35.9 | Very low | 134 Ų | 134 | 136.6 Ų | 136.6 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 147.3 | 169.4 | -39.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 714 | P | 40.9 | Very low | 35.5 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 148 | -171.5 | 31 | -36.6 | 0 | 0 | 0 | 115.7 | | |
| 715 | L | 29.8 | Very low | 35.4 | Very low | 152 Ų | 152 | 138.3 Ų | 138.3 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | | | trans | 27.3 | 140.7 | 130.7 | -85.1 | 90.5 | 0 | 0 | 0 | 120 | | |
| 716 | H | 32.6 | Very low | 34.8 | Very low | 165 Ų | 165 | 137.6 Ų | 137.6 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | | | cis | -155.6 | -142.9 | 4.6 | -150.8 | -144.5 | 0 | 0 | 0 | 113 | | |
| 717 | P | 41.8 | Very low | 33.8 | Very low | 106 Ų | 106 | 139 Ų | 139 | 69% | 0.688 | 78% | 0.784 | S | S | * | * | | | trans | -113.2 | -178.4 | -135.3 | 44.7 | -29.5 | 0 | 0 | 0 | 116 | | |
| 718 | S | 27.3 | Very low | 34.6 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | | | trans | -150.1 | 164.4 | 155.3 | -159 | 0 | 0 | 0 | 0 | 114.5 | | |
| 719 | T | 29.6 | Very low | 34 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 72% | 0.718 | 78% | 0.783 | S | S | * | * | | | trans | -70.6 | 152.6 | -171.4 | 46.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 720 | N | 30.3 | Very low | 33.3 | Very low | 163 Ų | 163 | 135.1 Ų | 135.1 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | | | | 70.2 | 130.3 | 59.6 | -89.6 | -0.5 | 0 | 0 | 0 | 115.4 | | |
| 721 | G | 32.1 | Very low | 32.9 | Very low | 78 Ų | 78 | 134.9 Ų | 134.9 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | trans | 87.7 | 120.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 722 | S | 31.5 | Very low | 32.5 | Very low | 115 Ų | 115 | 132.6 Ų | 132.6 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | cis | 97.3 | 104.7 | 22.3 | -155.1 | 0 | 0 | 0 | 0 | 115.6 | | |
| 723 | T | 36.7 | Very low | 33.1 | Very low | 127 Ų | 127 | 131.6 Ų | 131.6 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | | | trans | 70.8 | 94.1 | 150.4 | -34 | 0 | 0 | 0 | 0 | 121 | | |
| 724 | D | 32.3 | Very low | 33 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | | | trans | 62.2 | 132.7 | 135.3 | -152 | 33.5 | 0 | 0 | 0 | 123.8 | | |
| 725 | R | 37.4 | Very low | 32.3 | Very low | 206 Ų | 206 | 129.4 Ų | 129.4 | 78% | 0.777 | 75% | 0.754 | S | S | * | * | | | trans | 78.5 | 134.5 | 151.5 | -94.6 | 167 | -164.6 | -97.5 | -9.3 | 124.8 | | |
| 726 | Q | 29.3 | Very low | 32.3 | Very low | 180 Ų | 180 | 130 Ų | 130 | 84% | 0.841 | 76% | 0.757 | S | S | * | * | | | trans | 86.1 | 156.9 | 158.1 | -65.9 | -172.8 | -77.4 | 0 | 0 | 120.5 | | |
| 727 | I | 27.3 | Very low | 32.1 | Very low | 158 Ų | 158 | 133.1 Ų | 133.1 | 81% | 0.81 | 76% | 0.763 | S | S | * | * | | | trans | -163.1 | 153.1 | -149.6 | -63.3 | 172.3 | 0 | 0 | 0 | 105.3 | | |
| 728 | P | 51.7 | Low | 31.6 | Very low | 101 Ų | 101 | 132.3 Ų | 132.3 | 66% | 0.656 | 76% | 0.759 | S | S | * | * | | | cis | -128.2 | -167.7 | -4.2 | 23.9 | 1.7 | 0 | 0 | 0 | 114.6 | | |
| 729 | Q | 25.4 | Very low | 32.3 | Very low | 167 Ų | 167 | 132.1 Ų | 132.1 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | | | trans | 107.2 | 119.1 | 145.1 | -59.6 | -160.9 | -122.4 | 0 | 0 | 121.4 | | |
| 730 | S | 28.5 | Very low | 32.2 | Very low | 84 Ų | 84 | 133 Ų | 133 | 59% | 0.587 | 76% | 0.761 | S | S | * | * | | | trans | 61.5 | 162.5 | 132.6 | 69.3 | 0 | 0 | 0 | 0 | 124 | | |
| 731 | D | 26 | Very low | 32.1 | Very low | 144 Ų | 144 | 128.8 Ų | 128.8 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | | | trans | 84.2 | 100.4 | 154.3 | -51.6 | -46 | 0 | 0 | 0 | 121.2 | | |
| 732 | S | 28.7 | Very low | 31.8 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | | | trans | -54.8 | 154 | 135.6 | -164.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 733 | P | 47.9 | Very low | 31.7 | Very low | 105 Ų | 105 | 133 Ų | 133 | 68% | 0.682 | 75% | 0.752 | S | S | * | * | | | cis | -156.8 | -164.2 | 39.2 | 45.1 | -22.6 | 0 | 0 | 0 | 117.2 | | |
| 734 | V | 25.1 | Very low | 31.6 | Very low | 134 Ų | 134 | 131.2 Ų | 131.2 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | | | trans | 61.5 | 137.1 | 148.4 | 165 | 0 | 0 | 0 | 0 | 120.4 | | |
| 735 | G | 27.5 | Very low | 32 | Very low | 63 Ų | 63 | 129.8 Ų | 129.8 | 65% | 0.649 | 75% | 0.748 | S | S | * | * | | | trans | 153.8 | 82.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 736 | L | 28.4 | Very low | 31.6 | Very low | 163 Ų | 163 | 126.8 Ų | 126.8 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | | | | 47.8 | 123.4 | 90.9 | -54.7 | 178 | 0 | 0 | 0 | 111.9 | | |
| 737 | R | 30.1 | Very low | 31.5 | Very low | 232 Ų | 232 | 125.5 Ų | 125.5 | 88% | 0.875 | 75% | 0.746 | S | S | * | * | | | cis | -169.2 | 136.8 | 47.9 | -179.2 | 170.7 | -174.9 | 159 | 1.2 | 112.5 | | |
| 738 | S | 30.7 | Very low | 31.6 | Very low | 89 Ų | 89 | 125.6 Ų | 125.6 | 62% | 0.622 | 75% | 0.745 | S | S | * | * | | | trans | -86.7 | 151.3 | 164.1 | 173.6 | 0 | 0 | 0 | 0 | 111 | V740 | S738-V740 PolarHBondContact OG-N 3.39Š|
| 739 | P | 42.4 | Very low | 31 | Very low | 110 Ų | 110 | 126 Ų | 126 | 71% | 0.714 | 75% | 0.748 | S | S | * | * | | | | -107 | 131.6 | 125.9 | -12.8 | 30.8 | 0 | 0 | 0 | 109.6 | | |
| 740 | V | 27.3 | Very low | 31.2 | Very low | 136 Ų | 136 | 123.1 Ų | 123.1 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | | | | 60.9 | 116.5 | 60.2 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | S738 | S738-V740 PolarHBondContact OG-N 3.39Š|
| 741 | G | 27.3 | Very low | 31.2 | Very low | 73 Ų | 73 | 124 Ų | 124 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | | | cis | -178.9 | -172.5 | -0.8 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 742 | A | 27.7 | Very low | 31.2 | Very low | 78 Ų | 78 | 122.1 Ų | 122.1 | 65% | 0.645 | 76% | 0.756 | S | S | * | * | | | cis | -163.1 | 177.6 | -11.2 | 0 | 0 | 0 | 0 | 0 | 105.8 | | |
| 743 | F | 28 | Very low | 31 | Very low | 205 Ų | 205 | 123.7 Ų | 123.7 | 90% | 0.899 | 76% | 0.761 | S | S | * | * | | | cis | -143.4 | 160.9 | 14.2 | -66.6 | -95.9 | 0 | 0 | 0 | 111.2 | | |
| 744 | A | 35.6 | Very low | 30 | Very low | 89 Ų | 89 | 121.7 Ų | 121.7 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | | | trans | -122.1 | 170.7 | 138.3 | 0 | 0 | 0 | 0 | 0 | 105.5 | | |
| 745 | P | 40.8 | Very low | 30.5 | Very low | 101 Ų | 101 | 123.1 Ų | 123.1 | 66% | 0.656 | 76% | 0.763 | S | S | * | * | | | | -147.5 | -157.4 | 50.8 | 45.1 | -24.2 | 0 | 0 | 0 | 113.8 | | |
| 746 | D | 27.4 | Very low | 30.5 | Very low | 143 Ų | 143 | 126.7 Ų | 126.7 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | | | trans | 32.8 | 126.1 | 147.2 | -46.1 | -32.2 | 0 | 0 | 0 | 118.3 | | |
| 747 | D | 28.5 | Very low | 30.7 | Very low | 153 Ų | 153 | 125 Ų | 125 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | | | | -155.4 | -175.5 | 67.9 | -137.7 | -36.7 | 0 | 0 | 0 | 115.7 | | |
| 748 | M | 28.4 | Very low | 30.8 | Very low | 159 Ų | 159 | 118.9 Ų | 118.9 | 78% | 0.783 | 75% | 0.749 | S | S | * | * | | | trans | -43 | 163 | -177.4 | -76.3 | -74.8 | -79.1 | 0 | 0 | 119.3 | | |
| 749 | P | 39.4 | Very low | 30.9 | Very low | 111 Ų | 111 | 121.5 Ų | 121.5 | 72% | 0.721 | 75% | 0.751 | S | S | * | * | | | trans | -80 | 173.9 | -175.6 | 34.8 | -38.8 | 0 | 0 | 0 | 114.7 | | |
| 750 | A | 30.1 | Very low | 30.4 | Very low | 105 Ų | 105 | 123.9 Ų | 123.9 | 87% | 0.868 | 75% | 0.753 | S | S | * | * | | | trans | 80.1 | 107 | 166.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 751 | S | 27.6 | Very low | 30.6 | Very low | 104 Ų | 104 | 123.3 Ų | 123.3 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | | | trans | -132 | 115.5 | 148.8 | 59.9 | 0 | 0 | 0 | 0 | 106.2 | | |
| 752 | S | 26.6 | Very low | 31.1 | Very low | 103 Ų | 103 | 127.6 Ų | 127.6 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | | | | 63.8 | 137.8 | 70.1 | 81 | 0 | 0 | 0 | 0 | 113.7 | | |
| 753 | T | 24.8 | Very low | 31.4 | Very low | 141 Ų | 141 | 128.3 Ų | 128.3 | 87% | 0.865 | 74% | 0.739 | S | S | * | * | | | cis | -168.1 | 145.7 | -11.5 | -89.7 | 0 | 0 | 0 | 0 | 107.7 | | |
| 754 | G | 27.6 | Very low | 31.7 | Very low | 64 Ų | 64 | 127 Ų | 127 | 66% | 0.66 | 74% | 0.735 | S | S | * | * | | | trans | 83 | 146.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 755 | L | 34.2 | Very low | 31.6 | Very low | 164 Ų | 164 | 130.4 Ų | 130.4 | 86% | 0.859 | 74% | 0.74 | S | S | * | * | | | cis | -133.5 | 130 | 3 | -69.9 | 169.4 | 0 | 0 | 0 | 107.2 | | |
| 756 | D | 28.9 | Very low | 31 | Very low | 137 Ų | 137 | 129 Ų | 129 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | | | | 68.4 | 123.8 | 85.9 | -158.5 | 66.1 | 0 | 0 | 0 | 112.3 | | |
| 757 | M | 31.7 | Very low | 31.8 | Very low | 127 Ų | 127 | 127.8 Ų | 127.8 | 63% | 0.626 | 74% | 0.743 | S | S | * | * | | | cis | -122.9 | 167.4 | 1.6 | -101.8 | -89.2 | 91.4 | 0 | 0 | 108.8 | E759 | M757-E759 HydrophobicContact CE-CG 4.29Š|
| 758 | S | 31.9 | Very low | 31.8 | Very low | 105 Ų | 105 | 127.6 Ų | 127.6 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | | | cis | -159.4 | 159 | 42.9 | -176.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 759 | E | 32.5 | Very low | 32.2 | Very low | 144 Ų | 144 | 128 Ų | 128 | 67% | 0.673 | 74% | 0.742 | S | S | * | * | | | trans | -65.9 | 171 | 173.2 | -62.9 | 153 | 125.7 | 0 | 0 | 113 | M757 | M757-E759 HydrophobicContact CE-CG 4.29Š|
| 760 | Q | 32.2 | Very low | 31.7 | Very low | 159 Ų | 159 | 129.2 Ų | 129.2 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | | | cis | -159.7 | 169.6 | 6.9 | -133.7 | 179.1 | -48.7 | 0 | 0 | 106.6 | | |
| 761 | D | 30.7 | Very low | 31.8 | Very low | 124 Ų | 124 | 128.2 Ų | 128.2 | 66% | 0.663 | 73% | 0.73 | S | S | * | * | | | cis | -149.2 | 175.2 | -1.4 | -153.5 | -21.8 | 0 | 0 | 0 | 109.1 | | |
| 762 | E | 38.3 | Very low | 32 | Very low | 163 Ų | 163 | 127.7 Ų | 127.7 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | | | trans | -84.5 | -168 | -175.7 | -47 | -174.4 | 124.1 | 0 | 0 | 113.1 | | |
| 763 | N | 35.1 | Very low | 32.3 | Very low | 94 Ų | 94 | 132.2 Ų | 132.2 | 50% | 0.503 | 73% | 0.733 | S | S | . | * | | | cis | -143.8 | -168.4 | 3.4 | -143.9 | -98.3 | 0 | 0 | 0 | 104.8 | | |
| 764 | H | 33.3 | Very low | 32.6 | Very low | 176 Ų | 176 | 134 Ų | 134 | 82% | 0.815 | 73% | 0.731 | S | S | * | * | | | cis | -143.9 | 166.8 | 21.2 | -81.8 | -59.7 | 0 | 0 | 0 | 114.3 | | |
| 765 | L | 33.5 | Very low | 32.8 | Very low | 162 Ų | 162 | 135.4 Ų | 135.4 | 85% | 0.848 | 73% | 0.731 | S | S | * | * | | | trans | -54.4 | 168.5 | 161.7 | -47.9 | 170 | 0 | 0 | 0 | 113.5 | | |
| 766 | G | 28.4 | Very low | 32.3 | Very low | 70 Ų | 70 | 133.4 Ų | 133.4 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | | | cis | -170.4 | -173.3 | 9.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 767 | P | 44.6 | Very low | 32.4 | Very low | 118 Ų | 118 | 134 Ų | 134 | 77% | 0.766 | 73% | 0.733 | S | S | * | * | | | trans | -111.3 | 170.9 | -154.3 | 41.8 | -36.7 | 0 | 0 | 0 | 116.8 | | |
| 768 | D | 28.4 | Very low | 32.2 | Very low | 150 Ų | 150 | 136.4 Ų | 136.4 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | | | trans | 158.8 | 157.5 | 139.5 | -85.1 | -8.3 | 0 | 0 | 0 | 108.7 | | |
| 769 | E | 35.9 | Very low | 31.9 | Very low | 166 Ų | 166 | 136.9 Ų | 136.9 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | | | cis | -174 | 131.8 | -42.9 | -115.1 | -61.7 | 101.8 | 0 | 0 | 104.6 | | |
| 770 | D | 29 | Very low | 31.5 | Very low | 138 Ų | 138 | 135.4 Ų | 135.4 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | | | trans | 66.9 | 154.4 | 156.6 | -153.6 | 33.9 | 0 | 0 | 0 | 125.5 | | |
| 771 | S | 32.2 | Very low | 31.6 | Very low | 84 Ų | 84 | 135.1 Ų | 135.1 | 59% | 0.587 | 75% | 0.754 | S | S | * | * | | | trans | 73.8 | 97.4 | 149.2 | -89.6 | 0 | 0 | 0 | 0 | 124.2 | | |
| 772 | S | 32.9 | Very low | 31.5 | Very low | 93 Ų | 93 | 138 Ų | 138 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | | | | 60 | 103.5 | 108.6 | -59.5 | 0 | 0 | 0 | 0 | 121.7 | | |
| 773 | K | 33.2 | Very low | 30.8 | Very low | 198 Ų | 198 | 137.1 Ų | 137.1 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | | | | 40.4 | 114.3 | 125.2 | -53 | 164.4 | -169.3 | 157.2 | 0 | 119.3 | | |
| 774 | E | 29.1 | Very low | 30.5 | Very low | 177 Ų | 177 | 136.8 Ų | 136.8 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | | | trans | -156.6 | 168.3 | 130.5 | -169.4 | 40.9 | -105.9 | 0 | 0 | 109.4 | | |
| 775 | S | 32.2 | Very low | 30.1 | Very low | 94 Ų | 94 | 133.6 Ų | 133.6 | 66% | 0.657 | 77% | 0.767 | S | S | * | * | | | trans | -115.5 | 139.2 | 177.4 | 63.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 776 | S | 25.1 | Very low | 30 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | | | trans | -165.6 | 179.7 | 146.8 | -154.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 777 | L | 30.2 | Very low | 30.1 | Very low | 151 Ų | 151 | 135.4 Ų | 135.4 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | trans | -113.6 | 161.1 | -175.6 | -61.5 | 167.7 | 0 | 0 | 0 | 112.1 | | |
| 778 | Q | 27.3 | Very low | 29.4 | Very low | 177 Ų | 177 | 137.6 Ų | 137.6 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | | | trans | 92.3 | 134.2 | 136.4 | -154.5 | 170.6 | -44.4 | 0 | 0 | 119.6 | | |
| 779 | S | 24.9 | Very low | 29.7 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | | | trans | 70.1 | 158.8 | 173.8 | 81.9 | 0 | 0 | 0 | 0 | 115.9 | | |
| 780 | S | 25.3 | Very low | 29.3 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | | | cis | -140.9 | 173.9 | -0 | -155.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 781 | L | 33 | Very low | 29.2 | Very low | 152 Ų | 152 | 134.7 Ų | 134.7 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | | | trans | -69.5 | 147.3 | 176 | -62.5 | 162.4 | 0 | 0 | 0 | 112.3 | | |
| 782 | Q | 29 | Very low | 29.3 | Very low | 186 Ų | 186 | 138.4 Ų | 138.4 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | | | | -128.7 | 133.9 | 125.9 | -65.7 | -170.8 | 0.4 | 0 | 0 | 106.2 | | |
| 783 | D | 23.3 | Very low | 29.6 | Very low | 144 Ų | 144 | 141.6 Ų | 141.6 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | | | | 68.4 | 133.6 | 64.8 | -98.4 | -47.5 | 0 | 0 | 0 | 112.8 | | |
| 784 | S | 29.6 | Very low | 29.3 | Very low | 86 Ų | 86 | 136.1 Ų | 136.1 | 60% | 0.601 | 77% | 0.765 | S | S | * | * | | | cis | -152.5 | 176.4 | 3.9 | -60.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 785 | S | 25.8 | Very low | 29.3 | Very low | 110 Ų | 110 | 133 Ų | 133 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | | | trans | 61.5 | 144.3 | 150.9 | 47.7 | 0 | 0 | 0 | 0 | 120.2 | | |
| 786 | L | 30.2 | Very low | 29.5 | Very low | 153 Ų | 153 | 135.7 Ų | 135.7 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | | | cis | 85.3 | 144.8 | 24.1 | -163.7 | 143.4 | 0 | 0 | 0 | 114.4 | | |
| 787 | T | 30.2 | Very low | 29.6 | Very low | 116 Ų | 116 | 133 Ų | 133 | 71% | 0.712 | 77% | 0.768 | S | S | * | * | | | trans | 63.6 | 136.6 | -159.8 | 47.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 788 | E | 31.5 | Very low | 29.8 | Very low | 164 Ų | 164 | 134.6 Ų | 134.6 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | | | cis | 85.4 | 135.7 | 23.1 | -161.7 | 178.4 | 173.6 | 0 | 0 | 114.6 | | |
| 789 | I | 34.1 | Very low | 29.9 | Very low | 163 Ų | 163 | 129.2 Ų | 129.2 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | | | trans | 66.2 | 140.7 | -175.5 | -66.9 | 150.1 | 0 | 0 | 0 | 114.1 | | |
| 790 | G | 26.2 | Very low | 30.4 | Very low | 63 Ų | 63 | 127.8 Ų | 127.8 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | | | cis | 156.8 | 162.6 | -10.6 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 791 | E | 28.1 | Very low | 30.7 | Very low | 167 Ų | 167 | 129.9 Ų | 129.9 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | | | trans | 73.8 | 138.6 | 157.4 | -60.2 | -161.8 | 175.1 | 0 | 0 | 123.5 | | |
| 792 | K | 34.4 | Very low | 30.8 | Very low | 162 Ų | 162 | 129.1 Ų | 129.1 | 70% | 0.704 | 76% | 0.761 | S | S | * | * | | | trans | 69.7 | 146.8 | 148.8 | -67.9 | 158 | 80.7 | 174.9 | 0 | 117.5 | | |
| 793 | M | 38.1 | Very low | 31.3 | Very low | 161 Ų | 161 | 127.3 Ų | 127.3 | 79% | 0.793 | 76% | 0.757 | S | S | * | * | | | cis | -162.9 | 168.4 | 2.7 | -119.5 | 179.1 | -35.2 | 0 | 0 | 108.2 | | |
| 794 | A | 27.5 | Very low | 31.7 | Very low | 82 Ų | 82 | 124.4 Ų | 124.4 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | | | cis | -154.2 | 141.2 | -5.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 795 | S | 29.6 | Very low | 31.9 | Very low | 113 Ų | 113 | 125.1 Ų | 125.1 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | | | | 70.6 | 96.7 | 87.2 | -165.4 | 0 | 0 | 0 | 0 | 118.5 | | |
| 796 | T | 35.8 | Very low | 32.2 | Very low | 149 Ų | 149 | 127.5 Ų | 127.5 | 91% | 0.914 | 77% | 0.768 | S | S | * | * | | | trans | 178.6 | 132.6 | 140.4 | 38.6 | 0 | 0 | 0 | 0 | 110 | | |
| 797 | G | 28.4 | Very low | 32.5 | Very low | 66 Ų | 66 | 126.9 Ų | 126.9 | 68% | 0.68 | 76% | 0.761 | S | S | * | * | | | cis | 162 | 124.6 | -16.1 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 798 | I | 33.6 | Very low | 33.1 | Very low | 184 Ų | 184 | 129.3 Ų | 129.3 | 94% | 0.944 | 76% | 0.762 | S | S | * | * | | | trans | 69.8 | 137 | 159.6 | -46.6 | 170.5 | 0 | 0 | 0 | 115.8 | | |
| 799 | G | 28.7 | Very low | 33.2 | Very low | 64 Ų | 64 | 128.1 Ų | 128.1 | 66% | 0.66 | 77% | 0.766 | S | S | * | * | | | cis | -157.6 | 160.3 | -2.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 800 | A | 35.3 | Very low | 33.1 | Very low | 84 Ų | 84 | 124.2 Ų | 124.2 | 69% | 0.694 | 76% | 0.758 | S | S | * | * | | | | 98.3 | 127.1 | 62.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 801 | D | 32.5 | Very low | 33.4 | Very low | 159 Ų | 159 | 129 Ų | 129 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | | | cis | -146.1 | -160.4 | -18 | -72.7 | -54.2 | 0 | 0 | 0 | 105.7 | | |
| 802 | D | 35.6 | Very low | 33.4 | Very low | 135 Ų | 135 | 129.6 Ų | 129.6 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | | | cis | -163.1 | 175.3 | 5.5 | -169.5 | 11.8 | 0 | 0 | 0 | 109.4 | | |
| 803 | L | 39.5 | Very low | 33.4 | Very low | 149 Ų | 149 | 128.8 Ų | 128.8 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | | | trans | 70.6 | 144.2 | 162.6 | -53.5 | -178.8 | 0 | 0 | 0 | 120.1 | | |
| 804 | A | 32 | Very low | 33.1 | Very low | 83 Ų | 83 | 125.6 Ų | 125.6 | 69% | 0.686 | 77% | 0.771 | S | S | * | * | | | cis | -169.3 | 153.3 | -20.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 805 | A | 32.8 | Very low | 33.8 | Very low | 101 Ų | 101 | 129.8 Ų | 129.8 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | | | trans | 64.3 | 156.6 | 157.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 806 | D | 31.2 | Very low | 34.1 | Very low | 160 Ų | 160 | 132.5 Ų | 132.5 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | | | cis | -145.7 | 165.1 | 0.6 | -164.8 | 15.5 | 0 | 0 | 0 | 111.9 | | |
| 807 | E | 37 | Very low | 34.2 | Very low | 140 Ų | 140 | 131.6 Ų | 131.6 | 65% | 0.654 | 77% | 0.771 | S | S | * | * | | | trans | -114.8 | 125.2 | -179.7 | -130.1 | -158 | -148.8 | 0 | 0 | 114.1 | | |
| 808 | K | 43.8 | Very low | 35 | Very low | 166 Ų | 166 | 136.6 Ų | 136.6 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | | | trans | 52.4 | 110.2 | 130.6 | 169.3 | -150.6 | -178.7 | 179.7 | 0 | 120 | | |
| 809 | T | 33.3 | Very low | 35.2 | Very low | 139 Ų | 139 | 135.7 Ų | 135.7 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | | | trans | -154.9 | 148.4 | 136.5 | 34.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 810 | A | 31.2 | Very low | 36.1 | Very low | 81 Ų | 81 | 140 Ų | 140 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | | | cis | 98.6 | 79.7 | 18.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 811 | L | 32.3 | Very low | 36.4 | Very low | 165 Ų | 165 | 143.4 Ų | 143.4 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | | | trans | 57.9 | 117.7 | 150.1 | -51.8 | 173.8 | 0 | 0 | 0 | 119.8 | | |
| 812 | H | 28.4 | Very low | 36.8 | Very low | 178 Ų | 178 | 143.5 Ų | 143.5 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | | | | -169.5 | 179.8 | 97.8 | -137.2 | -102.5 | 0 | 0 | 0 | 113.1 | | |
| 813 | I | 33.8 | Very low | 36.9 | Very low | 146 Ų | 146 | 143.4 Ų | 143.4 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | | | trans | -108.7 | 148.7 | -169.6 | -61.4 | 160.3 | 0 | 0 | 0 | 112 | | |
| 814 | A | 32.3 | Very low | 36.7 | Very low | 93 Ų | 93 | 141.6 Ų | 141.6 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | trans | -134.7 | 149.6 | 150.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 815 | E | 43.5 | Very low | 36.7 | Very low | 171 Ų | 171 | 142.5 Ų | 142.5 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | | | trans | -74.2 | 169.7 | 174.1 | -69.3 | 145.5 | 132.9 | 0 | 0 | 109.9 | | |
| 816 | E | 35.9 | Very low | 37.3 | Very low | 169 Ų | 169 | 143.6 Ų | 143.6 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | | | cis | -170.1 | 173.2 | 36 | -153.5 | 160.2 | -115.4 | 0 | 0 | 111.3 | | |
| 817 | T | 37.7 | Very low | 37.8 | Very low | 130 Ų | 130 | 140.9 Ų | 140.9 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | | | trans | 87.5 | 126.9 | 168 | -44.6 | 0 | 0 | 0 | 0 | 119 | | |
| 818 | E | 43.6 | Very low | 38.4 | Very low | 172 Ų | 172 | 140.3 Ų | 140.3 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | trans | -71.3 | 156.9 | 179.5 | -33.1 | -86.7 | 128.4 | 0 | 0 | 113.7 | | |
| 819 | D | 38.3 | Very low | 39.5 | Very low | 165 Ų | 165 | 138 Ų | 138 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | | | | -167.6 | 150.2 | 119.1 | -109.3 | -24.7 | 0 | 0 | 0 | 113.9 | L821 | D819-L821 PolarHBondContact O-N 3.31Š|
| 820 | D | 47.4 | Very low | 42 | Very low | 155 Ų | 155 | 135.2 Ų | 135.2 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -63.7 | 119.8 | -165.8 | -84.4 | -43.6 | 0 | 0 | 0 | 116.4 | | |
| 821 | L | 43.3 | Very low | 44.6 | Very low | 155 Ų | 155 | 136.4 Ų | 136.4 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | S | Bend | | -169.9 | -26.7 | 126.9 | -166.7 | 49.6 | 0 | 0 | 0 | 114.9 | D819 | D819-L821 PolarHBondContact O-N 3.31Š|
| 822 | L | 39.9 | Very low | 47.3 | Very low | 161 Ų | 161 | 134.3 Ų | 134.3 | 84% | 0.843 | 74% | 0.742 | S | S | * | * | | | trans | -95.2 | 12.6 | -165.3 | -65.5 | 178.7 | 0 | 0 | 0 | 116.4 | S824 | L822-S824 VanDerWaalsContact C-N 3.26Å; L822-S824 PolarHBondContact O-N 3.24Å |
| 823 | T | 37.7 | Very low | 50.3 | Low | 132 Ų | 132 | 128.5 Ų | 128.5 | 81% | 0.81 | 72% | 0.718 | S | S | * | * | | | trans | -86.5 | 49.8 | -174.2 | -34.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 824 | S | 35.8 | Very low | 53.3 | Low | 112 Ų | 112 | 125.4 Ų | 125.4 | 78% | 0.783 | 70% | 0.702 | S | S | * | * | | | trans | -122.2 | 62.9 | 158.5 | 73.8 | 0 | 0 | 0 | 0 | 109.9 | L822 | L822-S824 VanDerWaalsContact C-N 3.26Å; L822-S824 PolarHBondContact O-N 3.24Å |
| 825 | T | 31.7 | Very low | 56.3 | Low | 101 Ų | 101 | 126.7 Ų | 126.7 | 62% | 0.62 | 69% | 0.691 | S | S | * | * | | | trans | -55.1 | 142.9 | 164.1 | 48.2 | 0 | 0 | 0 | 0 | 109.1 | T827 | T825-T827 PolarHBondContact O-N 3.27Š|
| 826 | P | 44.8 | Very low | 58.6 | Low | 125 Ų | 125 | 122 Ų | 122 | 81% | 0.812 | 67% | 0.673 | S | S | * | * | | | trans | -71.9 | 84.9 | 178.2 | 29.7 | -34.1 | 0 | 0 | 0 | 108.9 | T828 | P826-T828 PolarHBondContact O-N 3.03Š|
| 827 | T | 42.6 | Very low | 61.4 | Low | 102 Ų | 102 | 117.7 Ų | 117.7 | 63% | 0.626 | 66% | 0.655 | S | S | * | * | | | trans | -57.6 | 116.5 | 172.9 | 42.9 | 0 | 0 | 0 | 0 | 108 | T825 H829 | T825-T827 PolarHBondContact O-N 3.27Å; T827-H829 PolarHBondContact O-N 3.22Å |
| 828 | T | 48.5 | Very low | 64.1 | Low | 129 Ų | 129 | 116 Ų | 116 | 79% | 0.791 | 64% | 0.64 | S | S | * | * | | | trans | -61.3 | 101.9 | 179.1 | 36.2 | 0 | 0 | 0 | 0 | 108.1 | P826 T830 | P826-T828 PolarHBondContact O-N 3.03Å; T828-T830 PolarHBondContact O-N 3.06Å |
| 829 | H | 68.5 | Low | 66.4 | Low | 116 Ų | 116 | 112.6 Ų | 112.6 | 54% | 0.537 | 62% | 0.624 | S | S | . | * | | | trans | -52.7 | 105.6 | -173.6 | -72.8 | -69.5 | 0 | 0 | 0 | 109.9 | T827 D833 L834 | T827-H829 PolarHBondContact O-N 3.22Å; H829-D833 IonicContact CE1-OD2 3.64Å; H829-D833 IonicContact CG-OD2 3.72Å; H829-D833 IonicContact ND1-OD2 2.75Å; H829-D833 PolarHBondContact ND1-OD2 3.37Å; H829-L834 HydrophobicContact CB-CD1 4.39Å; H829-L834 HydrophobicContact CB-CG 4.18Å |
| 830 | T | 84.3 | Confident | 68.9 | Low | 82 Ų | 82 | 113.2 Ų | 113.2 | 50% | 0.503 | 61% | 0.614 | S | S | . | * | | | trans | -63.5 | 155.9 | 179.6 | 65.1 | 0 | 0 | 0 | 0 | 108.8 | T828 E832 D833 L834 | T828-T830 PolarHBondContact O-N 3.06Å; T830-E832 PolarHBondContact O-N 3.31Å; T830-E832 VanDerWaalsContact O-N 3.15Å; T830-D833 PolarHBondContact O-N 2.72Å; T830-D833 PolarHBondContact OG1-N 3.38Å; T830-L834 PolarHBondContact O-N 2.81Å |
| 831 | T | 87.1 | Confident | 70.9 | Confident | 105 Ų | 105 | 108.8 Ų | 108.8 | 64% | 0.644 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -56.1 | -32.5 | 176.7 | 44.5 | 0 | 0 | 0 | 0 | 111.9 | L834 F835 | T831-L834 WeakPolarHBondContact O-CB 3.28Å; T831-F835 WeakPolarHBondContact O-CD2 3.35Å; T831-F835 WeakPolarHBondContact O-CG 3.27Å; T831-F835 PolarHBondContact O-N 2.79Å |
| 832 | E | 87.4 | Confident | 73.2 | Confident | 121 Ų | 121 | 107 Ų | 107 | 57% | 0.565 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -71.9 | -36.7 | 175 | -172.6 | 55 | -149.2 | 0 | 0 | 113.8 | T830 F835 T836 | T830-E832 PolarHBondContact O-N 3.31Å; T830-E832 VanDerWaalsContact O-N 3.15Å; E832-F835 PolarHBondContact O-N 3.1Å; E832-T836 VanDerWaalsContact O-CB 3.28Å; E832-T836 WeakPolarHBondContact O-CB 3.23Å; E832-T836 PolarHBondContact O-N 3.16Å; E832-T836 PolarHBondContact O-OG1 3.24Å |
| 833 | D | 92.7 | Very high | 75.2 | Confident | 57 Ų | 57 | 105 Ų | 105 | 31% | 0.305 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.8 | -41.8 | 171.7 | -177.3 | 42.5 | 0 | 0 | 0 | 110.7 | H829 T830 F835 T836 I837 | H829-D833 IonicContact CE1-OD2 3.64Å; H829-D833 IonicContact CG-OD2 3.72Å; H829-D833 IonicContact ND1-OD2 2.75Å; H829-D833 PolarHBondContact ND1-OD2 3.37Å; T830-D833 PolarHBondContact O-N 2.72Å; T830-D833 PolarHBondContact OG1-N 3.38Å; D833-F835 PolarHBondContact O-N 3.07Å; D833-T836 CarbonylContact O-C 3.58Å; D833-T836 WeakPolarHBondContact O-CB 3.42Å; D833-T836 PolarHBondContact O-N 3.01Å; D833-T836 VanDerWaalsContact O-N 3.12Å; D833-I837 WeakPolarHBondContact O-CB 3.17Å; D833-I837 VanDerWaalsContact O-CG1 3.27Å; D833-I837 WeakPolarHBondContact O-CG1 3.05Å; D833-I837 PolarHBondContact O-N 3.24Å; D833-I837 WeakPolarHBondContact OD2-CD1 3.42Å |
| 834 | L | 95.5 | Very high | 77.3 | Confident | 81 Ų | 81 | 106.2 Ų | 106.2 | 42% | 0.424 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -56.8 | -46.9 | 170.8 | -78.3 | 158.3 | 0 | 0 | 0 | 111.7 | H829 T830 T831 T836 I838 | H829-L834 HydrophobicContact CB-CD1 4.39Å; H829-L834 HydrophobicContact CB-CG 4.18Å; T830-L834 PolarHBondContact O-N 2.81Å; T831-L834 WeakPolarHBondContact O-CB 3.28Å; L834-T836 VanDerWaalsContact C-N 3.34Å; L834-T836 PolarHBondContact O-N 3.48Å; L834-I838 VanDerWaalsContact O-CB 3.28Å; L834-I838 WeakPolarHBondContact O-CB 3.38Å; L834-I838 WeakPolarHBondContact O-CD1 3.46Å; L834-I838 WeakPolarHBondContact O-CG1 3.25Å; L834-I838 PolarHBondContact O-N 2.69Å |
| 835 | F | 95.4 | Very high | 79.5 | Confident | 120 Ų | 120 | 106.5 Ų | 106.5 | 53% | 0.526 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.6 | -37.9 | 174.5 | -70.7 | -51.4 | 0 | 0 | 0 | 112.6 | T831 E832 D833 I838 H839 | T831-F835 WeakPolarHBondContact O-CD2 3.35Å; T831-F835 WeakPolarHBondContact O-CG 3.27Å; T831-F835 PolarHBondContact O-N 2.79Å; E832-F835 PolarHBondContact O-N 3.1Å; D833-F835 PolarHBondContact O-N 3.07Å; F835-I838 PolarHBondContact O-N 3.43Å; F835-H839 VanDerWaalsContact O-CB 3.24Å; F835-H839 WeakPolarHBondContact O-CB 3.46Å; F835-H839 PolarHBondContact O-N 3.3Å |
| 836 | T | 92.8 | Very high | 81.9 | Confident | 71 Ų | 71 | 107.2 Ų | 107.2 | 44% | 0.436 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.1 | -46.9 | 177.2 | -69.3 | 0 | 0 | 0 | 0 | 111.8 | E832 D833 L834 H839 R840 | E832-T836 VanDerWaalsContact O-CB 3.28Å; E832-T836 WeakPolarHBondContact O-CB 3.23Å; E832-T836 PolarHBondContact O-N 3.16Å; E832-T836 PolarHBondContact O-OG1 3.24Å; D833-T836 CarbonylContact O-C 3.58Å; D833-T836 WeakPolarHBondContact O-CB 3.42Å; D833-T836 PolarHBondContact O-N 3.01Å; D833-T836 VanDerWaalsContact O-N 3.12Å; L834-T836 VanDerWaalsContact C-N 3.34Å; L834-T836 PolarHBondContact O-N 3.48Å; T836-H839 PolarHBondContact O-N 2.83Å; T836-R840 VanDerWaalsContact O-CB 3.26Å; T836-R840 WeakPolarHBondContact O-CB 3.47Å; T836-R840 PolarHBondContact O-N 2.89Å |
| 837 | I | 94.1 | Very high | 83.2 | Confident | 79 Ų | 79 | 104.2 Ų | 104.2 | 41% | 0.405 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 174 | -68.9 | 165.9 | 0 | 0 | 0 | 110.1 | D833 H839 R840 S841 | D833-I837 WeakPolarHBondContact O-CB 3.17Å; D833-I837 VanDerWaalsContact O-CG1 3.27Å; D833-I837 WeakPolarHBondContact O-CG1 3.05Å; D833-I837 PolarHBondContact O-N 3.24Å; D833-I837 WeakPolarHBondContact OD2-CD1 3.42Å; I837-H839 PolarHBondContact O-N 3.38Å; I837-R840 PolarHBondContact O-N 3.02Å; I837-S841 WeakPolarHBondContact O-CB 3.34Å; I837-S841 PolarHBondContact O-N 3.47Å |
| 838 | I | 94 | Very high | 84.5 | Confident | 94 Ų | 94 | 108.6 Ų | 108.6 | 48% | 0.482 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 176.8 | -70.8 | 165.3 | 0 | 0 | 0 | 110.7 | L834 F835 S841 K842 | L834-I838 VanDerWaalsContact O-CB 3.28Å; L834-I838 WeakPolarHBondContact O-CB 3.38Å; L834-I838 WeakPolarHBondContact O-CD1 3.46Å; L834-I838 WeakPolarHBondContact O-CG1 3.25Å; L834-I838 PolarHBondContact O-N 2.69Å; F835-I838 PolarHBondContact O-N 3.43Å; I838-S841 PolarHBondContact O-N 3.08Å; I838-K842 WeakPolarHBondContact O-CB 3.36Å; I838-K842 PolarHBondContact O-N 3.5Å |
| 839 | H | 93 | Very high | 84.9 | Confident | 102 Ų | 102 | 110.4 Ų | 110.4 | 47% | 0.472 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.7 | -39.6 | 178.5 | -86.1 | -153.8 | 0 | 0 | 0 | 112.6 | F835 T836 I837 R843 | F835-H839 VanDerWaalsContact O-CB 3.24Å; F835-H839 WeakPolarHBondContact O-CB 3.46Å; F835-H839 PolarHBondContact O-N 3.3Å; T836-H839 PolarHBondContact O-N 2.83Å; I837-H839 PolarHBondContact O-N 3.38Å; H839-R843 VanDerWaalsContact O-CB 3.27Å; H839-R843 WeakPolarHBondContact O-CB 3.44Å; H839-R843 PolarHBondContact O-N 3.15Å |
| 840 | R | 90.8 | Very high | 84.4 | Confident | 177 Ų | 177 | 108 Ų | 108 | 67% | 0.668 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.3 | -46.2 | 173.2 | -172.3 | -179.8 | -177.6 | -147.7 | 3.6 | 111.1 | T836 I837 R843 K844 | T836-R840 VanDerWaalsContact O-CB 3.26Å; T836-R840 WeakPolarHBondContact O-CB 3.47Å; T836-R840 PolarHBondContact O-N 2.89Å; I837-R840 PolarHBondContact O-N 3.02Å; R840-R843 PolarHBondContact O-N 3.12Å; R840-K844 WeakPolarHBondContact O-CG 3.28Å; R840-K844 PolarHBondContact O-N 2.89Å; R840-K844 VanDerWaalsContact O-N 3.07Å |
| 841 | S | 89.8 | Confident | 82.7 | Confident | 63 Ų | 63 | 110.3 Ų | 110.3 | 44% | 0.441 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.2 | -52.1 | 177 | -176.5 | 0 | 0 | 0 | 0 | 111.7 | I837 I838 R843 K844 V845 | I837-S841 WeakPolarHBondContact O-CB 3.34Å; I837-S841 PolarHBondContact O-N 3.47Å; I838-S841 PolarHBondContact O-N 3.08Å; S841-R843 VanDerWaalsContact C-N 3.26Å; S841-R843 PolarHBondContact O-N 2.91Å; S841-K844 PolarHBondContact O-N 3.47Å; S841-K844 VanDerWaalsContact O-N 3.1Å; S841-V845 WeakPolarHBondContact O-CB 3.24Å; S841-V845 WeakPolarHBondContact O-CG2 3.26Å; S841-V845 PolarHBondContact O-N 2.78Å |
| 842 | K | 91.7 | Very high | 81 | Confident | 117 Ų | 117 | 109.6 Ų | 109.6 | 51% | 0.509 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -54.5 | -39.1 | 175 | 179.6 | 178.2 | 177.5 | -177.7 | 0 | 112.4 | I838 L846 | I838-K842 WeakPolarHBondContact O-CB 3.36Å; I838-K842 PolarHBondContact O-N 3.5Å; K842-L846 HydrophobicContact CG-CD1 3.9Å; K842-L846 VanDerWaalsContact O-CB 3.26Å; K842-L846 WeakPolarHBondContact O-CB 3.34Å; K842-L846 VanDerWaalsContact O-CG 3.22Å; K842-L846 WeakPolarHBondContact O-CG 3.5Å; K842-L846 PolarHBondContact O-N 2.94Å |
| 843 | R | 80.8 | Confident | 79.1 | Confident | 118 Ų | 118 | 109 Ų | 109 | 45% | 0.445 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.5 | -45.2 | 176.7 | -161.4 | -179.1 | -51.6 | -165.5 | 11.2 | 112 | H839 R840 S841 R848 E850 | H839-R843 VanDerWaalsContact O-CB 3.27Å; H839-R843 WeakPolarHBondContact O-CB 3.44Å; H839-R843 PolarHBondContact O-N 3.15Å; R840-R843 PolarHBondContact O-N 3.12Å; S841-R843 VanDerWaalsContact C-N 3.26Å; S841-R843 PolarHBondContact O-N 2.91Å; R843-R848 PolarHBondContact O-N 3.11Å; R843-E850 VanDerWaalsContact CD-OE1 3.23Å; R843-E850 WeakPolarHBondContact CD-OE1 3.13Å; R843-E850 IonicContact CZ-OE1 1.84Å; R843-E850 IonicContact NE-OE1 3.55Å; R843-E850 IonicContact NH1-OE1 3.78Å; R843-E850 PolarHBondContact NH1-OE1 3.45Å |
| 844 | K | 81.3 | Confident | 76.9 | Confident | 159 Ų | 159 | 110 Ų | 110 | 69% | 0.691 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.9 | -50.7 | 174.6 | -69.8 | 175.6 | 68.1 | 175.5 | 0 | 111.8 | R840 S841 L846 G847 | R840-K844 WeakPolarHBondContact O-CG 3.28Å; R840-K844 PolarHBondContact O-N 2.89Å; R840-K844 VanDerWaalsContact O-N 3.07Å; S841-K844 PolarHBondContact O-N 3.47Å; S841-K844 VanDerWaalsContact O-N 3.1Å; K844-L846 PolarHBondContact O-N 3.31Å; K844-G847 PolarHBondContact O-N 3.45Å; K844-G847 VanDerWaalsContact O-N 3.07Å |
| 845 | V | 82.9 | Confident | 74.5 | Confident | 118 Ų | 118 | 116.1 Ų | 116.1 | 72% | 0.715 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.2 | -35.8 | -178.1 | 172.4 | 0 | 0 | 0 | 0 | 112.5 | S841 G847 | S841-V845 WeakPolarHBondContact O-CB 3.24Å; S841-V845 WeakPolarHBondContact O-CG2 3.26Å; S841-V845 PolarHBondContact O-N 2.78Å; V845-G847 PolarHBondContact O-N 2.81Å |
| 846 | L | 81.4 | Confident | 71.9 | Confident | 115 Ų | 115 | 113.3 Ų | 113.3 | 60% | 0.602 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 3.4 | 175.7 | -69.4 | 173.3 | 0 | 0 | 0 | 114 | K842 K844 R848 | K842-L846 HydrophobicContact CG-CD1 3.9Å; K842-L846 VanDerWaalsContact O-CB 3.26Å; K842-L846 WeakPolarHBondContact O-CB 3.34Å; K842-L846 VanDerWaalsContact O-CG 3.22Å; K842-L846 WeakPolarHBondContact O-CG 3.5Å; K842-L846 PolarHBondContact O-N 2.94Å; K844-L846 PolarHBondContact O-N 3.31Å; L846-R848 HydrophobicContact CB-CG 4.48Å; L846-R848 PolarHBondContact O-N 3.49Å |
| 847 | G | 72.6 | Confident | 69.6 | Low | 62 Ų | 62 | 115.5 Ų | 115.5 | 64% | 0.639 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.5 | 17.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | K844 V845 K849 | K844-G847 PolarHBondContact O-N 3.45Å; K844-G847 VanDerWaalsContact O-N 3.07Å; V845-G847 PolarHBondContact O-N 2.81Å; G847-K849 VanDerWaalsContact C-N 3.29Å; G847-K849 PolarHBondContact O-N 2.82Å |
| 848 | R | 69.9 | Low | 67 | Low | 194 Ų | 194 | 123.1 Ų | 123.1 | 73% | 0.732 | 63% | 0.634 | S | S | * | * | | | trans | -78.7 | 83.3 | 178.5 | -75 | -168.1 | 173.1 | -155.4 | -1.2 | 108.9 | R843 L846 E850 | R843-R848 PolarHBondContact O-N 3.11Å; L846-R848 HydrophobicContact CB-CG 4.48Å; L846-R848 PolarHBondContact O-N 3.49Å; R848-E850 PolarHBondContact O-N 3.41Å |
| 849 | K | 56.7 | Low | 64.3 | Low | 168 Ų | 168 | 128.5 Ų | 128.5 | 73% | 0.73 | 66% | 0.657 | S | S | * | * | | | trans | -52.3 | 118.5 | 174.3 | -178.6 | 174.4 | -179.5 | 177.5 | 0 | 109.8 | G847 | G847-K849 VanDerWaalsContact C-N 3.29Å; G847-K849 PolarHBondContact O-N 2.82Å |
| 850 | E | 57.9 | Low | 61.4 | Low | 65 Ų | 65 | 128.8 Ų | 128.8 | 30% | 0.304 | 67% | 0.67 | S | S | . | * | | | trans | -64.5 | 136.7 | 171.8 | -85.5 | -61.4 | 150 | 0 | 0 | 110.5 | R843 R848 S852 D853 | R843-E850 VanDerWaalsContact CD-OE1 3.23Å; R843-E850 WeakPolarHBondContact CD-OE1 3.13Å; R843-E850 IonicContact CZ-OE1 1.84Å; R843-E850 IonicContact NE-OE1 3.55Å; R843-E850 IonicContact NH1-OE1 3.78Å; R843-E850 PolarHBondContact NH1-OE1 3.45Å; R848-E850 PolarHBondContact O-N 3.41Å; E850-S852 PolarHBondContact O-N 2.87Å; E850-S852 VanDerWaalsContact O-N 3.16Å; E850-D853 HydrophobicContact CB-CB 3.88Å; E850-D853 PolarHBondContact O-N 3.26Å |
| 851 | P | 48.7 | Very low | 58.9 | Low | 131 Ų | 131 | 127.7 Ų | 127.7 | 85% | 0.851 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -61.8 | -18.5 | 176 | -24.9 | 36 | 0 | 0 | 0 | 114.4 | | |
| 852 | S | 50.9 | Low | 56.2 | Low | 90 Ų | 90 | 131 Ų | 131 | 63% | 0.629 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -99.3 | -21.4 | -177.3 | 49.8 | 0 | 0 | 0 | 0 | 114.8 | E850 S854 | E850-S852 PolarHBondContact O-N 2.87Å; E850-S852 VanDerWaalsContact O-N 3.16Å; S852-S854 PolarHBondContact O-N 2.93Å |
| 853 | D | 48.7 | Very low | 53.3 | Low | 108 Ų | 108 | 130.6 Ų | 130.6 | 58% | 0.578 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | 62.8 | -169.1 | -161.4 | 12.4 | 0 | 0 | 0 | 112.4 | E850 | E850-D853 HydrophobicContact CB-CB 3.88Å; E850-D853 PolarHBondContact O-N 3.26Å |
| 854 | S | 45.6 | Very low | 51.1 | Low | 79 Ų | 79 | 130.9 Ų | 130.9 | 55% | 0.552 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.8 | 6 | 165.6 | -61.8 | 0 | 0 | 0 | 0 | 112.5 | S852 | S852-S854 PolarHBondContact O-N 2.93Š|
| 855 | F | 45.9 | Very low | 48.6 | Very low | 208 Ų | 208 | 128.8 Ų | 128.8 | 91% | 0.912 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -140.6 | 63 | 176.8 | -64.8 | -75.6 | 0 | 0 | 0 | 110.3 | | |
| 856 | G | 39.9 | Very low | 46.2 | Very low | 62 Ų | 62 | 131.9 Ų | 131.9 | 64% | 0.639 | 73% | 0.727 | S | S | * | * | | | trans | -127.9 | 19.7 | -167.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 857 | S | 44.3 | Very low | 43.8 | Very low | 117 Ų | 117 | 134.8 Ų | 134.8 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -136.6 | 36 | -176 | -168 | 0 | 0 | 0 | 0 | 114.9 | | |
| 858 | R | 40.1 | Very low | 41.7 | Very low | 239 Ų | 239 | 137.3 Ų | 137.3 | 90% | 0.902 | 75% | 0.745 | S | S | * | * | | | trans | -143.6 | 110.7 | 158.1 | -80 | -166.1 | 167.2 | -115 | -8.7 | 109.2 | S860 | R858-S860 VanDerWaalsContact C-N 3.28Å; R858-S860 PolarHBondContact O-N 2.87Å |
| 859 | Q | 37.9 | Very low | 39.8 | Very low | 207 Ų | 207 | 132.4 Ų | 132.4 | 97% | 0.967 | 75% | 0.747 | S | S | * | * | | | trans | -76.2 | 87.4 | 163.2 | -75.8 | 172.6 | -38.7 | 0 | 0 | 107.8 | | |
| 860 | S | 31.8 | Very low | 38.5 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | | | trans | -97.8 | 106.2 | 163.2 | -167.8 | 0 | 0 | 0 | 0 | 106.9 | R858 | R858-S860 VanDerWaalsContact C-N 3.28Å; R858-S860 PolarHBondContact O-N 2.87Å |
| 861 | L | 38.8 | Very low | 37.2 | Very low | 154 Ų | 154 | 134.9 Ų | 134.9 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | | | trans | -71.4 | 179.2 | 162.1 | -64.3 | 177.3 | 0 | 0 | 0 | 109.4 | | |
| 862 | V | 32.2 | Very low | 36.3 | Very low | 134 Ų | 134 | 134.1 Ų | 134.1 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | | | trans | 68.4 | 82.8 | -172.1 | -167.6 | 0 | 0 | 0 | 0 | 114 | | |
| 863 | S | 30.5 | Very low | 35.4 | Very low | 107 Ų | 107 | 136.7 Ų | 136.7 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 129.1 | 143.4 | 51.1 | 0 | 0 | 0 | 0 | 108.4 | V865 | S863-V865 PolarHBondContact O-N 2.84Š|
| 864 | P | 35 | Very low | 34.7 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -68 | 129.8 | -170.6 | -24.2 | 34.7 | 0 | 0 | 0 | 114.6 | | |
| 865 | V | 28.5 | Very low | 34.2 | Very low | 116 Ų | 116 | 146.4 Ų | 146.4 | 70% | 0.703 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 130.8 | 169.2 | 176.2 | 0 | 0 | 0 | 0 | 109.8 | S863 H867 | S863-V865 PolarHBondContact O-N 2.84Å; V865-H867 PolarHBondContact O-N 3.29Å |
| 866 | K | 32 | Very low | 33.5 | Very low | 183 Ų | 183 | 143.4 Ų | 143.4 | 80% | 0.796 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 122.1 | 179.2 | -69.8 | 179.9 | 176.3 | 179.8 | 0 | 112.2 | | |
| 867 | H | 31.3 | Very low | 33.3 | Very low | 175 Ų | 175 | 147.9 Ų | 147.9 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 165.9 | 149.1 | -80 | -123.8 | 0 | 0 | 0 | 109.4 | V865 | V865-H867 PolarHBondContact O-N 3.29Š|
| 868 | S | 28.7 | Very low | 32.6 | Very low | 115 Ų | 115 | 148.4 Ų | 148.4 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | -149.7 | 101.1 | -169.8 | -59.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 869 | A | 30 | Very low | 32.4 | Very low | 92 Ų | 92 | 145.1 Ų | 145.1 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | | | trans | -173.2 | 146.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 870 | I | 29.9 | Very low | 32.1 | Very low | 156 Ų | 156 | 138.6 Ų | 138.6 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | | | cis | -154.9 | 146.2 | -7.4 | -116 | 162.5 | 0 | 0 | 0 | 106.7 | | |
| 871 | V | 30.3 | Very low | 32.2 | Very low | 129 Ų | 129 | 139.4 Ų | 139.4 | 78% | 0.782 | 79% | 0.794 | S | S | * | * | | | trans | 40.8 | 113.2 | 161.8 | -178 | 0 | 0 | 0 | 0 | 117.7 | | |
| 872 | S | 30.9 | Very low | 32 | Very low | 114 Ų | 114 | 137 Ų | 137 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | | | | -163.6 | 154.9 | 87.2 | -63.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 873 | D | 30.4 | Very low | 32.3 | Very low | 144 Ų | 144 | 138.9 Ų | 138.9 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | | | trans | -71.2 | 151.8 | 175.5 | -78.5 | -71.8 | 0 | 0 | 0 | 114.6 | | |
| 874 | H | 34.7 | Very low | 33.3 | Very low | 174 Ų | 174 | 145.9 Ų | 145.9 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | | | | -172 | 96.5 | 129.7 | -91.4 | -13.9 | 0 | 0 | 0 | 114.1 | | |
| 875 | R | 34.7 | Very low | 33.7 | Very low | 218 Ų | 218 | 144.2 Ų | 144.2 | 82% | 0.823 | 79% | 0.791 | S | S | * | * | | | trans | 38.1 | 135.4 | 141.5 | 71.7 | -171.3 | -176.6 | 175.4 | 1 | 122.8 | | |
| 876 | N | 31.1 | Very low | 34.8 | Very low | 145 Ų | 145 | 142.9 Ų | 142.9 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | | | trans | 64.4 | 125.6 | 149.3 | -105.5 | 2.5 | 0 | 0 | 0 | 118.1 | | |
| 877 | L | 36.8 | Very low | 36.4 | Very low | 156 Ų | 156 | 136.6 Ų | 136.6 | 82% | 0.817 | 77% | 0.766 | S | S | * | * | | | | -153.4 | 150.7 | 50.7 | -84.3 | 168.8 | 0 | 0 | 0 | 113.3 | | |
| 878 | T | 30.1 | Very low | 38.1 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | | | trans | -95.8 | 130 | 168.9 | -59.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 879 | L | 34.6 | Very low | 40.3 | Very low | 171 Ų | 171 | 139.3 Ų | 139.3 | 90% | 0.895 | 76% | 0.76 | S | S | * | * | | | trans | -169 | 129.1 | 147 | -109.9 | 156.8 | 0 | 0 | 0 | 110.6 | | |
| 880 | G | 32.2 | Very low | 42.9 | Very low | 69 Ų | 69 | 139.9 Ų | 139.9 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | | | trans | -109.1 | 142.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 881 | S | 33.5 | Very low | 45.4 | Very low | 124 Ų | 124 | 137.5 Ų | 137.5 | 87% | 0.867 | 74% | 0.735 | S | S | * | * | | | trans | -145.4 | 153.9 | 165.5 | 63.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 882 | S | 35 | Very low | 47.9 | Very low | 104 Ų | 104 | 137 Ų | 137 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | | | trans | -93.2 | 146.1 | 177 | -176.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 883 | Q | 37.3 | Very low | 50.5 | Low | 173 Ų | 173 | 135.5 Ų | 135.5 | 81% | 0.808 | 70% | 0.704 | S | S | * | * | | | | 172.7 | 141.2 | 110.9 | -91.2 | -176.2 | -92.7 | 0 | 0 | 112.6 | S885 | Q883-S885 PolarHBondContact O-N 3.15Š|
| 884 | R | 51.4 | Low | 52.8 | Low | 255 Ų | 255 | 131 Ų | 131 | 96% | 0.962 | 69% | 0.687 | S | S | * | * | | | trans | -79.3 | 92.3 | 165.9 | -80.8 | 176.2 | 161.2 | 165.8 | -6.1 | 110.2 | | |
| 885 | S | 43.8 | Very low | 55 | Low | 89 Ų | 89 | 128.3 Ų | 128.3 | 62% | 0.622 | 68% | 0.678 | S | S | * | * | | | trans | -149.1 | 47.9 | 167.4 | -73.3 | 0 | 0 | 0 | 0 | 112.8 | Q883 S887 | Q883-S885 PolarHBondContact O-N 3.15Å; S885-S887 PolarHBondContact O-N 2.89Å |
| 886 | S | 51.2 | Low | 57.2 | Low | 88 Ų | 88 | 121.8 Ų | 121.8 | 62% | 0.615 | 66% | 0.659 | S | S | * | * | | | trans | -67.9 | 102.9 | 172.8 | -175.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 887 | S | 65.6 | Low | 59.2 | Low | 50 Ų | 50 | 121.5 Ų | 121.5 | 35% | 0.35 | 65% | 0.653 | S | S | . | * | | | trans | -68.8 | 153.7 | 169.2 | 73.2 | 0 | 0 | 0 | 0 | 110.1 | S885 N889 E890 N891 | S885-S887 PolarHBondContact O-N 2.89Å; S887-N889 PolarHBondContact O-N 3.04Å; S887-N889 VanDerWaalsContact O-N 3.14Å; S887-E890 WeakPolarHBondContact CA-OE2 3.1Å; S887-E890 WeakPolarHBondContact CB-OE2 2.95Å; S887-E890 PolarHBondContact N-OE2 3.42Å; S887-E890 PolarHBondContact O-N 3.37Å; S887-E890 WeakPolarHBondContact OG-CG 3.46Å; S887-E890 PolarHBondContact OG-N 2.76Å; S887-E890 PolarHBondContact OG-OE2 3.21Å; S887-N891 PolarHBondContact O-N 2.94Å |
| 888 | R | 67.2 | Low | 60.7 | Low | 240 Ų | 240 | 122.5 Ų | 122.5 | 91% | 0.906 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -59.4 | -25.5 | 174.9 | -168.8 | 174.9 | -177.4 | 173.7 | 0.5 | 112.2 | F892 | R888-F892 PolarHBondContact O-N 3.12Å |
| 889 | N | 74.8 | Confident | 61.9 | Low | 108 Ų | 108 | 124.9 Ų | 124.9 | 58% | 0.578 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -70.3 | -50.5 | 176.7 | -175.3 | 49.1 | 0 | 0 | 0 | 112.1 | S887 N891 F892 M893 | S887-N889 PolarHBondContact O-N 3.04Å; S887-N889 VanDerWaalsContact O-N 3.14Å; N889-N891 VanDerWaalsContact C-N 3.27Å; N889-N891 PolarHBondContact O-N 3.05Å; N889-F892 WeakPolarHBondContact O-CB 3.4Å; N889-F892 PolarHBondContact O-N 3.39Å; N889-F892 VanDerWaalsContact O-N 3.08Å; N889-M893 WeakPolarHBondContact O-CG 3.41Å; N889-M893 PolarHBondContact O-N 3.06Å |
| 890 | E | 85.7 | Confident | 63 | Low | 103 Ų | 103 | 119.7 Ų | 119.7 | 48% | 0.481 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -61.4 | -36.7 | 179.9 | -69.7 | 154.8 | 113.7 | 0 | 0 | 112.1 | S887 F892 M893 A894 | S887-E890 WeakPolarHBondContact CA-OE2 3.1Å; S887-E890 WeakPolarHBondContact CB-OE2 2.95Å; S887-E890 PolarHBondContact N-OE2 3.42Å; S887-E890 PolarHBondContact O-N 3.37Å; S887-E890 WeakPolarHBondContact OG-CG 3.46Å; S887-E890 PolarHBondContact OG-N 2.76Å; S887-E890 PolarHBondContact OG-OE2 3.21Å; E890-F892 VanDerWaalsContact C-N 3.32Å; E890-F892 PolarHBondContact O-N 3.14Å; E890-M893 PolarHBondContact O-N 2.93Å; E890-A894 VanDerWaalsContact O-CB 3.25Å; E890-A894 WeakPolarHBondContact O-CB 3.5Å; E890-A894 PolarHBondContact O-N 2.81Å |
| 891 | N | 81.9 | Confident | 63.6 | Low | 106 Ų | 106 | 121.3 Ų | 121.3 | 57% | 0.567 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -65.5 | -37 | 176.7 | -144.5 | -74.6 | 0 | 0 | 0 | 111.8 | S887 N889 L895 | S887-N891 PolarHBondContact O-N 2.94Å; N889-N891 VanDerWaalsContact C-N 3.27Å; N889-N891 PolarHBondContact O-N 3.05Å; N891-L895 WeakPolarHBondContact O-CB 3.27Å; N891-L895 PolarHBondContact O-N 3.05Å |
| 892 | F | 82.2 | Confident | 64.5 | Low | 119 Ų | 119 | 125.6 Ų | 125.6 | 52% | 0.522 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -69.7 | -43.5 | 173.8 | -179.2 | -109.3 | 0 | 0 | 0 | 112.2 | R888 N889 E890 A894 L895 L896 | R888-F892 PolarHBondContact O-N 3.12Å; N889-F892 WeakPolarHBondContact O-CB 3.4Å; N889-F892 PolarHBondContact O-N 3.39Å; N889-F892 VanDerWaalsContact O-N 3.08Å; E890-F892 VanDerWaalsContact C-N 3.32Å; E890-F892 PolarHBondContact O-N 3.14Å; F892-A894 PolarHBondContact O-N 2.85Å; F892-L895 WeakPolarHBondContact O-CB 3.5Å; F892-L895 PolarHBondContact O-N 2.84Å; F892-L895 VanDerWaalsContact O-N 3.15Å; F892-L896 HydrophobicContact CD1-CD1 4.05Å; F892-L896 HydrophobicContact CE1-CD1 3.63Å; F892-L896 HydrophobicContact CE1-CG 4.29Å; F892-L896 HydrophobicContact CZ-CD1 4.03Å; F892-L896 HydrophobicContact CZ-CD2 4.39Å; F892-L896 HydrophobicContact CZ-CG 4.31Å; F892-L896 WeakPolarHBondContact O-CG 3.28Å; F892-L896 PolarHBondContact O-N 2.75Å |
| 893 | M | 85.6 | Confident | 64.9 | Low | 83 Ų | 83 | 125.8 Ų | 125.8 | 41% | 0.409 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -62.8 | -42 | 175.4 | -68.2 | -58.9 | -67.8 | 0 | 0 | 112 | N889 E890 L895 L896 Q897 | N889-M893 WeakPolarHBondContact O-CG 3.41Å; N889-M893 PolarHBondContact O-N 3.06Å; E890-M893 PolarHBondContact O-N 2.93Å; M893-L895 VanDerWaalsContact C-N 3.31Å; M893-L895 PolarHBondContact O-N 3.23Å; M893-L896 PolarHBondContact O-N 3.07Å; M893-L896 HydrophobicContact SD-CD1 4.17Å; M893-Q897 WeakPolarHBondContact O-CB 3.2Å; M893-Q897 WeakPolarHBondContact O-CG 3.37Å; M893-Q897 PolarHBondContact O-N 2.79Å |
| 894 | A | 79.1 | Confident | 65.6 | Low | 49 Ų | 49 | 123.6 Ų | 123.6 | 41% | 0.405 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -62.7 | -37 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | E890 F892 K898 | E890-A894 VanDerWaalsContact O-CB 3.25Å; E890-A894 WeakPolarHBondContact O-CB 3.5Å; E890-A894 PolarHBondContact O-N 2.81Å; F892-A894 PolarHBondContact O-N 2.85Å; A894-K898 WeakPolarHBondContact O-CB 3.47Å; A894-K898 PolarHBondContact O-N 3.03Å |
| 895 | L | 81.4 | Confident | 65.3 | Low | 117 Ų | 117 | 116.8 Ų | 116.8 | 61% | 0.613 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -68 | -35.8 | 175.4 | -171.5 | 67.7 | 0 | 0 | 0 | 112.6 | N891 F892 M893 | N891-L895 WeakPolarHBondContact O-CB 3.27Å; N891-L895 PolarHBondContact O-N 3.05Å; F892-L895 WeakPolarHBondContact O-CB 3.5Å; F892-L895 PolarHBondContact O-N 2.84Å; F892-L895 VanDerWaalsContact O-N 3.15Å; M893-L895 VanDerWaalsContact C-N 3.31Å; M893-L895 PolarHBondContact O-N 3.23Å |
| 896 | L | 80.6 | Confident | 65.7 | Low | 81 Ų | 81 | 116.7 Ų | 116.7 | 42% | 0.424 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -66.5 | -50.2 | 172.6 | -70.3 | 174.9 | 0 | 0 | 0 | 111.3 | F892 M893 K898 K899 | F892-L896 HydrophobicContact CD1-CD1 4.05Å; F892-L896 HydrophobicContact CE1-CD1 3.63Å; F892-L896 HydrophobicContact CE1-CG 4.29Å; F892-L896 HydrophobicContact CZ-CD1 4.03Å; F892-L896 HydrophobicContact CZ-CD2 4.39Å; F892-L896 HydrophobicContact CZ-CG 4.31Å; F892-L896 WeakPolarHBondContact O-CG 3.28Å; F892-L896 PolarHBondContact O-N 2.75Å; M893-L896 PolarHBondContact O-N 3.07Å; M893-L896 HydrophobicContact SD-CD1 4.17Å; L896-K898 VanDerWaalsContact C-N 3.3Å; L896-K898 PolarHBondContact O-N 3.12Å; L896-K899 WeakPolarHBondContact O-CB 3.46Å; L896-K899 PolarHBondContact O-N 3.42Å |
| 897 | Q | 73.6 | Confident | 65.5 | Low | 139 Ų | 139 | 115.4 Ų | 115.4 | 65% | 0.65 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -61.6 | -37.6 | 178.1 | -70.6 | 170.3 | -9.9 | 0 | 0 | 112 | M893 K899 G900 | M893-Q897 WeakPolarHBondContact O-CB 3.2Å; M893-Q897 WeakPolarHBondContact O-CG 3.37Å; M893-Q897 PolarHBondContact O-N 2.79Å; Q897-K899 PolarHBondContact O-N 3.47Å; Q897-G900 PolarHBondContact O-N 3.06Å; Q897-G900 VanDerWaalsContact O-N 3.14Å |
| 898 | K | 67.5 | Low | 65 | Low | 178 Ų | 178 | 118.1 Ų | 118.1 | 77% | 0.774 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -1.3 | 175.4 | -169.1 | 162.4 | -177.7 | 171.9 | 0 | 114.1 | A894 L896 | A894-K898 WeakPolarHBondContact O-CB 3.47Å; A894-K898 PolarHBondContact O-N 3.03Å; L896-K898 VanDerWaalsContact C-N 3.3Å; L896-K898 PolarHBondContact O-N 3.12Å |
| 899 | K | 55.9 | Low | 64.7 | Low | 176 Ų | 176 | 118 Ų | 118 | 77% | 0.765 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | 16.4 | 171.9 | -156.5 | 162.5 | 59.7 | -179.5 | 0 | 113.8 | L896 Q897 | L896-K899 WeakPolarHBondContact O-CB 3.46Å; L896-K899 PolarHBondContact O-N 3.42Å; Q897-K899 PolarHBondContact O-N 3.47Å |
| 900 | G | 57 | Low | 64.1 | Low | 63 Ų | 63 | 116.8 Ų | 116.8 | 65% | 0.649 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | -38.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q897 K902 | Q897-G900 PolarHBondContact O-N 3.06Å; Q897-G900 VanDerWaalsContact O-N 3.14Å; G900-K902 PolarHBondContact O-N 3Å |
| 901 | S | 45.3 | Very low | 63.5 | Low | 103 Ų | 103 | 115.1 Ų | 115.1 | 72% | 0.72 | 67% | 0.673 | S | S | * | * | | | trans | -87.1 | 94.6 | -165.9 | -51.6 | 0 | 0 | 0 | 0 | 114.1 | S903 | S901-S903 VanDerWaalsContact C-N 3.27Å; S901-S903 PolarHBondContact O-N 3.25Å |
| 902 | K | 51.6 | Low | 63 | Low | 213 Ų | 213 | 113.5 Ų | 113.5 | 93% | 0.926 | 67% | 0.674 | S | S | * | * | | | trans | -74.1 | 76.5 | 160.4 | -76.1 | -175.1 | 177.4 | 178.4 | 0 | 110.6 | G900 S904 | G900-K902 PolarHBondContact O-N 3Å; K902-S904 PolarHBondContact O-N 2.78Å; K902-S904 VanDerWaalsContact O-N 3.12Å |
| 903 | S | 44 | Very low | 62.6 | Low | 108 Ų | 108 | 113.8 Ų | 113.8 | 76% | 0.755 | 68% | 0.679 | S | S | * | * | | | trans | -71.3 | 101.4 | 167 | 52 | 0 | 0 | 0 | 0 | 109.7 | S901 S905 | S901-S903 VanDerWaalsContact C-N 3.27Å; S901-S903 PolarHBondContact O-N 3.25Å; S903-S905 PolarHBondContact O-N 3.42Å |
| 904 | S | 51.6 | Low | 61.9 | Low | 128 Ų | 128 | 114.8 Ų | 114.8 | 90% | 0.895 | 68% | 0.683 | S | S | * | * | | | trans | -72.9 | 116.7 | 171.9 | -169.7 | 0 | 0 | 0 | 0 | 109.6 | K902 | K902-S904 PolarHBondContact O-N 2.78Å; K902-S904 VanDerWaalsContact O-N 3.12Å |
| 905 | S | 46.3 | Very low | 61.9 | Low | 112 Ų | 112 | 117 Ų | 117 | 78% | 0.783 | 69% | 0.687 | S | S | * | * | | | trans | -160.8 | 135.1 | 170.3 | -170.6 | 0 | 0 | 0 | 0 | 111 | S903 | S903-S905 PolarHBondContact O-N 3.42Š|
| 906 | G | 51.4 | Low | 61.6 | Low | 87 Ų | 87 | 117.2 Ų | 117.2 | 90% | 0.897 | 69% | 0.688 | S | S | * | * | S | Bend | trans | 36.5 | 81.1 | 159.5 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 907 | G | 47.1 | Very low | 60.9 | Low | 61 Ų | 61 | 120.4 Ų | 120.4 | 63% | 0.629 | 70% | 0.699 | S | S | * | * | | | trans | 173.3 | 90.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R909 | G907-R909 PolarHBondContact O-N 3.3Š|
| 908 | A | 54.9 | Low | 60.2 | Low | 107 Ų | 107 | 116.1 Ų | 116.1 | 88% | 0.884 | 68% | 0.684 | S | S | * | * | | | trans | -65.1 | 98.5 | 170 | 0 | 0 | 0 | 0 | 0 | 109.1 | V910 | A908-V910 PolarHBondContact O-N 3.39Š|
| 909 | R | 60.5 | Low | 60 | Low | 236 Ų | 236 | 112.2 Ų | 112.2 | 89% | 0.891 | 68% | 0.675 | S | S | * | * | | | trans | -81.2 | 104.9 | 172.8 | -58.6 | 179.8 | -163.8 | -176.8 | 4.5 | 106.4 | G907 S911 | G907-R909 PolarHBondContact O-N 3.3Å; R909-S911 PolarHBondContact O-N 3.02Å |
| 910 | V | 63.5 | Low | 60.3 | Low | 84 Ų | 84 | 107.6 Ų | 107.6 | 51% | 0.509 | 66% | 0.659 | S | S | . | * | | | trans | -43.1 | 125.3 | 174.5 | -72.8 | 0 | 0 | 0 | 0 | 109.7 | A908 E914 L915 | A908-V910 PolarHBondContact O-N 3.39Å; V910-E914 VanDerWaalsContact CA-OE2 3.24Å; V910-E914 WeakPolarHBondContact CA-OE2 3.48Å; V910-L915 HydrophobicContact CG2-CD1 4.29Å; V910-L915 HydrophobicContact CG2-CD2 3.86Å; V910-L915 HydrophobicContact CG2-CG 4.05Å |
| 911 | S | 72.5 | Confident | 60.6 | Low | 68 Ų | 68 | 109.2 Ų | 109.2 | 48% | 0.476 | 66% | 0.658 | S | S | . | * | | | trans | -68 | 153 | -167.6 | -171.2 | 0 | 0 | 0 | 0 | 110.2 | R909 M913 E914 L915 | R909-S911 PolarHBondContact O-N 3.02Å; S911-M913 PolarHBondContact O-N 3.44Å; S911-M913 VanDerWaalsContact O-N 3.11Å; S911-E914 PolarHBondContact N-OE2 3.4Å; S911-E914 WeakPolarHBondContact O-CA 3.31Å; S911-E914 WeakPolarHBondContact O-CB 3.46Å; S911-E914 PolarHBondContact O-N 3.04Å; S911-L915 PolarHBondContact O-N 3.06Å; S911-L915 VanDerWaalsContact O-N 3.09Å |
| 912 | A | 70.7 | Confident | 61.2 | Low | 71 Ų | 71 | 109.7 Ų | 109.7 | 59% | 0.587 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -56.7 | -32.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E914 L916 | A912-E914 VanDerWaalsContact C-N 3.31Å; A912-E914 PolarHBondContact O-N 3.22Å; A912-L916 WeakPolarHBondContact O-CB 3.21Å; A912-L916 WeakPolarHBondContact O-CD1 3.24Å; A912-L916 WeakPolarHBondContact O-CG 3.44Å; A912-L916 PolarHBondContact O-N 2.89Å |
| 913 | M | 74.1 | Confident | 61.5 | Low | 125 Ų | 125 | 101.3 Ų | 101.3 | 62% | 0.616 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -66.9 | -28 | 173.6 | -169.9 | 60.4 | 65.5 | 0 | 0 | 113.7 | S911 K917 | S911-M913 PolarHBondContact O-N 3.44Å; S911-M913 VanDerWaalsContact O-N 3.11Å; M913-K917 WeakPolarHBondContact O-CG 3.33Å; M913-K917 PolarHBondContact O-N 3.46Å; M913-K917 VanDerWaalsContact O-N 3.08Å |
| 914 | E | 70.9 | Confident | 62.1 | Low | 104 Ų | 104 | 103 Ų | 103 | 49% | 0.486 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -82.3 | -40 | -176.7 | -164.7 | 176.6 | 178.6 | 0 | 0 | 110.9 | V910 S911 A912 L916 K917 S918 | V910-E914 VanDerWaalsContact CA-OE2 3.24Å; V910-E914 WeakPolarHBondContact CA-OE2 3.48Å; S911-E914 PolarHBondContact N-OE2 3.4Å; S911-E914 WeakPolarHBondContact O-CA 3.31Å; S911-E914 WeakPolarHBondContact O-CB 3.46Å; S911-E914 PolarHBondContact O-N 3.04Å; A912-E914 VanDerWaalsContact C-N 3.31Å; A912-E914 PolarHBondContact O-N 3.22Å; E914-L916 VanDerWaalsContact C-N 3.34Å; E914-K917 PolarHBondContact O-N 3.34Å; E914-S918 PolarHBondContact O-N 2.99Å; E914-S918 PolarHBondContact O-OG 3.09Å |
| 915 | L | 79.3 | Confident | 62.4 | Low | 96 Ų | 96 | 104.5 Ų | 104.5 | 50% | 0.503 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -63 | -39.8 | 166.9 | -66 | 174.2 | 0 | 0 | 0 | 111.5 | V910 S911 K917 S918 T919 | V910-L915 HydrophobicContact CG2-CD1 4.29Å; V910-L915 HydrophobicContact CG2-CD2 3.86Å; V910-L915 HydrophobicContact CG2-CG 4.05Å; S911-L915 PolarHBondContact O-N 3.06Å; S911-L915 VanDerWaalsContact O-N 3.09Å; L915-K917 VanDerWaalsContact C-N 3.3Å; L915-K917 PolarHBondContact O-N 3.31Å; L915-S918 WeakPolarHBondContact CA-OG 3.07Å; L915-S918 PolarHBondContact O-N 3.44Å; L915-S918 PolarHBondContact O-OG 2.84Å; L915-T919 WeakPolarHBondContact O-CB 3.46Å; L915-T919 PolarHBondContact O-N 3.11Å |
| 916 | L | 76.3 | Confident | 62.8 | Low | 122 Ų | 122 | 104 Ų | 104 | 64% | 0.639 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -73.1 | -18.1 | 177 | -73 | 170.4 | 0 | 0 | 0 | 113.9 | A912 E914 | A912-L916 WeakPolarHBondContact O-CB 3.21Å; A912-L916 WeakPolarHBondContact O-CD1 3.24Å; A912-L916 WeakPolarHBondContact O-CG 3.44Å; A912-L916 PolarHBondContact O-N 2.89Å; E914-L916 VanDerWaalsContact C-N 3.34Å |
| 917 | K | 65.6 | Low | 62.8 | Low | 147 Ų | 147 | 104.4 Ų | 104.4 | 64% | 0.639 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -82.7 | -45.1 | 168.8 | -77.5 | 175.7 | 175.2 | -168.4 | 0 | 112 | M913 E914 L915 T919 N920 | M913-K917 WeakPolarHBondContact O-CG 3.33Å; M913-K917 PolarHBondContact O-N 3.46Å; M913-K917 VanDerWaalsContact O-N 3.08Å; E914-K917 PolarHBondContact O-N 3.34Å; L915-K917 VanDerWaalsContact C-N 3.3Å; L915-K917 PolarHBondContact O-N 3.31Å; K917-T919 VanDerWaalsContact C-N 3.31Å; K917-T919 PolarHBondContact O-N 2.79Å; K917-N920 PolarHBondContact O-N 3.2Å |
| 918 | S | 57.2 | Low | 62.9 | Low | 49 Ų | 49 | 106.6 Ų | 106.6 | 34% | 0.343 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -73.6 | -17.5 | -177.6 | 52.2 | 0 | 0 | 0 | 0 | 114.3 | E914 L915 N920 R924 | E914-S918 PolarHBondContact O-N 2.99Å; E914-S918 PolarHBondContact O-OG 3.09Å; L915-S918 WeakPolarHBondContact CA-OG 3.07Å; L915-S918 PolarHBondContact O-N 3.44Å; L915-S918 PolarHBondContact O-OG 2.84Å; S918-N920 VanDerWaalsContact C-N 3.25Å; S918-N920 PolarHBondContact O-N 3.31Å; S918-R924 PolarHBondContact O-NH1 2.85Å |
| 919 | T | 63.6 | Low | 62.6 | Low | 96 Ų | 96 | 108.8 Ų | 108.8 | 59% | 0.589 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -5.3 | 172.5 | -166 | 0 | 0 | 0 | 0 | 114.7 | L915 K917 P921 | L915-T919 WeakPolarHBondContact O-CB 3.46Å; L915-T919 PolarHBondContact O-N 3.11Å; K917-T919 VanDerWaalsContact C-N 3.31Å; K917-T919 PolarHBondContact O-N 2.79Å; T919-P921 WeakPolarHBondContact O-CD 3.5Å |
| 920 | N | 63.1 | Low | 62 | Low | 79 Ų | 79 | 101.7 Ų | 101.7 | 42% | 0.422 | 55% | 0.546 | S | S | . | . | | | trans | -85.1 | 115.4 | 172 | -176.2 | -15.3 | 0 | 0 | 0 | 109.9 | K917 S918 L922 A923 R924 | K917-N920 PolarHBondContact O-N 3.2Å; S918-N920 VanDerWaalsContact C-N 3.25Å; S918-N920 PolarHBondContact O-N 3.31Å; N920-L922 PolarHBondContact O-N 2.97Å; N920-L922 PolarHBondContact OD1-N 3.48Å; N920-A923 HydrophobicContact CB-CB 4.02Å; N920-A923 PolarHBondContact O-N 3.08Å; N920-R924 PolarHBondContact O-N 2.71Å |
| 921 | P | 62.4 | Low | 61.1 | Low | 97 Ų | 97 | 104.3 Ų | 104.3 | 63% | 0.63 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.5 | -20 | -177 | 28 | -35.7 | 0 | 0 | 0 | 113.7 | T919 | T919-P921 WeakPolarHBondContact O-CD 3.5Å |
| 922 | L | 58.6 | Low | 59.5 | Low | 113 Ų | 113 | 104 Ų | 104 | 59% | 0.592 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -78.4 | -26.5 | 172.8 | -70.3 | 168.3 | 0 | 0 | 0 | 112.7 | N920 | N920-L922 PolarHBondContact O-N 2.97Å; N920-L922 PolarHBondContact OD1-N 3.48Å |
| 923 | A | 57.1 | Low | 58.1 | Low | 38 Ų | 38 | 107.8 Ų | 107.8 | 31% | 0.314 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -75.9 | -39.9 | 180 | 0 | 0 | 0 | 0 | 0 | 112.3 | N920 R925 V926 T927 | N920-A923 HydrophobicContact CB-CB 4.02Å; N920-A923 PolarHBondContact O-N 3.08Å; A923-R925 VanDerWaalsContact C-N 3.32Å; A923-R925 PolarHBondContact O-N 3.08Å; A923-V926 PolarHBondContact O-N 3.45Å; A923-T927 PolarHBondContact O-N 3.37Å; A923-T927 PolarHBondContact O-OG1 3.29Å |
| 924 | R | 57.8 | Low | 56.6 | Low | 142 Ų | 142 | 106 Ų | 106 | 54% | 0.536 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -52.7 | -49.3 | 177 | -79.2 | 177 | 133.6 | 120.6 | -14 | 111.9 | S918 N920 V926 T927 E928 | S918-R924 PolarHBondContact O-NH1 2.85Å; N920-R924 PolarHBondContact O-N 2.71Å; R924-V926 PolarHBondContact O-N 3.23Å; R924-T927 PolarHBondContact O-N 3.05Å; R924-T927 VanDerWaalsContact O-N 3.08Å; R924-T927 PolarHBondContact O-OG1 3.07Å; R924-E928 WeakPolarHBondContact O-CG 3.38Å; R924-E928 PolarHBondContact O-N 3.04Å |
| 925 | R | 57.4 | Low | 55 | Low | 161 Ų | 161 | 106.3 Ų | 106.3 | 61% | 0.608 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.2 | -6 | 178.1 | -63 | -158 | -62.1 | 148.1 | 0.3 | 116.1 | A923 E928 F929 | A923-R925 VanDerWaalsContact C-N 3.32Å; A923-R925 PolarHBondContact O-N 3.08Å; R925-E928 WeakPolarHBondContact CA-OE1 3.41Å; R925-F929 WeakPolarHBondContact O-CD2 3.41Å |
| 926 | V | 54 | Low | 53.2 | Low | 100 Ų | 100 | 106.3 Ų | 106.3 | 61% | 0.606 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -100.4 | -39.8 | 170.8 | -178.6 | 0 | 0 | 0 | 0 | 110.4 | A923 R924 | A923-V926 PolarHBondContact O-N 3.45Å; R924-V926 PolarHBondContact O-N 3.23Å |
| 927 | T | 52.5 | Low | 51.5 | Low | 96 Ų | 96 | 103.9 Ų | 103.9 | 59% | 0.589 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -68.2 | -32.4 | 178.6 | 41.6 | 0 | 0 | 0 | 0 | 114.2 | A923 R924 | A923-T927 PolarHBondContact O-N 3.37Å; A923-T927 PolarHBondContact O-OG1 3.29Å; R924-T927 PolarHBondContact O-N 3.05Å; R924-T927 VanDerWaalsContact O-N 3.08Å; R924-T927 PolarHBondContact O-OG1 3.07Å |
| 928 | E | 48.7 | Very low | 49.9 | Very low | 108 Ų | 108 | 106.9 Ų | 106.9 | 51% | 0.505 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -71.4 | -31.8 | -176.5 | 61.9 | -154.7 | -158.6 | 0 | 0 | 113.6 | R924 R925 | R924-E928 WeakPolarHBondContact O-CG 3.38Å; R924-E928 PolarHBondContact O-N 3.04Å; R925-E928 WeakPolarHBondContact CA-OE1 3.41Å |
| 929 | F | 48.6 | Very low | 48.9 | Very low | 152 Ų | 152 | 108.5 Ų | 108.5 | 67% | 0.667 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -82.6 | -29.4 | 176.9 | -69 | -74.3 | 0 | 0 | 0 | 114.3 | R925 N931 | R925-F929 WeakPolarHBondContact O-CD2 3.41Å; F929-N931 VanDerWaalsContact C-N 3.32Å; F929-N931 PolarHBondContact O-N 3.45Å |
| 930 | S | 48.7 | Very low | 47.4 | Very low | 88 Ų | 88 | 107.3 Ų | 107.3 | 62% | 0.615 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -70.9 | -25.6 | 178.5 | -67.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 931 | N | 43.5 | Very low | 45.9 | Very low | 138 Ų | 138 | 113 Ų | 113 | 74% | 0.738 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -11.5 | -174.8 | -120.7 | 75.7 | 0 | 0 | 0 | 114.1 | F929 | F929-N931 VanDerWaalsContact C-N 3.32Å; F929-N931 PolarHBondContact O-N 3.45Å |
| 932 | A | 39.2 | Very low | 44.7 | Very low | 62 Ų | 62 | 114.9 Ų | 114.9 | 51% | 0.512 | 69% | 0.687 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.7 | -28.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | A934 | A932-A934 VanDerWaalsContact C-N 3.31Å; A932-A934 PolarHBondContact O-N 3.37Å |
| 933 | N | 41.3 | Very low | 43.8 | Very low | 151 Ų | 151 | 115 Ų | 115 | 81% | 0.807 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | 8.6 | -175.8 | -82.7 | 18.7 | 0 | 0 | 0 | 114.6 | | |
| 934 | A | 43 | Very low | 42.8 | Very low | 88 Ų | 88 | 119 Ų | 119 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | 0.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A932 | A932-A934 VanDerWaalsContact C-N 3.31Å; A932-A934 PolarHBondContact O-N 3.37Å |
| 935 | S | 36.5 | Very low | 41.6 | Very low | 109 Ų | 109 | 116.7 Ų | 116.7 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -104.7 | -5.1 | -177.3 | 54.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 936 | A | 41.7 | Very low | 40.7 | Very low | 96 Ų | 96 | 113.8 Ų | 113.8 | 79% | 0.793 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -118.8 | 61.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 937 | G | 40.5 | Very low | 39.7 | Very low | 71 Ų | 71 | 115.4 Ų | 115.4 | 73% | 0.732 | 74% | 0.741 | S | S | * | * | | | trans | 176.9 | 46.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 938 | E | 33.1 | Very low | 39.1 | Very low | 210 Ų | 210 | 119.2 Ų | 119.2 | 98% | 0.981 | 75% | 0.75 | S | S | * | * | | | trans | -158.3 | 125.9 | 147.6 | -121.9 | -174 | 123.1 | 0 | 0 | 111.6 | | |
| 939 | G | 34.9 | Very low | 38.5 | Very low | 84 Ų | 84 | 121.2 Ų | 121.2 | 87% | 0.866 | 76% | 0.763 | S | S | * | * | | | trans | -177 | 69.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 940 | G | 33.9 | Very low | 38.1 | Very low | 71 Ų | 71 | 120 Ų | 120 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | | | trans | 101.9 | 102.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 941 | E | 29.9 | Very low | 38 | Very low | 199 Ų | 199 | 122.1 Ų | 122.1 | 93% | 0.93 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 136.6 | 148.3 | -80.6 | -166.8 | 119.7 | 0 | 0 | 109.3 | | |
| 942 | V | 37.6 | Very low | 38 | Very low | 136 Ų | 136 | 128.1 Ų | 128.1 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -95 | 122.1 | 168.2 | 175.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 943 | P | 39.8 | Very low | 37.9 | Very low | 114 Ų | 114 | 131.5 Ų | 131.5 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 138.5 | 171.4 | 29.7 | -33.4 | 0 | 0 | 0 | 110.3 | | |
| 944 | S | 36.4 | Very low | 37.7 | Very low | 122 Ų | 122 | 130.4 Ų | 130.4 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 132.7 | -176.8 | 56.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 945 | A | 32.3 | Very low | 37.4 | Very low | 95 Ų | 95 | 132.8 Ų | 132.8 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | | | trans | -147.2 | 147.7 | 153.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 946 | S | 37.8 | Very low | 37.5 | Very low | 99 Ų | 99 | 134.2 Ų | 134.2 | 69% | 0.692 | 81% | 0.813 | S | S | * | * | | | trans | -68.1 | 165.2 | 158.9 | 63.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 947 | D | 34.8 | Very low | 37.2 | Very low | 134 Ų | 134 | 136.6 Ų | 136.6 | 72% | 0.717 | 81% | 0.814 | S | S | * | * | | | cis | -160 | -169 | 44.6 | -133 | -64.7 | 0 | 0 | 0 | 114.6 | | |
| 948 | K | 38.9 | Very low | 37 | Very low | 176 Ų | 176 | 140.9 Ų | 140.9 | 77% | 0.765 | 82% | 0.82 | S | S | * | * | | | trans | -73.7 | 165.1 | -176.4 | -58.3 | 163.1 | -175.9 | 169.7 | 0 | 113.8 | | |
| 949 | L | 36.3 | Very low | 37.3 | Very low | 151 Ų | 151 | 136 Ų | 136 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | | | trans | 100.1 | 126.9 | 133.9 | -136.5 | 83.3 | 0 | 0 | 0 | 119.3 | | |
| 950 | N | 39.1 | Very low | 37.4 | Very low | 126 Ų | 126 | 140 Ų | 140 | 67% | 0.674 | 80% | 0.804 | S | S | * | * | | | trans | 99.2 | 138.7 | 136.1 | -129.8 | 91 | 0 | 0 | 0 | 120.7 | | |
| 951 | D | 47.5 | Very low | 37.7 | Very low | 133 Ų | 133 | 145.8 Ų | 145.8 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | | | trans | -62.3 | 149 | -178.6 | -37.5 | -81 | 0 | 0 | 0 | 114.1 | | |
| 952 | Q | 42.5 | Very low | 38.5 | Very low | 264 Ų | 264 | 140.9 Ų | 140.9 | 100% | 1.234 | 80% | 0.799 | S | S | * | * | | | | -151.3 | 0 | 101.5 | -153.4 | 153.8 | 118.3 | 0 | 0 | 112.2 | | |