| 1 | M | 38.8 | Very low | 35.5 | Very low | 218 Ų | 218 | 144.8 Ų | 144.8 | 100% | 1.074 | 76% | 0.757 | S | S | * | * | | | | 0 | 78.3 | 0 | -61 | 173.6 | -175.4 | 0 | 0 | 105 | | |
| 2 | D | 31.2 | Very low | 35.5 | Very low | 138 Ų | 138 | 142.5 Ų | 142.5 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | | | cis | 76.8 | 149.4 | 40.5 | -39.3 | -28.6 | 0 | 0 | 0 | 112.1 | | |
| 3 | I | 36.5 | Very low | 35.3 | Very low | 158 Ų | 158 | 138.5 Ų | 138.5 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | | | trans | 74 | 82.1 | -170.7 | -45.8 | 170.7 | 0 | 0 | 0 | 110.9 | | |
| 4 | D | 35.6 | Very low | 35.2 | Very low | 130 Ų | 130 | 141.4 Ų | 141.4 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | | | cis | 83.7 | 143.1 | 47.8 | -60.7 | -62.8 | 0 | 0 | 0 | 115.1 | | |
| 5 | N | 37.6 | Very low | 35.4 | Very low | 135 Ų | 135 | 139 Ų | 139 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | | | trans | 71.5 | 144.6 | 157.5 | -72.7 | 27.8 | 0 | 0 | 0 | 118.4 | | |
| 6 | D | 38.2 | Very low | 35.4 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | | | cis | -161.6 | 174.5 | 5.7 | -132.8 | -31.2 | 0 | 0 | 0 | 116.7 | | |
| 7 | I | 36.4 | Very low | 35.2 | Very low | 125 Ų | 125 | 144.8 Ų | 144.8 | 64% | 0.641 | 77% | 0.766 | S | S | * | * | | | trans | 76.2 | 85.5 | 145.9 | -71.9 | 158.1 | 0 | 0 | 0 | 119.5 | | |
| 8 | N | 33.1 | Very low | 35.2 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 63% | 0.626 | 77% | 0.769 | S | S | * | * | | | | 77.1 | 117.6 | 116.2 | -69.9 | -48.7 | 0 | 0 | 0 | 125.1 | | |
| 9 | Q | 33.1 | Very low | 35.1 | Very low | 166 Ų | 166 | 141.8 Ų | 141.8 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | | 71.4 | 150.9 | 127.6 | -59.9 | 175 | 48.7 | 0 | 0 | 118.6 | | |
| 10 | V | 33.9 | Very low | 35.2 | Very low | 132 Ų | 132 | 143.3 Ų | 143.3 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | | | cis | -132.2 | 151.3 | 20 | 175 | 0 | 0 | 0 | 0 | 112 | | |
| 11 | L | 36.1 | Very low | 34.9 | Very low | 155 Ų | 155 | 143 Ų | 143 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | | | trans | -125.4 | 146.1 | 171.9 | -124.6 | 172.1 | 0 | 0 | 0 | 109.5 | | |
| 12 | P | 36 | Very low | 34.5 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 76% | 0.76 | 74% | 0.744 | S | S | * | * | | | | -153.4 | 175.1 | 113.1 | 37.4 | -20.1 | 0 | 0 | 0 | 114 | | |
| 13 | A | 32.7 | Very low | 34.4 | Very low | 91 Ų | 91 | 136.7 Ų | 136.7 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | | | cis | -167.7 | 158.6 | -30.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 14 | E | 34.4 | Very low | 34.2 | Very low | 179 Ų | 179 | 134.6 Ų | 134.6 | 84% | 0.836 | 74% | 0.743 | S | S | * | * | | | trans | -93.3 | 164.4 | 172.1 | -156.9 | -175.3 | -121.7 | 0 | 0 | 111 | | |
| 15 | P | 37.1 | Very low | 33.9 | Very low | 105 Ų | 105 | 135.3 Ų | 135.3 | 68% | 0.682 | 75% | 0.745 | S | S | * | * | | | | -149.1 | 150.8 | 124.5 | 36.2 | -19.4 | 0 | 0 | 0 | 118.7 | | |
| 16 | D | 35.2 | Very low | 33.5 | Very low | 153 Ų | 153 | 135.7 Ų | 135.7 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | | | trans | 80.8 | 136 | 140.1 | -68.2 | -28.7 | 0 | 0 | 0 | 124.9 | | |
| 17 | R | 32.8 | Very low | 33.1 | Very low | 223 Ų | 223 | 139.2 Ų | 139.2 | 84% | 0.842 | 76% | 0.76 | S | S | * | * | | | trans | -104.2 | 170.4 | 165 | -70.4 | 175.9 | 164.2 | -177.3 | -3.2 | 110 | | |
| 18 | P | 35.4 | Very low | 32.7 | Very low | 127 Ų | 127 | 140.5 Ų | 140.5 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | | | | -142 | 155 | 106.4 | 31.3 | -15 | 0 | 0 | 0 | 117.5 | | |
| 19 | T | 32.5 | Very low | 32.8 | Very low | 106 Ų | 106 | 139.7 Ų | 139.7 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | | | trans | -57.5 | 158.3 | 166.1 | 41.3 | 0 | 0 | 0 | 0 | 116.1 | | |
| 20 | H | 36.9 | Very low | 32.6 | Very low | 172 Ų | 172 | 136.4 Ų | 136.4 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | | | trans | 172.2 | 161.8 | 133.9 | -89.4 | -64.6 | 0 | 0 | 0 | 110.6 | | |
| 21 | I | 29.8 | Very low | 32.3 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 70% | 0.697 | 76% | 0.759 | S | S | * | * | | | | -163.2 | 170.5 | -50.2 | -132 | 177 | 0 | 0 | 0 | 109.7 | | |
| 22 | C | 29.6 | Very low | 32 | Very low | 105 Ų | 105 | 134.4 Ų | 134.4 | 71% | 0.709 | 76% | 0.757 | S | S | * | * | | | trans | 65.4 | 128 | 176.8 | -69 | 0 | 0 | 0 | 0 | 117.4 | | |
| 23 | T | 29.6 | Very low | 31.7 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 73% | 0.73 | 76% | 0.755 | S | S | * | * | | | cis | 90.4 | 112.8 | 31.4 | 69.3 | 0 | 0 | 0 | 0 | 116.6 | | |
| 24 | S | 33 | Very low | 31.4 | Very low | 115 Ų | 115 | 134 Ų | 134 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | | | trans | 169 | 156.6 | 138 | 41.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 25 | I | 28.7 | Very low | 31.3 | Very low | 144 Ų | 144 | 134.3 Ų | 134.3 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | | | cis | -160 | 157.7 | -49.5 | -116 | 158.6 | 0 | 0 | 0 | 107.4 | | |
| 26 | L | 28.5 | Very low | 31.1 | Very low | 143 Ų | 143 | 135.8 Ų | 135.8 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | | | trans | -18.7 | 138.8 | 177.1 | -63.4 | 73.3 | 0 | 0 | 0 | 118.4 | | |
| 27 | Q | 31.2 | Very low | 30.9 | Very low | 194 Ų | 194 | 134.5 Ų | 134.5 | 91% | 0.907 | 76% | 0.755 | S | S | * | * | | | | -168 | 147 | 95.3 | -106.4 | 166 | -5.1 | 0 | 0 | 115.1 | | |
| 28 | N | 27.6 | Very low | 31.2 | Very low | 151 Ų | 151 | 129 Ų | 129 | 81% | 0.807 | 75% | 0.749 | S | S | * | * | | | trans | -121.3 | 172.4 | 171.4 | -143.2 | 2.5 | 0 | 0 | 0 | 105.1 | | |
| 29 | P | 36 | Very low | 30.9 | Very low | 100 Ų | 100 | 132 Ų | 132 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | | | cis | -138.2 | -160.6 | -2.4 | 42.4 | -22.5 | 0 | 0 | 0 | 113.9 | | |
| 30 | S | 28.3 | Very low | 30.9 | Very low | 98 Ų | 98 | 135.7 Ų | 135.7 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | | | trans | 125.5 | 110.8 | 137.8 | 73.2 | 0 | 0 | 0 | 0 | 119 | | |
| 31 | S | 27.9 | Very low | 30.7 | Very low | 100 Ų | 100 | 133.1 Ų | 133.1 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | | | trans | 60.5 | 148.5 | 135.6 | 59.6 | 0 | 0 | 0 | 0 | 124.2 | | |
| 32 | N | 29 | Very low | 30.7 | Very low | 144 Ų | 144 | 137.5 Ų | 137.5 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | | | trans | 84.5 | 79.6 | 153.2 | -62.6 | -10.9 | 0 | 0 | 0 | 120.9 | | |
| 33 | S | 29 | Very low | 30.8 | Very low | 102 Ų | 102 | 138.3 Ų | 138.3 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | | | | 74.6 | 123.8 | 112.4 | 66.7 | 0 | 0 | 0 | 0 | 122.7 | | |
| 34 | S | 27.6 | Very low | 30.8 | Very low | 97 Ų | 97 | 140.5 Ų | 140.5 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | | | trans | 69.7 | 110.5 | 147.2 | 73.1 | 0 | 0 | 0 | 0 | 120 | | |
| 35 | K | 32.3 | Very low | 30.7 | Very low | 186 Ų | 186 | 142.3 Ų | 142.3 | 81% | 0.809 | 77% | 0.77 | S | S | * | * | | | | -176.6 | 104.4 | 115.4 | -95.6 | 147.6 | -169.3 | 162.3 | 0 | 113.9 | | |
| 36 | T | 31.3 | Very low | 30.8 | Very low | 136 Ų | 136 | 140.9 Ų | 140.9 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | | | trans | 45.7 | 96.2 | 136.9 | -28.1 | 0 | 0 | 0 | 0 | 119.2 | | |
| 37 | V | 33.1 | Very low | 30.7 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 137.6 | 163.1 | 178.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 38 | P | 37.7 | Very low | 30.5 | Very low | 109 Ų | 109 | 138.9 Ų | 138.9 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 136.2 | 177.6 | 29.4 | -34.8 | 0 | 0 | 0 | 112.4 | | |
| 39 | F | 29.8 | Very low | 30.5 | Very low | 190 Ų | 190 | 137.5 Ų | 137.5 | 83% | 0.833 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 130.7 | -179 | -91.4 | -113.4 | 0 | 0 | 0 | 113.3 | | |
| 40 | F | 31.5 | Very low | 30.2 | Very low | 182 Ų | 182 | 139 Ų | 139 | 80% | 0.798 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 131.1 | 149.5 | -84.2 | -99.3 | 0 | 0 | 0 | 108.2 | R42 | F40-R42 VanDerWaalsContact C-N 3.34Å; F40-R42 PolarHBondContact O-N 2.87Å |
| 41 | P | 33.7 | Very low | 30.3 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | | | trans | -72.5 | 89.7 | 169.3 | 30.1 | -32.9 | 0 | 0 | 0 | 109.7 | V43 | P41-V43 PolarHBondContact O-N 2.91Š|
| 42 | R | 29.3 | Very low | 30.3 | Very low | 229 Ų | 229 | 141.4 Ų | 141.4 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | | | trans | -69.9 | 104.1 | 158.8 | -79 | -175.9 | 174.9 | 174.2 | -2 | 107.6 | F40 L44 | F40-R42 VanDerWaalsContact C-N 3.34Å; F40-R42 PolarHBondContact O-N 2.87Å; R42-L44 VanDerWaalsContact C-N 3.3Å; R42-L44 PolarHBondContact O-N 3.34Å |
| 43 | V | 31.8 | Very low | 30.3 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 74% | 0.739 | 77% | 0.772 | S | S | * | * | | | trans | -72.6 | 94.2 | 161.3 | 179.3 | 0 | 0 | 0 | 0 | 107.1 | P41 L45 | P41-V43 PolarHBondContact O-N 2.91Å; V43-L45 HydrophobicContact CG1-CB 4.21Å; V43-L45 HydrophobicContact CG1-CD1 4.25Å; V43-L45 HydrophobicContact CG1-CG 4.44Å; V43-L45 PolarHBondContact O-N 2.83Å |
| 44 | L | 29.4 | Very low | 30.2 | Very low | 164 Ų | 164 | 139.4 Ų | 139.4 | 86% | 0.859 | 76% | 0.762 | S | S | * | * | | | trans | -69.5 | 117.8 | 153.2 | -79.5 | 164 | 0 | 0 | 0 | 106.5 | R42 | R42-L44 VanDerWaalsContact C-N 3.3Å; R42-L44 PolarHBondContact O-N 3.34Å |
| 45 | L | 30.2 | Very low | 30.4 | Very low | 153 Ų | 153 | 140.7 Ų | 140.7 | 80% | 0.801 | 76% | 0.76 | S | S | * | * | | | trans | -134.5 | 131.6 | 161.2 | -115.5 | 168.8 | 0 | 0 | 0 | 108.5 | V43 | V43-L45 HydrophobicContact CG1-CB 4.21Å; V43-L45 HydrophobicContact CG1-CD1 4.25Å; V43-L45 HydrophobicContact CG1-CG 4.44Å; V43-L45 PolarHBondContact O-N 2.83Å |
| 46 | S | 30.8 | Very low | 30.3 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | | | trans | -67.8 | 151 | -161.2 | -51 | 0 | 0 | 0 | 0 | 113.5 | Q48 | S46-Q48 PolarHBondContact O-N 3.44Š|
| 47 | V | 26.4 | Very low | 30.2 | Very low | 120 Ų | 120 | 140.2 Ų | 140.2 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | | | trans | -48.7 | 129.3 | 164.4 | 176.2 | 0 | 0 | 0 | 0 | 111 | | |
| 48 | Q | 27.8 | Very low | 30 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | | | trans | -148.8 | 101.4 | 132.4 | -167 | 63.3 | 40.4 | 0 | 0 | 108.9 | S46 | S46-Q48 PolarHBondContact O-N 3.44Š|
| 49 | Q | 28.3 | Very low | 29.6 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 57% | 0.57 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 153.2 | 165.9 | -65.9 | 175.4 | -63.2 | 0 | 0 | 109.6 | L51 | Q49-L51 HydrophobicContact CB-CG 4.29Š|
| 50 | P | 29.2 | Very low | 29.7 | Very low | 133 Ų | 133 | 137.6 Ų | 137.6 | 86% | 0.864 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 116.9 | 132.4 | -13.8 | 30.7 | 0 | 0 | 0 | 109 | | |
| 51 | L | 30.6 | Very low | 29.5 | Very low | 132 Ų | 132 | 134 Ų | 134 | 69% | 0.691 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 159.5 | 168.8 | -78.7 | 166.3 | 0 | 0 | 0 | 110.4 | Q49 | Q49-L51 HydrophobicContact CB-CG 4.29Š|
| 52 | S | 26.7 | Very low | 29.5 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 81% | 0.811 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 124 | -174.2 | -42.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 53 | S | 29.1 | Very low | 29.5 | Very low | 110 Ų | 110 | 127.6 Ų | 127.6 | 77% | 0.769 | 71% | 0.711 | S | S | * | * | | | trans | -160.8 | 133.2 | 152.9 | 43.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 54 | L | 28.5 | Very low | 29.2 | Very low | 94 Ų | 94 | 125.2 Ų | 125.2 | 49% | 0.492 | 71% | 0.705 | S | S | . | * | | | cis | 91.1 | 98.8 | 43.4 | -165 | 79.1 | 0 | 0 | 0 | 112.6 | Y739 | L54-Y739 HydrophobicContact CD1-CE2 4Š|
| 55 | I | 30.2 | Very low | 29.2 | Very low | 124 Ų | 124 | 125.5 Ų | 125.5 | 64% | 0.636 | 71% | 0.706 | S | S | * | * | | | trans | 48.3 | 106.2 | 149.6 | -52.4 | 169.3 | 0 | 0 | 0 | 117.8 | | |
| 56 | N | 31.8 | Very low | 29.1 | Very low | 156 Ų | 156 | 123.7 Ų | 123.7 | 83% | 0.834 | 70% | 0.702 | S | S | * | * | | | | -167.4 | 168.7 | 108.8 | -113.6 | -47.2 | 0 | 0 | 0 | 114.3 | | |
| 57 | Q | 28.3 | Very low | 29.2 | Very low | 156 Ų | 156 | 125.4 Ų | 125.4 | 73% | 0.729 | 71% | 0.708 | S | S | * | * | | | trans | -106.4 | 173.9 | 175.7 | -60.1 | 178.6 | -11.6 | 0 | 0 | 111.8 | | |
| 58 | T | 29 | Very low | 29.3 | Very low | 81 Ų | 81 | 124 Ų | 124 | 50% | 0.497 | 71% | 0.709 | S | S | . | * | | | trans | 88.7 | 91.3 | 144.2 | -53.2 | 0 | 0 | 0 | 0 | 120.6 | I198 | T58-I198 HydrophobicContact CG2-CD1 4.15Š|
| 59 | I | 28.2 | Very low | 29.6 | Very low | 134 Ų | 134 | 121 Ų | 121 | 69% | 0.687 | 71% | 0.707 | S | S | * | * | | | trans | 72.3 | 159.6 | 136.9 | -48.1 | 171.5 | 0 | 0 | 0 | 118.9 | I198 | I59-I198 HydrophobicContact CD1-CD1 4.39Š|
| 60 | I | 32.5 | Very low | 29.8 | Very low | 154 Ų | 154 | 122 Ų | 122 | 79% | 0.79 | 72% | 0.721 | S | S | * | * | | | trans | 97 | 91 | 165 | -48.6 | -176.9 | 0 | 0 | 0 | 117.3 | | |
| 61 | Q | 28.6 | Very low | 30 | Very low | 107 Ų | 107 | 119.3 Ų | 119.3 | 50% | 0.5 | 71% | 0.71 | S | S | . | * | | | trans | -72.8 | 158 | 136.9 | -78.3 | -179.1 | -47 | 0 | 0 | 108.6 | L101 | Q61-L101 HydrophobicContact CB-CD1 4.49Å; Q61-L101 HydrophobicContact CB-CD2 4.13Å |
| 62 | P | 32.1 | Very low | 30.2 | Very low | 81 Ų | 81 | 120.2 Ų | 120.2 | 53% | 0.526 | 72% | 0.716 | S | S | . | * | | | cis | -151.7 | -163.9 | 38 | 38.4 | -14.3 | 0 | 0 | 0 | 117.2 | L101 | P62-L101 HydrophobicContact CB-CD1 3.56Å; P62-L101 HydrophobicContact CB-CD2 4.13Å |
| 63 | T | 29.9 | Very low | 30.5 | Very low | 131 Ų | 131 | 120.6 Ų | 120.6 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | | | trans | 99.2 | 140.7 | 153.9 | -34.2 | 0 | 0 | 0 | 0 | 117.3 | | |
| 64 | A | 26.1 | Very low | 30.7 | Very low | 72 Ų | 72 | 120.2 Ų | 120.2 | 60% | 0.595 | 71% | 0.708 | S | S | * | * | | | trans | -89.4 | 162.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 65 | L | 29.6 | Very low | 30.9 | Very low | 170 Ų | 170 | 123.7 Ų | 123.7 | 89% | 0.89 | 73% | 0.726 | S | S | * | * | | | trans | -113.6 | 116.8 | 171.8 | -114.8 | 170.3 | 0 | 0 | 0 | 111.6 | | |
| 66 | T | 28.2 | Very low | 31.1 | Very low | 116 Ų | 116 | 122.9 Ų | 122.9 | 71% | 0.712 | 73% | 0.729 | S | S | * | * | | | trans | -51.5 | 146.4 | 175.4 | -45.7 | 0 | 0 | 0 | 0 | 113.9 | A68 | T66-A68 HydrophobicContact CG2-CB 4.22Š|
| 67 | T | 32.1 | Very low | 31.3 | Very low | 150 Ų | 150 | 124.1 Ų | 124.1 | 92% | 0.92 | 73% | 0.729 | S | S | * | * | | | trans | -135.4 | 141.5 | 145 | -13.5 | 0 | 0 | 0 | 0 | 107.9 | | |
| 68 | A | 28.6 | Very low | 31.4 | Very low | 90 Ų | 90 | 122.3 Ų | 122.3 | 74% | 0.744 | 73% | 0.728 | S | S | * | * | | | trans | -127.9 | 144.8 | -155.4 | 0 | 0 | 0 | 0 | 0 | 115 | T66 | T66-A68 HydrophobicContact CG2-CB 4.22Š|
| 69 | S | 33 | Very low | 31.4 | Very low | 111 Ų | 111 | 123.6 Ų | 123.6 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | | | trans | -157.9 | 109.3 | 154.6 | 61.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 70 | V | 34 | Very low | 31.4 | Very low | 145 Ų | 145 | 122 Ų | 122 | 88% | 0.879 | 74% | 0.741 | S | S | * | * | | | | 31 | 136.3 | 129.2 | -173.3 | 0 | 0 | 0 | 0 | 119.1 | | |
| 71 | A | 32.9 | Very low | 31.1 | Very low | 76 Ų | 76 | 122.2 Ų | 122.2 | 63% | 0.628 | 74% | 0.743 | S | S | * | * | | | cis | -174.6 | 174.9 | -19.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 72 | N | 34.2 | Very low | 31.1 | Very low | 151 Ų | 151 | 124.9 Ų | 124.9 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | | | trans | 77 | 80.8 | 156.3 | -58.5 | -12.2 | 0 | 0 | 0 | 122.1 | | |
| 73 | T | 32.7 | Very low | 30.8 | Very low | 123 Ų | 123 | 128.1 Ų | 128.1 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | | | | 3.4 | 165.5 | 115.9 | 46.2 | 0 | 0 | 0 | 0 | 121.9 | | |
| 74 | P | 34.8 | Very low | 30.6 | Very low | 102 Ų | 102 | 127.7 Ų | 127.7 | 66% | 0.662 | 77% | 0.768 | S | S | * | * | | | cis | -154.5 | -172.3 | -23.7 | 42.1 | -21.1 | 0 | 0 | 0 | 119.3 | | |
| 75 | L | 31.9 | Very low | 30.6 | Very low | 168 Ų | 168 | 129.1 Ų | 129.1 | 88% | 0.88 | 78% | 0.779 | S | S | * | * | | | trans | 81.5 | 161.1 | 146.8 | -99.2 | 70.6 | 0 | 0 | 0 | 121.5 | | |
| 76 | P | 35.3 | Very low | 30.6 | Very low | 106 Ų | 106 | 127.7 Ų | 127.7 | 69% | 0.688 | 78% | 0.778 | S | S | * | * | | | trans | -131.7 | -174.6 | -153.5 | 47.5 | -35.6 | 0 | 0 | 0 | 116.8 | | |
| 77 | H | 34.9 | Very low | 30.5 | Very low | 182 Ų | 182 | 127.7 Ų | 127.7 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | | | trans | -168.3 | 174.7 | 132.6 | -120.3 | -109.5 | 0 | 0 | 0 | 115.9 | | |
| 78 | V | 30.1 | Very low | 30.2 | Very low | 118 Ų | 118 | 127.4 Ų | 127.4 | 72% | 0.715 | 78% | 0.78 | S | S | * | * | | | trans | -93.8 | 149.9 | -161 | -163 | 0 | 0 | 0 | 0 | 114.8 | | |
| 79 | S | 29.5 | Very low | 30.1 | Very low | 108 Ų | 108 | 127.5 Ų | 127.5 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | | | trans | 135.9 | 134.9 | 131.4 | -59.4 | 0 | 0 | 0 | 0 | 119.4 | | |
| 80 | S | 29.3 | Very low | 29.8 | Very low | 100 Ų | 100 | 127.2 Ų | 127.2 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | | | trans | 72.2 | 103.2 | 138.6 | -166.3 | 0 | 0 | 0 | 0 | 123.9 | | |
| 81 | L | 25.1 | Very low | 29.5 | Very low | 159 Ų | 159 | 126.1 Ų | 126.1 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | | | trans | 51.5 | 114.5 | 130.6 | -61.9 | 169.2 | 0 | 0 | 0 | 121.9 | | |
| 82 | H | 28.6 | Very low | 29.5 | Very low | 163 Ų | 163 | 130.2 Ų | 130.2 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | | 150.4 | 129.6 | 97.1 | -165.3 | -114 | 0 | 0 | 0 | 114.2 | | |
| 83 | M | 25.2 | Very low | 29 | Very low | 150 Ų | 150 | 130.1 Ų | 130.1 | 74% | 0.739 | 78% | 0.779 | S | S | * | * | | | trans | 28.8 | 113.5 | 161.5 | -59.8 | -65.8 | -173.5 | 0 | 0 | 120.9 | | |
| 84 | S | 26.6 | Very low | 28.7 | Very low | 121 Ų | 121 | 127.9 Ų | 127.9 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | | | | -177.9 | 161.6 | 105 | -78 | 0 | 0 | 0 | 0 | 111.4 | | |
| 85 | A | 26.7 | Very low | 28.2 | Very low | 102 Ų | 102 | 128.5 Ų | 128.5 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | | | trans | -88.8 | 132.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 86 | T | 28.8 | Very low | 27.9 | Very low | 140 Ų | 140 | 126.6 Ų | 126.6 | 86% | 0.859 | 76% | 0.761 | S | S | * | * | | | trans | -149.7 | 147.4 | 159.2 | 3.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 87 | S | 25.9 | Very low | 27.4 | Very low | 116 Ų | 116 | 128 Ų | 128 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | | | trans | -87.1 | 121.4 | -177.8 | 53 | 0 | 0 | 0 | 0 | 112.5 | | |
| 88 | V | 25.5 | Very low | 27 | Very low | 144 Ų | 144 | 127.3 Ų | 127.3 | 87% | 0.873 | 75% | 0.753 | S | S | * | * | | | trans | -138.2 | 152.8 | 162.7 | -168.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 89 | S | 26.3 | Very low | 26.8 | Very low | 93 Ų | 93 | 131 Ų | 131 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | | | trans | -91.1 | 178 | -171.2 | 56 | 0 | 0 | 0 | 0 | 114.8 | | |
| 90 | S | 26.5 | Very low | 26.9 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | | | trans | 72.5 | 160.8 | 149.9 | 34.3 | 0 | 0 | 0 | 0 | 118.7 | | |
| 91 | P | 28.1 | Very low | 26.8 | Very low | 121 Ų | 121 | 128.9 Ų | 128.9 | 79% | 0.786 | 74% | 0.736 | S | S | * | * | | | cis | -123.1 | 155.6 | -1.6 | 29.5 | -10.5 | 0 | 0 | 0 | 116.1 | | |
| 92 | I | 32.3 | Very low | 26.8 | Very low | 163 Ų | 163 | 126.9 Ų | 126.9 | 84% | 0.836 | 73% | 0.725 | S | S | * | * | | | trans | -87.8 | 133.7 | 151.8 | -65.7 | 164.2 | 0 | 0 | 0 | 107.2 | | |
| 93 | N | 25.3 | Very low | 26.7 | Very low | 148 Ų | 148 | 126.5 Ų | 126.5 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | | | trans | 179.5 | 159.1 | 157 | -104.7 | -0.9 | 0 | 0 | 0 | 108.6 | | |
| 94 | S | 25.1 | Very low | 26.7 | Very low | 77 Ų | 77 | 123.6 Ų | 123.6 | 54% | 0.538 | 73% | 0.727 | S | S | . | * | | | cis | 175.2 | 141.9 | -28.2 | 49.6 | 0 | 0 | 0 | 0 | 106.1 | | |
| 95 | T | 24.6 | Very low | 26.6 | Very low | 115 Ų | 115 | 122.9 Ų | 122.9 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | | | trans | 39.9 | 112 | 157.9 | 58.7 | 0 | 0 | 0 | 0 | 119.4 | | |
| 96 | N | 25.3 | Very low | 26.6 | Very low | 127 Ų | 127 | 122.9 Ų | 122.9 | 68% | 0.679 | 73% | 0.729 | S | S | * | * | | | | 176.9 | 147.7 | 106 | -91 | -47.9 | 0 | 0 | 0 | 113.6 | | |
| 97 | Q | 25.3 | Very low | 26.6 | Very low | 135 Ų | 135 | 121 Ų | 121 | 63% | 0.631 | 72% | 0.721 | S | S | * | * | | | trans | 23.9 | 127.9 | 132.5 | -45.4 | 168.4 | 38 | 0 | 0 | 116.7 | | |
| 98 | F | 26.2 | Very low | 26.7 | Very low | 169 Ų | 169 | 122.2 Ų | 122.2 | 74% | 0.741 | 72% | 0.724 | S | S | * | * | | | | -165.4 | 153.6 | 59 | -95.3 | -83.2 | 0 | 0 | 0 | 113.7 | | |
| 99 | F | 26.3 | Very low | 26.9 | Very low | 195 Ų | 195 | 122.3 Ų | 122.3 | 86% | 0.855 | 72% | 0.719 | S | S | * | * | | | trans | -71.5 | -178.8 | 154 | -88.1 | -94.8 | 0 | 0 | 0 | 110.3 | | |
| 100 | P | 32.9 | Very low | 27.1 | Very low | 71 Ų | 71 | 123 Ų | 123 | 46% | 0.461 | 72% | 0.721 | S | S | . | * | | | cis | -136.8 | -161.9 | 0.7 | 18.3 | 10.4 | 0 | 0 | 0 | 114.8 | | |
| 101 | L | 26 | Very low | 27.1 | Very low | 92 Ų | 92 | 124.2 Ų | 124.2 | 48% | 0.482 | 73% | 0.726 | S | S | . | * | | | trans | 76 | 157.8 | 159.6 | -66.9 | 114.1 | 0 | 0 | 0 | 119.2 | Q61 P62 | Q61-L101 HydrophobicContact CB-CD1 4.49Å; Q61-L101 HydrophobicContact CB-CD2 4.13Å; P62-L101 HydrophobicContact CB-CD1 3.56Å; P62-L101 HydrophobicContact CB-CD2 4.13Å |
| 102 | I | 25.8 | Very low | 27.1 | Very low | 118 Ų | 118 | 123.5 Ų | 123.5 | 61% | 0.605 | 72% | 0.724 | S | S | * | * | | | cis | -168.6 | 168.4 | -40.5 | -144 | 165.5 | 0 | 0 | 0 | 108.1 | | |
| 103 | L | 26.2 | Very low | 27 | Very low | 154 Ų | 154 | 122 Ų | 122 | 81% | 0.806 | 72% | 0.723 | S | S | * | * | | | trans | 63.7 | 125 | 175.8 | -100.1 | 49.7 | 0 | 0 | 0 | 114.5 | | |
| 104 | A | 24.9 | Very low | 27.1 | Very low | 89 Ų | 89 | 120.1 Ų | 120.1 | 74% | 0.736 | 72% | 0.722 | S | S | * | * | | | cis | 94 | 140.4 | 33 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 105 | A | 24.8 | Very low | 27.4 | Very low | 106 Ų | 106 | 121.8 Ų | 121.8 | 88% | 0.876 | 73% | 0.733 | S | S | * | * | | | trans | 58.2 | 101.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 106 | A | 27.5 | Very low | 27.4 | Very low | 103 Ų | 103 | 120.9 Ų | 120.9 | 85% | 0.851 | 74% | 0.737 | S | S | * | * | | | trans | -142.4 | 128.1 | 141.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 107 | S | 27.9 | Very low | 27.6 | Very low | 100 Ų | 100 | 120.7 Ų | 120.7 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | | | trans | -75 | 143.5 | 172.3 | -175.7 | 0 | 0 | 0 | 0 | 110.2 | L109 | S107-L109 PolarHBondContact O-N 2.91Å; S107-L109 VanDerWaalsContact O-N 3.09Å |
| 108 | T | 27 | Very low | 27.7 | Very low | 141 Ų | 141 | 120.2 Ų | 120.2 | 87% | 0.865 | 75% | 0.75 | S | S | * | * | | | trans | -69.7 | 102 | 168.7 | 48.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 109 | L | 30.3 | Very low | 27.6 | Very low | 147 Ų | 147 | 118.2 Ų | 118.2 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 155.9 | 158.1 | -90.1 | 108.7 | 0 | 0 | 0 | 110.3 | S107 | S107-L109 PolarHBondContact O-N 2.91Å; S107-L109 VanDerWaalsContact O-N 3.09Å |
| 110 | P | 30.9 | Very low | 27.6 | Very low | 107 Ų | 107 | 116.6 Ų | 116.6 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 161.3 | -160.3 | 29.9 | -36.2 | 0 | 0 | 0 | 114.2 | | |
| 111 | P | 27.1 | Very low | 27.2 | Very low | 130 Ų | 130 | 121.1 Ų | 121.1 | 84% | 0.844 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 127.7 | -170.6 | 30.9 | -35.3 | 0 | 0 | 0 | 113.5 | | |
| 112 | S | 28.5 | Very low | 27 | Very low | 106 Ų | 106 | 122.8 Ų | 122.8 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | | | trans | -130.8 | 99.9 | 170.1 | -68.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 113 | T | 28.4 | Very low | 27.1 | Very low | 132 Ų | 132 | 125.9 Ų | 125.9 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | | | trans | 49.7 | 122.9 | 143.1 | 58.8 | 0 | 0 | 0 | 0 | 121.7 | | |
| 114 | S | 27.5 | Very low | 27.1 | Very low | 109 Ų | 109 | 125.1 Ų | 125.1 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | | | trans | 84.8 | 151.6 | 132 | -167.9 | 0 | 0 | 0 | 0 | 120.5 | | |
| 115 | S | 31.4 | Very low | 27.2 | Very low | 112 Ų | 112 | 124.6 Ų | 124.6 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | | | trans | 69.7 | 112.8 | 163.1 | 10 | 0 | 0 | 0 | 0 | 117.2 | | |
| 116 | A | 25.8 | Very low | 27.2 | Very low | 95 Ų | 95 | 125.7 Ų | 125.7 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | | | trans | -98.7 | -162.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 117 | P | 29.1 | Very low | 27.2 | Very low | 123 Ų | 123 | 132.4 Ų | 132.4 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | | | | -118.8 | 152 | -106.1 | 35.4 | -19.9 | 0 | 0 | 0 | 114.8 | | |
| 118 | T | 27.6 | Very low | 27.2 | Very low | 126 Ų | 126 | 132.8 Ų | 132.8 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | | | trans | -139.7 | 126.7 | 169.9 | 39.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 119 | P | 24.6 | Very low | 27.4 | Very low | 126 Ų | 126 | 129 Ų | 129 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | | | trans | -90.5 | 119.9 | 174.1 | 33 | -30 | 0 | 0 | 0 | 111 | | |
| 120 | L | 26.3 | Very low | 27.3 | Very low | 162 Ų | 162 | 127.8 Ų | 127.8 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | | | trans | -128.4 | 90.6 | 175.6 | -76.9 | 176.4 | 0 | 0 | 0 | 113.3 | | |
| 121 | Q | 23.5 | Very low | 27.3 | Very low | 165 Ų | 165 | 127.5 Ų | 127.5 | 77% | 0.771 | 78% | 0.78 | S | S | * | * | | | trans | -21.1 | 142 | 147.2 | 175 | 178.1 | -7.2 | 0 | 0 | 117.8 | | |
| 122 | L | 23 | Very low | 27.2 | Very low | 127 Ų | 127 | 126 Ų | 126 | 67% | 0.665 | 77% | 0.772 | S | S | * | * | | | trans | 65.3 | 122 | 160.9 | -73.4 | 167.5 | 0 | 0 | 0 | 120.2 | L124 | L122-L124 HydrophobicContact CD2-CD1 4.11Š|
| 123 | H | 26.8 | Very low | 27.2 | Very low | 184 Ų | 184 | 127.9 Ų | 127.9 | 85% | 0.852 | 78% | 0.779 | S | S | * | * | | | | -150.2 | 146.5 | 107.8 | -143.9 | -84.8 | 0 | 0 | 0 | 112.6 | | |
| 124 | L | 25.4 | Very low | 27.1 | Very low | 137 Ų | 137 | 125.5 Ų | 125.5 | 72% | 0.717 | 77% | 0.773 | S | S | * | * | | | trans | -83.6 | 144.5 | 167.6 | -93.9 | 59.3 | 0 | 0 | 0 | 109.9 | L122 | L122-L124 HydrophobicContact CD2-CD1 4.11Š|
| 125 | G | 28.3 | Very low | 27.3 | Very low | 78 Ų | 78 | 126.7 Ų | 126.7 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | -146.9 | 82.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 126 | N | 25.1 | Very low | 27 | Very low | 129 Ų | 129 | 126 Ų | 126 | 69% | 0.69 | 78% | 0.779 | S | S | * | * | | | trans | -42.3 | 137.7 | -175.8 | -53.3 | -25.3 | 0 | 0 | 0 | 115.3 | | |
| 127 | Y | 27.4 | Very low | 26.9 | Very low | 244 Ų | 244 | 126.9 Ų | 126.9 | 96% | 0.957 | 78% | 0.78 | S | S | * | * | | | | -133.6 | 128.4 | 127.8 | -107.3 | -81.2 | 0 | 0 | 0 | 109.6 | | |
| 128 | S | 27.6 | Very low | 26.7 | Very low | 108 Ų | 108 | 126.1 Ų | 126.1 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | | | trans | -107 | 156.9 | -166 | -52.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 129 | G | 30.6 | Very low | 26.6 | Very low | 63 Ų | 63 | 128.8 Ų | 128.8 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | | | trans | 124.8 | 86.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 130 | S | 28.5 | Very low | 26.5 | Very low | 120 Ų | 120 | 127.8 Ų | 127.8 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | | | | 62.6 | 128.4 | 71.8 | -54.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 131 | S | 29.9 | Very low | 26.5 | Very low | 101 Ų | 101 | 127.3 Ų | 127.3 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | cis | -166.8 | 119.6 | 2 | 47.4 | 0 | 0 | 0 | 0 | 107.8 | | |
| 132 | S | 27 | Very low | 26.6 | Very low | 99 Ų | 99 | 127.4 Ų | 127.4 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | | | | 94.8 | 129.1 | 86.9 | 73.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 133 | V | 27.1 | Very low | 26.8 | Very low | 145 Ų | 145 | 129.7 Ų | 129.7 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | | | trans | 67.2 | 136.3 | 140.2 | 175.7 | 0 | 0 | 0 | 0 | 117.2 | | |
| 134 | A | 25.8 | Very low | 26.8 | Very low | 83 Ų | 83 | 126.9 Ų | 126.9 | 69% | 0.686 | 77% | 0.771 | S | S | * | * | | | cis | -142 | 163.5 | 7.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 135 | P | 32.1 | Very low | 26.9 | Very low | 133 Ų | 133 | 126.4 Ų | 126.4 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | | | trans | -101.5 | 120.2 | 169.5 | 35.4 | -28.3 | 0 | 0 | 0 | 113.7 | | |
| 136 | A | 24.9 | Very low | 26.7 | Very low | 99 Ų | 99 | 126.2 Ų | 126.2 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | trans | -172.7 | 152.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 137 | S | 24.8 | Very low | 26.9 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | | | cis | -159.3 | -170.2 | -13.4 | 55.8 | 0 | 0 | 0 | 0 | 108.8 | Q139 | S137-Q139 PolarHBondContact O-N 3.39Š|
| 138 | S | 24 | Very low | 26.7 | Very low | 107 Ų | 107 | 120.7 Ų | 120.7 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | | | trans | -48.2 | 123 | -176.6 | -44.9 | 0 | 0 | 0 | 0 | 116.1 | | |
| 139 | Q | 25.6 | Very low | 26.6 | Very low | 181 Ų | 181 | 120.8 Ų | 120.8 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | | | trans | -167 | 153.6 | 140.8 | -111.7 | 146.5 | 101.9 | 0 | 0 | 113.8 | S137 | S137-Q139 PolarHBondContact O-N 3.39Š|
| 140 | S | 22.7 | Very low | 26.2 | Very low | 106 Ų | 106 | 123.9 Ų | 123.9 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | | | trans | -88.9 | 130.6 | 173.1 | 52.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 141 | I | 26.8 | Very low | 26 | Very low | 152 Ų | 152 | 122.6 Ų | 122.6 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | | | trans | -134.5 | 137.4 | 156.7 | -81.1 | 99.9 | 0 | 0 | 0 | 108.8 | | |
| 142 | F | 24.2 | Very low | 25.7 | Very low | 166 Ų | 166 | 122.8 Ų | 122.8 | 73% | 0.728 | 76% | 0.759 | S | S | * | * | | | trans | -77.1 | 150.2 | 172.8 | -82.2 | -119.3 | 0 | 0 | 0 | 111 | H144 | F142-H144 HydrophobicContact CD1-CB 4.24Š|
| 143 | L | 28.9 | Very low | 25.5 | Very low | 175 Ų | 175 | 123.3 Ų | 123.3 | 92% | 0.916 | 76% | 0.762 | S | S | * | * | | | trans | -123 | 110.5 | 143 | -78.8 | 176.6 | 0 | 0 | 0 | 108.4 | | |
| 144 | H | 25.4 | Very low | 25.4 | Very low | 126 Ų | 126 | 123.3 Ų | 123.3 | 58% | 0.583 | 76% | 0.756 | S | S | * | * | | | trans | -115.5 | 116 | -170.4 | -173.2 | -98.6 | 0 | 0 | 0 | 109.3 | F142 S146 | F142-H144 HydrophobicContact CD1-CB 4.24Å; H144-S146 WeakPolarHBondContact ND1-CB 3.29Å; H144-S146 PolarHBondContact ND1-N 2.74Å; H144-S146 PolarHBondContact ND1-OG 3.3Å; H144-S146 PolarHBondContact O-N 3.31Å |
| 145 | P | 29 | Very low | 25.4 | Very low | 127 Ų | 127 | 124.6 Ų | 124.6 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | | | trans | -78.7 | 66.9 | 171.5 | 32.7 | -33.5 | 0 | 0 | 0 | 110.2 | V147 | P145-V147 PolarHBondContact O-N 3.35Š|
| 146 | S | 24 | Very low | 25.1 | Very low | 74 Ų | 74 | 124.9 Ų | 124.9 | 52% | 0.517 | 76% | 0.759 | S | S | . | * | | | trans | -72.2 | 111.9 | 168 | 19.8 | 0 | 0 | 0 | 0 | 109.9 | H144 | H144-S146 WeakPolarHBondContact ND1-CB 3.29Å; H144-S146 PolarHBondContact ND1-N 2.74Å; H144-S146 PolarHBondContact ND1-OG 3.3Å; H144-S146 PolarHBondContact O-N 3.31Å |
| 147 | V | 28.4 | Very low | 25.2 | Very low | 129 Ų | 129 | 125.8 Ų | 125.8 | 78% | 0.782 | 76% | 0.756 | S | S | * | * | | | trans | -123.3 | 76.7 | 165.5 | -170.6 | 0 | 0 | 0 | 0 | 108.9 | P145 | P145-V147 PolarHBondContact O-N 3.35Š|
| 148 | T | 23.5 | Very low | 25.2 | Very low | 128 Ų | 128 | 127.4 Ų | 127.4 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | | | trans | -95.3 | 97.9 | 167.1 | 42.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 149 | T | 25.6 | Very low | 25.6 | Very low | 109 Ų | 109 | 129.2 Ų | 129.2 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | | | trans | -160.6 | 127.5 | 160.6 | 30.3 | 0 | 0 | 0 | 0 | 106.1 | | |
| 150 | T | 23.2 | Very low | 25.6 | Very low | 129 Ų | 129 | 127.1 Ų | 127.1 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | | | cis | 64.4 | 150.8 | 49.3 | 74.4 | 0 | 0 | 0 | 0 | 114.5 | | |
| 151 | A | 24.1 | Very low | 25.9 | Very low | 93 Ų | 93 | 128.9 Ų | 128.9 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | | | trans | 83.3 | 101.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 152 | S | 23.8 | Very low | 25.7 | Very low | 105 Ų | 105 | 127 Ų | 127 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | | | trans | -31.6 | 168.4 | 140.6 | 53.2 | 0 | 0 | 0 | 0 | 118.4 | | |
| 153 | C | 22.7 | Very low | 26.1 | Very low | 110 Ų | 110 | 124.9 Ų | 124.9 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | | | trans | 101.8 | 125.1 | 140 | 91.3 | 0 | 0 | 0 | 0 | 121.5 | | |
| 154 | L | 24.2 | Very low | 26.1 | Very low | 145 Ų | 145 | 122.7 Ų | 122.7 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | | | trans | 74.1 | 98.4 | 143.1 | -63.7 | 166.5 | 0 | 0 | 0 | 123.2 | | |
| 155 | S | 26.1 | Very low | 26.1 | Very low | 109 Ų | 109 | 128 Ų | 128 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | | | | 49.6 | 107.4 | 109.2 | -52.2 | 0 | 0 | 0 | 0 | 122.5 | | |
| 156 | V | 25.3 | Very low | 26.1 | Very low | 140 Ų | 140 | 129.7 Ų | 129.7 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | | | trans | -153.8 | 140.1 | 155.5 | -162 | 0 | 0 | 0 | 0 | 109.9 | | |
| 157 | P | 27.7 | Very low | 26.1 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | | | cis | -126.7 | -176.7 | -37.2 | 40.5 | -24.9 | 0 | 0 | 0 | 113.3 | | |
| 158 | N | 24.9 | Very low | 25.9 | Very low | 147 Ų | 147 | 130.6 Ų | 130.6 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | | | trans | -66.2 | 145.8 | 177.1 | -65.7 | -49.5 | 0 | 0 | 0 | 115.4 | | |
| 159 | V | 31.2 | Very low | 26 | Very low | 145 Ų | 145 | 130 Ų | 130 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | | | trans | -137.1 | 93 | 135.3 | -173.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 160 | L | 26.5 | Very low | 26 | Very low | 136 Ų | 136 | 128.6 Ų | 128.6 | 71% | 0.712 | 79% | 0.792 | S | S | * | * | | | trans | 36.3 | 135 | 150 | -87.2 | 63.9 | 0 | 0 | 0 | 123.8 | | |
| 161 | N | 28.5 | Very low | 26.1 | Very low | 144 Ų | 144 | 129.1 Ų | 129.1 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | | | trans | 82.1 | 83.9 | 137 | -63.7 | 2.4 | 0 | 0 | 0 | 121.8 | | |
| 162 | S | 23.8 | Very low | 26 | Very low | 111 Ų | 111 | 130.9 Ų | 130.9 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | trans | -53.1 | 179.5 | 130.1 | -45.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 163 | P | 31.3 | Very low | 26.1 | Very low | 122 Ų | 122 | 132 Ų | 132 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | | | | -132.9 | 152.5 | -55 | 36.1 | -21.2 | 0 | 0 | 0 | 112.6 | | |
| 164 | S | 29.3 | Very low | 26.1 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | | | trans | -134 | 137.8 | 173.3 | -81.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 165 | R | 25 | Very low | 26.2 | Very low | 238 Ų | 238 | 129.8 Ų | 129.8 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | | | trans | -89.9 | 126.4 | -179.1 | -64.2 | 170.7 | 166.1 | -151.8 | -2.2 | 111.6 | | |
| 166 | L | 28.5 | Very low | 26.1 | Very low | 162 Ų | 162 | 131 Ų | 131 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | | | trans | -167.5 | 103.4 | 154.2 | -94 | 135.9 | 0 | 0 | 0 | 105.3 | | |
| 167 | S | 23.7 | Very low | 26.4 | Very low | 98 Ų | 98 | 129.7 Ų | 129.7 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | | | | 69.5 | 135.9 | 54.2 | -56.5 | 0 | 0 | 0 | 0 | 114.3 | | |
| 168 | T | 25.8 | Very low | 26.3 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | | | trans | 63.2 | 95.8 | 167.7 | 45.2 | 0 | 0 | 0 | 0 | 119.2 | | |
| 169 | S | 24.8 | Very low | 26.3 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | | 56.6 | 124.3 | 126.7 | 62.5 | 0 | 0 | 0 | 0 | 122 | | |
| 170 | G | 25.1 | Very low | 26.2 | Very low | 81 Ų | 81 | 128.4 Ų | 128.4 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | | | | 97.9 | 47.3 | 125.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 171 | V | 25.8 | Very low | 26.1 | Very low | 140 Ų | 140 | 127 Ų | 127 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | | | trans | -122.4 | 141.1 | 167.4 | -176.8 | 0 | 0 | 0 | 0 | 111 | | |
| 172 | T | 23 | Very low | 26 | Very low | 129 Ų | 129 | 127.6 Ų | 127.6 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | | | trans | -93.2 | 136.3 | -179.5 | 50.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 173 | T | 25.3 | Very low | 26.3 | Very low | 128 Ų | 128 | 129 Ų | 129 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | | | trans | -151.4 | 135 | 153.6 | 23.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 174 | A | 22.8 | Very low | 26 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 90% | 0.901 | 79% | 0.794 | S | S | * | * | | | trans | -100.4 | 123.9 | 150.3 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 175 | S | 25.5 | Very low | 25.9 | Very low | 100 Ų | 100 | 132.4 Ų | 132.4 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | | | trans | -153.2 | 95.5 | -171 | 55.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 176 | T | 24.8 | Very low | 25.9 | Very low | 135 Ų | 135 | 127.7 Ų | 127.7 | 83% | 0.828 | 78% | 0.783 | S | S | * | * | | | trans | -80.9 | 178.4 | 146 | 52.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 177 | P | 32 | Very low | 25.7 | Very low | 112 Ų | 112 | 125.2 Ų | 125.2 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | | | | -129 | 163.7 | -62.2 | 38.5 | -24.4 | 0 | 0 | 0 | 112.5 | | |
| 178 | L | 24.7 | Very low | 25.7 | Very low | 171 Ų | 171 | 125.4 Ų | 125.4 | 90% | 0.895 | 78% | 0.779 | S | S | * | * | | | trans | -151.4 | 156.2 | 174.2 | -65 | 174.6 | 0 | 0 | 0 | 108.2 | | |
| 179 | V | 25.6 | Very low | 25.7 | Very low | 129 Ų | 129 | 125.8 Ų | 125.8 | 78% | 0.782 | 78% | 0.781 | S | S | * | * | | | cis | -164.2 | 154.7 | -18.2 | 126.4 | 0 | 0 | 0 | 0 | 104.8 | | |
| 180 | A | 27.3 | Very low | 25.7 | Very low | 84 Ų | 84 | 126 Ų | 126 | 69% | 0.694 | 78% | 0.783 | S | S | * | * | | | cis | -105 | 179.5 | 3.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 181 | S | 24.8 | Very low | 25.7 | Very low | 105 Ų | 105 | 127.8 Ų | 127.8 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | | | cis | 79.3 | 101.7 | 17.6 | -163.5 | 0 | 0 | 0 | 0 | 117.9 | | |
| 182 | L | 26.7 | Very low | 25.6 | Very low | 157 Ų | 157 | 126.9 Ų | 126.9 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | | | trans | -160.9 | 112.9 | 131.2 | -103.2 | 169.5 | 0 | 0 | 0 | 111 | | |
| 183 | I | 29.8 | Very low | 25.6 | Very low | 140 Ų | 140 | 127.2 Ų | 127.2 | 72% | 0.718 | 78% | 0.782 | S | S | * | * | | | trans | 58.5 | 91.8 | 158.1 | -47.6 | 179.5 | 0 | 0 | 0 | 118.3 | K185 | I183-K185 HydrophobicContact CG2-CG 4.49Š|
| 184 | N | 24.9 | Very low | 25.6 | Very low | 132 Ų | 132 | 125.4 Ų | 125.4 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | | | trans | -64.8 | 130 | 147.7 | 165.5 | 13.3 | 0 | 0 | 0 | 110.9 | | |
| 185 | K | 28.1 | Very low | 25.6 | Very low | 193 Ų | 193 | 125.2 Ų | 125.2 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | | | trans | -138.9 | 141.2 | 144.7 | -80.1 | -163.1 | 175.9 | 179.7 | 0 | 111.4 | I183 | I183-K185 HydrophobicContact CG2-CG 4.49Š|
| 186 | N | 25.5 | Very low | 25.5 | Very low | 138 Ų | 138 | 126.8 Ų | 126.8 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | | | trans | -75 | 177.8 | -178 | -68.9 | -31 | 0 | 0 | 0 | 113.8 | | |
| 187 | C | 23.9 | Very low | 25.4 | Very low | 111 Ų | 111 | 125.9 Ų | 125.9 | 75% | 0.75 | 77% | 0.771 | S | S | * | * | | | trans | 94.2 | 89.1 | 154.2 | -59 | 0 | 0 | 0 | 0 | 118.9 | | |
| 188 | S | 23.6 | Very low | 25.1 | Very low | 101 Ų | 101 | 124.3 Ų | 124.3 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | | | | 73 | 158.8 | 117.9 | 67.4 | 0 | 0 | 0 | 0 | 121.8 | | |
| 189 | T | 25.4 | Very low | 25 | Very low | 131 Ų | 131 | 120.9 Ų | 120.9 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | | | trans | 66.2 | 119.3 | 167.3 | 52.7 | 0 | 0 | 0 | 0 | 118.3 | | |
| 190 | S | 24.2 | Very low | 25.2 | Very low | 119 Ų | 119 | 120.8 Ų | 120.8 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | | | trans | -76.5 | 149.9 | 167.6 | -44.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 191 | P | 26.2 | Very low | 25.1 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | | | trans | -105.3 | 136.3 | 150.2 | 33.9 | -26.9 | 0 | 0 | 0 | 111.1 | | |
| 192 | S | 22.9 | Very low | 25.3 | Very low | 122 Ų | 122 | 125 Ų | 125 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | | | trans | -104 | 113.9 | 172.6 | 163.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 193 | V | 24.4 | Very low | 25.5 | Very low | 136 Ų | 136 | 123.7 Ų | 123.7 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | | | trans | -151.6 | 139.2 | 172.8 | -175.7 | 0 | 0 | 0 | 0 | 107.4 | | |
| 194 | A | 23.8 | Very low | 25.3 | Very low | 89 Ų | 89 | 124.1 Ų | 124.1 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | | | cis | -161.7 | 169.5 | -29 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 195 | S | 22.8 | Very low | 25.5 | Very low | 105 Ų | 105 | 126.2 Ų | 126.2 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | | | trans | -74.4 | 140.7 | -174.9 | 55.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 196 | V | 23.9 | Very low | 25.5 | Very low | 133 Ų | 133 | 123.9 Ų | 123.9 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | | | trans | -117.1 | 126.9 | 151.9 | 177.9 | 0 | 0 | 0 | 0 | 107.8 | I198 | V196-I198 HydrophobicContact CG1-CG1 4.47Š|
| 197 | V | 23.7 | Very low | 25.5 | Very low | 117 Ų | 117 | 125.8 Ų | 125.8 | 71% | 0.709 | 77% | 0.766 | S | S | * | * | | | trans | -119.4 | 121.9 | -177.9 | 175.4 | 0 | 0 | 0 | 0 | 109 | | |
| 198 | I | 25.6 | Very low | 25.7 | Very low | 78 Ų | 78 | 125.3 Ų | 125.3 | 40% | 0.4 | 76% | 0.761 | S | S | . | * | | | trans | -137.4 | 116.9 | 169.1 | -56.6 | 179.4 | 0 | 0 | 0 | 107.8 | T58 I59 V196 | T58-I198 HydrophobicContact CG2-CD1 4.15Å; I59-I198 HydrophobicContact CD1-CD1 4.39Å; V196-I198 HydrophobicContact CG1-CG1 4.47Å |
| 199 | S | 22.7 | Very low | 25.7 | Very low | 100 Ų | 100 | 126.9 Ų | 126.9 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | | | trans | -108.3 | 133.9 | 178.6 | -58 | 0 | 0 | 0 | 0 | 111 | | |
| 200 | P | 28 | Very low | 25.6 | Very low | 127 Ų | 127 | 127.5 Ų | 127.5 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 137.8 | 155 | 33.1 | -28.2 | 0 | 0 | 0 | 110.1 | | |
| 201 | Q | 25.8 | Very low | 25.5 | Very low | 191 Ų | 191 | 125.8 Ų | 125.8 | 89% | 0.893 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 126.6 | -169.7 | -172.5 | 174.9 | 6.4 | 0 | 0 | 111.3 | | |
| 202 | A | 29.9 | Very low | 25.4 | Very low | 87 Ų | 87 | 127.5 Ų | 127.5 | 72% | 0.719 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 146.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 203 | P | 29.7 | Very low | 25.4 | Very low | 128 Ų | 128 | 133.1 Ų | 133.1 | 83% | 0.831 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 158.8 | -165.3 | 30.9 | -36.2 | 0 | 0 | 0 | 114.6 | | |
| 204 | N | 27 | Very low | 25.3 | Very low | 150 Ų | 150 | 135.3 Ų | 135.3 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 139.8 | 179.5 | -51.6 | -73.2 | 0 | 0 | 0 | 112.7 | | |
| 205 | H | 28.3 | Very low | 25.3 | Very low | 175 Ų | 175 | 135 Ų | 135 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | | | trans | -152.4 | 100.4 | 132.3 | -123 | -82.1 | 0 | 0 | 0 | 113.1 | Q207 | H205-Q207 PolarHBondContact O-N 3.45Š|
| 206 | I | 27.8 | Very low | 25.4 | Very low | 144 Ų | 144 | 135.6 Ų | 135.6 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | | | trans | 21.2 | 97.8 | 145.8 | -50.6 | 170.2 | 0 | 0 | 0 | 115.8 | | |
| 207 | Q | 26.5 | Very low | 25.5 | Very low | 179 Ų | 179 | 138.3 Ų | 138.3 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | | | trans | -94.3 | 124.1 | 163.7 | -162.3 | 177.5 | 36.4 | 0 | 0 | 109.3 | H205 T209 | H205-Q207 PolarHBondContact O-N 3.45Å; Q207-T209 PolarHBondContact O-N 3.07Å |
| 208 | P | 26.7 | Very low | 25.6 | Very low | 101 Ų | 101 | 138.4 Ų | 138.4 | 66% | 0.656 | 76% | 0.762 | S | S | * | * | | | trans | -78.2 | 105.9 | -178.1 | 29.3 | -33.3 | 0 | 0 | 0 | 111.5 | L210 | P208-L210 VanDerWaalsContact C-N 3.25Å; P208-L210 PolarHBondContact O-N 3.34Å |
| 209 | T | 23.5 | Very low | 25.6 | Very low | 133 Ų | 133 | 139.6 Ų | 139.6 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | | | trans | -71.1 | 75.4 | 175.7 | -50.9 | 0 | 0 | 0 | 0 | 111.8 | Q207 A211 | Q207-T209 PolarHBondContact O-N 3.07Å; T209-A211 VanDerWaalsContact C-N 3.34Å; T209-A211 PolarHBondContact O-N 3.49Å |
| 210 | L | 24.2 | Very low | 25.7 | Very low | 144 Ų | 144 | 139.5 Ų | 139.5 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | | | trans | -73.7 | 85.6 | 172.8 | -82.4 | 168.6 | 0 | 0 | 0 | 110.8 | P208 L212 | P208-L210 VanDerWaalsContact C-N 3.25Å; P208-L210 PolarHBondContact O-N 3.34Å; L210-L212 PolarHBondContact O-N 3.32Å |
| 211 | A | 22.9 | Very low | 25.6 | Very low | 84 Ų | 84 | 141.4 Ų | 141.4 | 69% | 0.694 | 77% | 0.77 | S | S | * | * | | | trans | -65.5 | 97.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | T209 R213 | T209-A211 VanDerWaalsContact C-N 3.34Å; T209-A211 PolarHBondContact O-N 3.49Å; A211-R213 VanDerWaalsContact C-N 3.33Å; A211-R213 PolarHBondContact O-N 3.37Å |
| 212 | L | 22.8 | Very low | 25.6 | Very low | 154 Ų | 154 | 137.8 Ų | 137.8 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | | | trans | -64.8 | 88.2 | 173 | -72.9 | 174.3 | 0 | 0 | 0 | 110.8 | L210 F214 | L210-L212 PolarHBondContact O-N 3.32Å; L212-F214 PolarHBondContact O-N 3.5Å |
| 213 | R | 22.5 | Very low | 25.3 | Very low | 240 Ų | 240 | 138.3 Ų | 138.3 | 91% | 0.906 | 76% | 0.763 | S | S | * | * | | | trans | -62.7 | 103.8 | 164.1 | -83.8 | -171.9 | 173.9 | 179.3 | 0.3 | 109.1 | A211 A215 | A211-R213 VanDerWaalsContact C-N 3.33Å; A211-R213 PolarHBondContact O-N 3.37Å; R213-A215 PolarHBondContact O-N 3.3Å |
| 214 | F | 24 | Very low | 25 | Very low | 183 Ų | 183 | 137.1 Ų | 137.1 | 80% | 0.803 | 76% | 0.757 | S | S | * | * | | | trans | -56.8 | 122.6 | 159.5 | -76.3 | -86.6 | 0 | 0 | 0 | 108.8 | L212 T216 | L212-F214 PolarHBondContact O-N 3.5Å; F214-T216 PolarHBondContact O-N 3.24Å |
| 215 | A | 22.9 | Very low | 24.8 | Very low | 81 Ų | 81 | 137.9 Ų | 137.9 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | | | trans | -74.5 | 74 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | R213 H217 | R213-A215 PolarHBondContact O-N 3.3Å; A215-H217 PolarHBondContact O-N 2.88Å |
| 216 | T | 25.5 | Very low | 24.6 | Very low | 118 Ų | 118 | 135 Ų | 135 | 72% | 0.724 | 75% | 0.752 | S | S | * | * | | | trans | -64.4 | 122.6 | 165 | 43.7 | 0 | 0 | 0 | 0 | 108.7 | F214 T218 | F214-T216 PolarHBondContact O-N 3.24Å; T216-T218 PolarHBondContact O-N 2.93Å |
| 217 | H | 26 | Very low | 24.4 | Very low | 190 Ų | 190 | 132.4 Ų | 132.4 | 88% | 0.88 | 74% | 0.744 | S | S | * | * | | | trans | -65.7 | 121.1 | 177 | -79 | -84.6 | 0 | 0 | 0 | 110.1 | A215 S219 | A215-H217 PolarHBondContact O-N 2.88Å; H217-S219 PolarHBondContact O-N 3.41Å |
| 218 | T | 26 | Very low | 24.3 | Very low | 120 Ų | 120 | 129.3 Ų | 129.3 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | | | trans | -78.3 | 100.1 | 179.4 | 48.5 | 0 | 0 | 0 | 0 | 111.6 | T216 | T216-T218 PolarHBondContact O-N 2.93Š|
| 219 | S | 25.9 | Very low | 24.3 | Very low | 102 Ų | 102 | 128.3 Ų | 128.3 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | | | trans | -162.6 | 81.8 | 145.6 | -167.1 | 0 | 0 | 0 | 0 | 108.2 | H217 | H217-S219 PolarHBondContact O-N 3.41Š|
| 220 | T | 24.8 | Very low | 24.4 | Very low | 98 Ų | 98 | 127.7 Ų | 127.7 | 60% | 0.601 | 73% | 0.734 | S | S | * | * | | | | 63.4 | 80.7 | 67.6 | 75.1 | 0 | 0 | 0 | 0 | 115.5 | | |
| 221 | Q | 25.9 | Very low | 24.5 | Very low | 168 Ų | 168 | 126.6 Ų | 126.6 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | | | trans | -166.5 | 123.4 | 132.7 | -103.5 | 171.4 | 5 | 0 | 0 | 107.3 | | |
| 222 | C | 24.6 | Very low | 24.8 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 78% | 0.777 | 74% | 0.737 | S | S | * | * | | | | 73 | 135.5 | 89.5 | -67.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 223 | S | 24.8 | Very low | 25 | Very low | 98 Ų | 98 | 127 Ų | 127 | 69% | 0.685 | 73% | 0.732 | S | S | * | * | | | cis | -159.7 | 151.9 | -9.4 | -88.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 224 | S | 22.4 | Very low | 25.3 | Very low | 102 Ų | 102 | 121 Ų | 121 | 71% | 0.713 | 73% | 0.727 | S | S | * | * | | | trans | 27.4 | 137.7 | 147.9 | 64.1 | 0 | 0 | 0 | 0 | 123.7 | | |
| 225 | M | 23 | Very low | 25.5 | Very low | 167 Ų | 167 | 116.3 Ų | 116.3 | 82% | 0.823 | 72% | 0.722 | S | S | * | * | | | trans | 93.1 | 118 | 139.2 | -78.4 | 172.7 | 75.3 | 0 | 0 | 122.6 | | |
| 226 | V | 24.6 | Very low | 25.6 | Very low | 113 Ų | 113 | 118.2 Ų | 118.2 | 69% | 0.685 | 73% | 0.729 | S | S | * | * | | | trans | 71.7 | 105 | 139.8 | -175.1 | 0 | 0 | 0 | 0 | 119.5 | T228 | V226-T228 HydrophobicContact CG1-CG2 4.1Š|
| 227 | T | 23.3 | Very low | 25.8 | Very low | 91 Ų | 91 | 118 Ų | 118 | 56% | 0.558 | 73% | 0.73 | S | S | * | * | | | trans | -99.1 | 140.5 | 157.3 | 47.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 228 | T | 25.1 | Very low | 25.8 | Very low | 114 Ų | 114 | 115.5 Ų | 115.5 | 70% | 0.699 | 72% | 0.722 | S | S | * | * | | | trans | -143.4 | 160.1 | 173.7 | 44.5 | 0 | 0 | 0 | 0 | 112.2 | V226 | V226-T228 HydrophobicContact CG1-CG2 4.1Š|
| 229 | A | 25.6 | Very low | 25.6 | Very low | 79 Ų | 79 | 116.4 Ų | 116.4 | 65% | 0.653 | 73% | 0.727 | S | S | * | * | | | trans | 63 | 112 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 230 | T | 25.7 | Very low | 25.6 | Very low | 121 Ų | 121 | 120 Ų | 120 | 74% | 0.742 | 73% | 0.73 | S | S | * | * | | | | 66.6 | 130.4 | 53.9 | 74.6 | 0 | 0 | 0 | 0 | 115.7 | | |
| 231 | V | 27.4 | Very low | 25.5 | Very low | 121 Ų | 121 | 123.8 Ų | 123.8 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | | | | -178.7 | 115.2 | 129.7 | 145.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 232 | N | 27.3 | Very low | 25.5 | Very low | 145 Ų | 145 | 122.4 Ų | 122.4 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | | | trans | 53.8 | 157.9 | 144.3 | -50.9 | -11.1 | 0 | 0 | 0 | 120.7 | | |
| 233 | S | 28.1 | Very low | 25.6 | Very low | 101 Ų | 101 | 121.9 Ų | 121.9 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | | | cis | -149.2 | 144.6 | 20.1 | -49.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 234 | S | 27.8 | Very low | 25.5 | Very low | 114 Ų | 114 | 124 Ų | 124 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | | | trans | 50 | 138.4 | 141.5 | 58.7 | 0 | 0 | 0 | 0 | 121.4 | | |
| 235 | A | 28.4 | Very low | 25.7 | Very low | 85 Ų | 85 | 125 Ų | 125 | 70% | 0.702 | 75% | 0.75 | S | S | * | * | | | cis | -155.2 | 144.9 | -0.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 236 | C | 25.7 | Very low | 25.8 | Very low | 120 Ų | 120 | 124.5 Ų | 124.5 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | | | | 71.6 | 142.9 | 52.1 | -60.8 | 0 | 0 | 0 | 0 | 114 | | |
| 237 | P | 29.5 | Very low | 26 | Very low | 115 Ų | 115 | 125.4 Ų | 125.4 | 75% | 0.747 | 76% | 0.756 | S | S | * | * | | | cis | -140.9 | -152 | -15.9 | 33.9 | -9.4 | 0 | 0 | 0 | 113.5 | | |
| 238 | L | 25.2 | Very low | 26.2 | Very low | 137 Ų | 137 | 126.4 Ų | 126.4 | 72% | 0.717 | 76% | 0.763 | S | S | * | * | | | trans | 86.6 | 87.9 | 165.2 | -62.4 | 167.7 | 0 | 0 | 0 | 118.6 | F240 | L238-F240 HydrophobicContact CD2-CE2 4.19Š|
| 239 | V | 23.5 | Very low | 26.3 | Very low | 138 Ų | 138 | 128.4 Ų | 128.4 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | | | trans | -81.8 | 142.7 | 143.4 | 173.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 240 | F | 24.7 | Very low | 26.6 | Very low | 179 Ų | 179 | 129.4 Ų | 129.4 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | | | trans | -111.7 | 142.6 | 163.1 | -95.7 | -83.8 | 0 | 0 | 0 | 110.2 | L238 | L238-F240 HydrophobicContact CD2-CE2 4.19Š|
| 241 | E | 24.1 | Very low | 26.6 | Very low | 177 Ų | 177 | 131 Ų | 131 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | | | trans | -77.8 | 144.9 | 177 | -59.2 | 168.7 | 116.7 | 0 | 0 | 111 | | |
| 242 | T | 24.2 | Very low | 26.8 | Very low | 138 Ų | 138 | 134.1 Ų | 134.1 | 85% | 0.847 | 78% | 0.777 | S | S | * | * | | | trans | -119.2 | 94 | 156.9 | 46.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 243 | P | 26.5 | Very low | 26.7 | Very low | 104 Ų | 104 | 132.1 Ų | 132.1 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | | | trans | -69.1 | 139.1 | 174.4 | 28.7 | -33.8 | 0 | 0 | 0 | 110.5 | T245 | P243-T245 PolarHBondContact O-N 3.05Š|
| 244 | T | 22.7 | Very low | 26.8 | Very low | 142 Ų | 142 | 136.6 Ų | 136.6 | 87% | 0.871 | 79% | 0.785 | S | S | * | * | | | trans | -76.8 | 102.3 | 173.6 | 49 | 0 | 0 | 0 | 0 | 110.9 | | |
| 245 | T | 27.6 | Very low | 26.6 | Very low | 125 Ų | 125 | 140.8 Ų | 140.8 | 77% | 0.767 | 78% | 0.783 | S | S | * | * | | | trans | -148.9 | 146.6 | 166.8 | 7.1 | 0 | 0 | 0 | 0 | 111.9 | P243 | P243-T245 PolarHBondContact O-N 3.05Š|
| 246 | N | 24.5 | Very low | 26.6 | Very low | 156 Ų | 156 | 142.2 Ų | 142.2 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | | | trans | -75.5 | 153.9 | 178.6 | -53.6 | -61.8 | 0 | 0 | 0 | 111.7 | | |
| 247 | V | 29.1 | Very low | 26.6 | Very low | 132 Ų | 132 | 143.5 Ų | 143.5 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | | | trans | 174.5 | 102.8 | 130.7 | 151 | 0 | 0 | 0 | 0 | 112 | | |
| 248 | T | 28.3 | Very low | 26.5 | Very low | 112 Ų | 112 | 144.2 Ų | 144.2 | 69% | 0.687 | 79% | 0.788 | S | S | * | * | | | | 43.2 | 102.6 | 123.4 | -41.1 | 0 | 0 | 0 | 0 | 122.8 | | |
| 249 | L | 27.5 | Very low | 26.4 | Very low | 156 Ų | 156 | 144.3 Ų | 144.3 | 82% | 0.817 | 79% | 0.794 | S | S | * | * | | | trans | 68.4 | 175.1 | 139.8 | -57.6 | 175.2 | 0 | 0 | 0 | 119 | | |
| 250 | P | 30.9 | Very low | 26.5 | Very low | 99 Ų | 99 | 144.3 Ų | 144.3 | 64% | 0.643 | 79% | 0.794 | S | S | * | * | | | | -138.7 | -172.5 | -73.2 | 43.6 | -26.7 | 0 | 0 | 0 | 115.3 | | |
| 251 | L | 26.1 | Very low | 26.4 | Very low | 156 Ų | 156 | 139.9 Ų | 139.9 | 82% | 0.817 | 79% | 0.791 | S | S | * | * | | | trans | 72.6 | 160.7 | 168.3 | -58 | 158.3 | 0 | 0 | 0 | 115 | | |
| 252 | Q | 30.4 | Very low | 26.5 | Very low | 185 Ų | 185 | 139.8 Ų | 139.8 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | | | cis | -144.1 | 173.1 | 9.3 | -152.3 | 166.5 | 0.3 | 0 | 0 | 112.6 | | |
| 253 | S | 26.5 | Very low | 26.6 | Very low | 103 Ų | 103 | 139.7 Ų | 139.7 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | | | trans | -87.7 | 151 | -171.6 | 178.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 254 | Q | 30.4 | Very low | 26.7 | Very low | 195 Ų | 195 | 142.9 Ų | 142.9 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | | | | -167.9 | 157.6 | 122.4 | -105.6 | -173.5 | 38.3 | 0 | 0 | 114.1 | | |
| 255 | R | 22.9 | Very low | 26.9 | Very low | 202 Ų | 202 | 141 Ų | 141 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | | | trans | -158.7 | 140.4 | 179.5 | 177.2 | -170.5 | 177.4 | -177.2 | 2.5 | 110.7 | H257 | R255-H257 PolarHBondContact NE-NE2 3.13Å; R255-H257 PolarHBondContact NH2-CE1 3.02Å; R255-H257 PolarHBondContact NH2-NE2 3.29Å |
| 256 | S | 28.8 | Very low | 27.1 | Very low | 116 Ų | 116 | 138.1 Ų | 138.1 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | | | trans | -155.3 | 169.4 | 156.9 | 61.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 257 | H | 25.4 | Very low | 27.5 | Very low | 147 Ų | 147 | 133.8 Ų | 133.8 | 68% | 0.681 | 75% | 0.751 | S | S | * | * | | | trans | -118 | 154 | -174.6 | -69.3 | -110.4 | 0 | 0 | 0 | 111.5 | R255 | R255-H257 PolarHBondContact NE-NE2 3.13Å; R255-H257 PolarHBondContact NH2-CE1 3.02Å; R255-H257 PolarHBondContact NH2-NE2 3.29Å |
| 258 | C | 27.8 | Very low | 27.5 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 88% | 0.878 | 75% | 0.751 | S | S | * | * | | | trans | -155 | 157.8 | 152.5 | 45.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 259 | V | 22.2 | Very low | 27.5 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 84% | 0.836 | 76% | 0.756 | S | S | * | * | | | trans | -142.4 | 128.3 | -174.1 | 172.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 260 | T | 26 | Very low | 27.5 | Very low | 138 Ų | 138 | 133.4 Ų | 133.4 | 85% | 0.847 | 76% | 0.76 | S | S | * | * | | | trans | -148.5 | 144.9 | 165.8 | -34.8 | 0 | 0 | 0 | 0 | 110 | | |
| 261 | A | 22.9 | Very low | 27.3 | Very low | 86 Ų | 86 | 134.7 Ų | 134.7 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | | | trans | -120.9 | 168 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 262 | I | 26.8 | Very low | 27.5 | Very low | 176 Ų | 176 | 131 Ų | 131 | 90% | 0.903 | 77% | 0.771 | S | S | * | * | | | trans | -168.5 | 162.5 | 155.8 | -98.1 | 145.5 | 0 | 0 | 0 | 108.3 | | |
| 263 | N | 25.7 | Very low | 27.2 | Very low | 136 Ų | 136 | 127.5 Ų | 127.5 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | trans | -125.8 | 174.4 | -150.2 | -143.5 | 6.1 | 0 | 0 | 0 | 116 | | |
| 264 | F | 28.5 | Very low | 27.4 | Very low | 171 Ų | 171 | 129.7 Ų | 129.7 | 75% | 0.75 | 77% | 0.77 | S | S | * | * | | | trans | -59.9 | 172.7 | -178.1 | -56.1 | -90.4 | 0 | 0 | 0 | 116.5 | | |
| 265 | P | 27.8 | Very low | 27.4 | Very low | 103 Ų | 103 | 126.4 Ų | 126.4 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | | | | -144.7 | -177.2 | 102.2 | 41.7 | -28.3 | 0 | 0 | 0 | 116.7 | | |
| 266 | A | 31.7 | Very low | 27.7 | Very low | 63 Ų | 63 | 124.4 Ų | 124.4 | 52% | 0.521 | 76% | 0.759 | S | S | . | * | | | trans | -145.3 | -146.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108 | G798 T799 | A266-G798 CarbonylContact O-C 3.35Å; A266-T799 CarbonylContact O-C 3.44Å; A266-T799 VanDerWaalsContact O-CA 3.29Å; A266-T799 WeakPolarHBondContact O-CA 3.49Å; A266-T799 PolarHBondContact O-N 2.87Å |
| 267 | P | 31.1 | Very low | 27.5 | Very low | 65 Ų | 65 | 123.1 Ų | 123.1 | 42% | 0.422 | 75% | 0.75 | S | S | . | * | | | cis | -126.9 | -152.8 | -23.2 | 46.8 | -32.7 | 0 | 0 | 0 | 110.2 | L797 | P267-L797 WeakPolarHBondContact CD-O 3.41Å; P267-L797 VanDerWaalsContact CG-O 3.24Å; P267-L797 WeakPolarHBondContact CG-O 2.94Å |
| 268 | T | 30.4 | Very low | 27.6 | Very low | 131 Ų | 131 | 121.6 Ų | 121.6 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | | | | 171.6 | 174.3 | 124.6 | 34.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 269 | S | 26.8 | Very low | 27.8 | Very low | 111 Ų | 111 | 120.7 Ų | 120.7 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | | | trans | -144.3 | 159.2 | -165.4 | 54.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 270 | V | 28.9 | Very low | 28.2 | Very low | 150 Ų | 150 | 121.4 Ų | 121.4 | 91% | 0.909 | 75% | 0.745 | S | S | * | * | | | trans | -148.5 | 151.1 | 160.1 | -129.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 271 | S | 25.7 | Very low | 28.1 | Very low | 127 Ų | 127 | 120.4 Ų | 120.4 | 89% | 0.888 | 74% | 0.743 | S | S | * | * | | | trans | -98.7 | 156.6 | -177.6 | -56.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 272 | G | 30.4 | Very low | 28.4 | Very low | 78 Ų | 78 | 122.2 Ų | 122.2 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | | | trans | -158.3 | 109.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 273 | S | 25.3 | Very low | 28.5 | Very low | 112 Ų | 112 | 120 Ų | 120 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | | | trans | -78 | 166.6 | 154 | 63 | 0 | 0 | 0 | 0 | 109 | | |
| 274 | L | 30.1 | Very low | 28.6 | Very low | 148 Ų | 148 | 118.9 Ų | 118.9 | 78% | 0.775 | 75% | 0.745 | S | S | * | * | | | trans | 178.2 | 137.7 | 134 | -92 | 163.7 | 0 | 0 | 0 | 110.2 | | |
| 275 | L | 31 | Very low | 28.5 | Very low | 126 Ų | 126 | 121.3 Ų | 121.3 | 66% | 0.66 | 75% | 0.749 | S | S | * | * | | | trans | 53.9 | 125.6 | 141.5 | -61 | 175.3 | 0 | 0 | 0 | 122.7 | | |
| 276 | M | 28.2 | Very low | 28.3 | Very low | 161 Ų | 161 | 122.1 Ų | 122.1 | 79% | 0.793 | 75% | 0.752 | S | S | * | * | | | | 71.9 | 158.6 | 128.1 | -67 | -174.8 | 167.8 | 0 | 0 | 119.5 | | |
| 277 | S | 25.8 | Very low | 28.1 | Very low | 88 Ų | 88 | 125.1 Ų | 125.1 | 62% | 0.615 | 76% | 0.758 | S | S | * | * | | | cis | -168.2 | 147.3 | -27.1 | -99.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 278 | S | 26.6 | Very low | 28 | Very low | 116 Ų | 116 | 129 Ų | 129 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | | | trans | 63.2 | 166.9 | 162.1 | 75.5 | 0 | 0 | 0 | 0 | 115.6 | | |
| 279 | T | 31.7 | Very low | 27.8 | Very low | 111 Ų | 111 | 130.6 Ų | 130.6 | 68% | 0.681 | 77% | 0.772 | S | S | * | * | | | cis | -132.9 | 143.7 | 7.7 | 48 | 0 | 0 | 0 | 0 | 113.2 | | |
| 280 | L | 30.1 | Very low | 27.9 | Very low | 153 Ų | 153 | 134 Ų | 134 | 80% | 0.801 | 77% | 0.773 | S | S | * | * | | | trans | 42.9 | 105.3 | 137.8 | -55.7 | 167.1 | 0 | 0 | 0 | 118.2 | | |
| 281 | C | 25.7 | Very low | 27.8 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | | 61.7 | 105.5 | 72 | -61.5 | 0 | 0 | 0 | 0 | 116.3 | | |
| 282 | S | 28.7 | Very low | 28.1 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | | | | -156.4 | 130.7 | 122.1 | 8.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 283 | T | 28.8 | Very low | 28 | Very low | 130 Ų | 130 | 136.1 Ų | 136.1 | 80% | 0.798 | 75% | 0.754 | S | S | * | * | | | trans | -121 | 175.1 | 168.8 | 63.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 284 | P | 28 | Very low | 28.2 | Very low | 113 Ų | 113 | 138 Ų | 138 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | | | | -141.8 | 126.7 | 95.8 | 33.6 | -18.4 | 0 | 0 | 0 | 114.2 | V286 | P284-V286 HydrophobicContact CB-CG2 4.33Å; P284-V286 PolarHBondContact O-N 3.3Å |
| 285 | R | 25.4 | Very low | 28.3 | Very low | 221 Ų | 221 | 136 Ų | 136 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | | | trans | -76.6 | 113.8 | 150.3 | -79.8 | -178.1 | 172.6 | 176.2 | -1.5 | 108 | L287 | R285-L287 VanDerWaalsContact C-N 3.35Å; R285-L287 PolarHBondContact O-N 2.94Å |
| 286 | V | 24.5 | Very low | 28.3 | Very low | 120 Ų | 120 | 137 Ų | 137 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | | | trans | -92.8 | 73.6 | 165.9 | -172.6 | 0 | 0 | 0 | 0 | 109.2 | P284 I288 | P284-V286 HydrophobicContact CB-CG2 4.33Å; P284-V286 PolarHBondContact O-N 3.3Å; V286-I288 HydrophobicContact CG1-CD1 4.42Å; V286-I288 HydrophobicContact CG1-CG1 3.85Å; V286-I288 PolarHBondContact O-N 3.44Å |
| 287 | L | 27 | Very low | 28.6 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 66% | 0.66 | 76% | 0.756 | S | S | * | * | | | trans | -80 | 103 | 161.9 | -91 | 169.1 | 0 | 0 | 0 | 107.8 | R285 H289 | R285-L287 VanDerWaalsContact C-N 3.35Å; R285-L287 PolarHBondContact O-N 2.94Å; L287-H289 PolarHBondContact O-N 3.11Å |
| 288 | I | 28.1 | Very low | 29 | Very low | 148 Ų | 148 | 136 Ų | 136 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | | | trans | -74.8 | 77 | 173.1 | -51 | -177.1 | 0 | 0 | 0 | 109 | V286 K290 | V286-I288 HydrophobicContact CG1-CD1 4.42Å; V286-I288 HydrophobicContact CG1-CG1 3.85Å; V286-I288 PolarHBondContact O-N 3.44Å; I288-K290 PolarHBondContact O-N 3.26Å |
| 289 | H | 27.9 | Very low | 29.3 | Very low | 163 Ų | 163 | 135.4 Ų | 135.4 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | | | trans | -68.3 | 105.7 | 159.3 | -98.7 | -105.1 | 0 | 0 | 0 | 108 | L287 S291 | L287-H289 PolarHBondContact O-N 3.11Å; H289-S291 PolarHBondContact O-N 3.25Å |
| 290 | K | 28.1 | Very low | 29.2 | Very low | 182 Ų | 182 | 137.2 Ų | 137.2 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | | | trans | -77.8 | 102.1 | 174.4 | -170.3 | 175.3 | -178.1 | -179.5 | 0 | 109.5 | I288 | I288-K290 PolarHBondContact O-N 3.26Š|
| 291 | S | 27.2 | Very low | 29.5 | Very low | 105 Ų | 105 | 136.1 Ų | 136.1 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | | | trans | -84.6 | 134.4 | 175 | 44.4 | 0 | 0 | 0 | 0 | 112 | H289 | H289-S291 PolarHBondContact O-N 3.25Š|
| 292 | Q | 30.8 | Very low | 29.8 | Very low | 162 Ų | 162 | 137.9 Ų | 137.9 | 76% | 0.757 | 75% | 0.753 | S | S | * | * | | | trans | 168.4 | 125.1 | 167.4 | -100.2 | 162.7 | -1.4 | 0 | 0 | 105.9 | | |
| 293 | N | 29.5 | Very low | 29.7 | Very low | 133 Ų | 133 | 138.2 Ų | 138.2 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | | | cis | -127 | 151.7 | -7.9 | -87.9 | -16.8 | 0 | 0 | 0 | 108.1 | | |
| 294 | L | 29.1 | Very low | 29.9 | Very low | 151 Ų | 151 | 137.7 Ų | 137.7 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | | | | 66.4 | 73.3 | 57.7 | -81.6 | 167.5 | 0 | 0 | 0 | 114.4 | | |
| 295 | S | 33.1 | Very low | 30.1 | Very low | 107 Ų | 107 | 139 Ų | 139 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | | | trans | 176.1 | 73.2 | 150 | 56.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 296 | N | 30.9 | Very low | 30.3 | Very low | 148 Ų | 148 | 135.2 Ų | 135.2 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | | | | 97.7 | 138.4 | 85.5 | -90 | 7 | 0 | 0 | 0 | 112.2 | | |
| 297 | P | 32.7 | Very low | 30.6 | Very low | 113 Ų | 113 | 134.7 Ų | 134.7 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | | | trans | -100.9 | -141.8 | 175.7 | 45.7 | -37.3 | 0 | 0 | 0 | 108 | | |
| 298 | P | 35.1 | Very low | 30.6 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | | | cis | -131 | 164 | -26.6 | 37.6 | -22.1 | 0 | 0 | 0 | 114.8 | | |
| 299 | S | 32.4 | Very low | 30.7 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | trans | -157.8 | 123.7 | 148.7 | 47.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 300 | L | 31 | Very low | 30.7 | Very low | 150 Ų | 150 | 132.5 Ų | 132.5 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | | 61.8 | 127.1 | 77.2 | -58 | 166 | 0 | 0 | 0 | 110.7 | | |
| 301 | I | 34.8 | Very low | 30.8 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 67% | 0.667 | 77% | 0.77 | S | S | * | * | | | cis | -155.9 | 169.6 | 12.3 | -133.7 | 161.4 | 0 | 0 | 0 | 112.4 | | |
| 302 | E | 32.8 | Very low | 30.7 | Very low | 153 Ų | 153 | 130 Ų | 130 | 72% | 0.715 | 77% | 0.768 | S | S | * | * | | | trans | 3.6 | 118.8 | 162 | -69 | 162.8 | 135.9 | 0 | 0 | 119.3 | | |
| 303 | T | 27.3 | Very low | 30.7 | Very low | 131 Ų | 131 | 127.9 Ų | 127.9 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | | | | 75.3 | 149.4 | 81.9 | 52.2 | 0 | 0 | 0 | 0 | 116.5 | | |
| 304 | P | 33.1 | Very low | 30.8 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | | | trans | -109.2 | 160.4 | -148.8 | 40.1 | -34.2 | 0 | 0 | 0 | 115.7 | | |
| 305 | T | 32.2 | Very low | 30.7 | Very low | 140 Ų | 140 | 129.6 Ų | 129.6 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | | | trans | -131.9 | 138.4 | 157.6 | 46.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 306 | T | 27.9 | Very low | 30.5 | Very low | 142 Ų | 142 | 132.7 Ų | 132.7 | 87% | 0.871 | 78% | 0.784 | S | S | * | * | | | trans | -70 | 135.9 | 175.4 | 45.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 307 | S | 32.5 | Very low | 30.4 | Very low | 109 Ų | 109 | 130.1 Ų | 130.1 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | | | trans | -145.6 | 89 | 160 | 58.5 | 0 | 0 | 0 | 0 | 110.4 | T309 | S307-T309 PolarHBondContact O-N 3.2Š|
| 308 | T | 26.1 | Very low | 30.3 | Very low | 135 Ų | 135 | 130.6 Ų | 130.6 | 83% | 0.828 | 78% | 0.779 | S | S | * | * | | | trans | -74.1 | 114.7 | 168.8 | 42.2 | 0 | 0 | 0 | 0 | 110 | | |
| 309 | T | 31.3 | Very low | 29.9 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | | | trans | -119.7 | 91 | 168.3 | -44.8 | 0 | 0 | 0 | 0 | 109.2 | S307 V311 | S307-T309 PolarHBondContact O-N 3.2Å; T309-V311 HydrophobicContact CG2-CG2 4.43Å; T309-V311 PolarHBondContact O-N 3.2Å |
| 310 | T | 26.7 | Very low | 29.8 | Very low | 134 Ų | 134 | 131 Ų | 131 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | | | trans | -73.6 | 104.9 | 169.5 | 45.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 311 | V | 30.4 | Very low | 29.7 | Very low | 133 Ų | 133 | 128.5 Ų | 128.5 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | | | trans | -97.6 | 120.5 | 156.7 | -177.3 | 0 | 0 | 0 | 0 | 107.1 | T309 | T309-V311 HydrophobicContact CG2-CG2 4.43Å; T309-V311 PolarHBondContact O-N 3.2Å |
| 312 | S | 25.4 | Very low | 29.5 | Very low | 100 Ų | 100 | 127.7 Ų | 127.7 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | | | trans | -99.8 | -172.4 | -173.8 | 73.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 313 | P | 31.2 | Very low | 29.4 | Very low | 119 Ų | 119 | 125.6 Ų | 125.6 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | | | | -105.2 | 158.5 | -128.2 | 19.2 | 2.1 | 0 | 0 | 0 | 114 | | |
| 314 | S | 31.5 | Very low | 29.4 | Very low | 125 Ų | 125 | 124.9 Ų | 124.9 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | | | trans | -143.8 | 137.3 | 170.9 | -61.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 315 | K | 26 | Very low | 29.1 | Very low | 195 Ų | 195 | 126 Ų | 126 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | | | trans | -89.9 | 136.2 | 176.8 | -57.8 | 168.4 | -179.7 | 174.2 | 0 | 109.7 | | |
| 316 | M | 29.6 | Very low | 28.9 | Very low | 171 Ų | 171 | 127.3 Ų | 127.3 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | | | trans | -165.5 | 125.2 | 134.2 | -116 | 91.6 | 81.3 | 0 | 0 | 104.7 | | |
| 317 | S | 27.9 | Very low | 29.1 | Very low | 94 Ų | 94 | 125.4 Ų | 125.4 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | | | | 70.2 | 139.3 | 63.3 | -51 | 0 | 0 | 0 | 0 | 113.1 | | |
| 318 | T | 30.9 | Very low | 28.7 | Very low | 124 Ų | 124 | 127.7 Ų | 127.7 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | | | trans | 58.4 | 118.1 | 176.4 | 49.7 | 0 | 0 | 0 | 0 | 114.6 | | |
| 319 | S | 27.3 | Very low | 29 | Very low | 85 Ų | 85 | 127 Ų | 127 | 59% | 0.594 | 77% | 0.766 | S | S | * | * | | | | 59.3 | 130.9 | 63.7 | 88.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 320 | D | 29.3 | Very low | 28.8 | Very low | 140 Ų | 140 | 124.8 Ų | 124.8 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | | | cis | -157 | -171.8 | 36.9 | -90.4 | -66.9 | 0 | 0 | 0 | 114 | | |
| 321 | S | 30.4 | Very low | 29 | Very low | 98 Ų | 98 | 125.9 Ų | 125.9 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | | | trans | 57.8 | 89.6 | 145.2 | 56.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 322 | S | 29.1 | Very low | 29 | Very low | 113 Ų | 113 | 125.5 Ų | 125.5 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | | | | 38.1 | 105.1 | 118.2 | 63.4 | 0 | 0 | 0 | 0 | 121.1 | | |
| 323 | S | 31.2 | Very low | 29.2 | Very low | 109 Ų | 109 | 129 Ų | 129 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | | | trans | -152.4 | 120.8 | 136.5 | 43.1 | 0 | 0 | 0 | 0 | 107.5 | | |
| 324 | T | 28.3 | Very low | 29.3 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | | | | 69.9 | 97 | 61.6 | 66.9 | 0 | 0 | 0 | 0 | 115.4 | | |
| 325 | N | 26.7 | Very low | 29.4 | Very low | 144 Ų | 144 | 129.8 Ų | 129.8 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | | | trans | 73.1 | 149.8 | 156.1 | -55.8 | -43.9 | 0 | 0 | 0 | 119.1 | | |
| 326 | L | 27.9 | Very low | 29.7 | Very low | 167 Ų | 167 | 127.5 Ų | 127.5 | 87% | 0.874 | 73% | 0.73 | S | S | * | * | | | trans | 69.7 | 145.2 | 165.8 | -54.9 | 131.7 | 0 | 0 | 0 | 114.8 | | |
| 327 | S | 31.1 | Very low | 29.7 | Very low | 101 Ų | 101 | 125.4 Ų | 125.4 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | | | cis | -161.7 | 153.8 | -12.6 | 39.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 328 | N | 24.4 | Very low | 29.9 | Very low | 158 Ų | 158 | 126.9 Ų | 126.9 | 85% | 0.845 | 72% | 0.721 | S | S | * | * | | | trans | -62.9 | 146.4 | 167.6 | -74.6 | -23.7 | 0 | 0 | 0 | 111 | | |
| 329 | P | 32.8 | Very low | 29.7 | Very low | 119 Ų | 119 | 126.1 Ų | 126.1 | 77% | 0.773 | 72% | 0.716 | S | S | * | * | | | | -127.7 | 144.2 | 109.3 | 35.9 | -30.2 | 0 | 0 | 0 | 111.6 | | |
| 330 | A | 27 | Very low | 30 | Very low | 77 Ų | 77 | 130.7 Ų | 130.7 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | | | cis | 82.4 | 82.9 | 29.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 331 | I | 31.6 | Very low | 29.7 | Very low | 157 Ų | 157 | 129.1 Ų | 129.1 | 81% | 0.805 | 73% | 0.728 | S | S | * | * | | | trans | -135.2 | 98.2 | 157.6 | -57.3 | -179.4 | 0 | 0 | 0 | 104.6 | | |
| 332 | I | 28.5 | Very low | 29.7 | Very low | 124 Ų | 124 | 129.3 Ų | 129.3 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | | | | 96.4 | 148.9 | 60.5 | -68.5 | 162 | 0 | 0 | 0 | 110.8 | | |
| 333 | F | 30.9 | Very low | 29.8 | Very low | 173 Ų | 173 | 131.8 Ų | 131.8 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | | | trans | 82.8 | 108 | -171.5 | -53.9 | -67.5 | 0 | 0 | 0 | 114.6 | | |
| 334 | H | 32.8 | Very low | 29.5 | Very low | 156 Ų | 156 | 133 Ų | 133 | 72% | 0.722 | 73% | 0.729 | S | S | * | * | | | | 72.3 | 131.3 | 76.6 | -81.8 | -95.5 | 0 | 0 | 0 | 111.5 | | |
| 335 | D | 33.1 | Very low | 29.6 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 57% | 0.567 | 73% | 0.733 | S | S | * | * | | | cis | -158.3 | 173.4 | 4.1 | -140.3 | -22.7 | 0 | 0 | 0 | 113.9 | | |
| 336 | Q | 32.2 | Very low | 29.7 | Very low | 147 Ų | 147 | 135.1 Ų | 135.1 | 69% | 0.687 | 74% | 0.736 | S | S | * | * | | | trans | 15.3 | 152.5 | 138.9 | -81.5 | 172.6 | 84.5 | 0 | 0 | 122.2 | | |
| 337 | I | 31 | Very low | 29.6 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 65% | 0.651 | 73% | 0.733 | S | S | * | * | | | cis | -168.4 | 168.1 | -13.5 | -134.5 | 176.8 | 0 | 0 | 0 | 108.7 | | |
| 338 | N | 30.9 | Very low | 29.5 | Very low | 124 Ų | 124 | 137.9 Ų | 137.9 | 66% | 0.663 | 74% | 0.74 | S | S | * | * | | | trans | 61.4 | 131 | 166.9 | -80.4 | -15.6 | 0 | 0 | 0 | 117.8 | | |
| 339 | T | 28.2 | Very low | 29.5 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 66% | 0.663 | 74% | 0.737 | S | S | * | * | | | cis | 65.5 | 107.1 | 37.7 | 96.9 | 0 | 0 | 0 | 0 | 115.2 | | |
| 340 | Q | 32 | Very low | 29.3 | Very low | 181 Ų | 181 | 138.5 Ų | 138.5 | 85% | 0.846 | 74% | 0.74 | S | S | * | * | | | | 166.6 | 127.3 | 125.4 | -90.1 | 178.2 | 14.4 | 0 | 0 | 112 | | |
| 341 | S | 23.4 | Very low | 29.2 | Very low | 107 Ų | 107 | 139.1 Ų | 139.1 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | | | trans | -81.6 | 156.1 | 148.2 | 66.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 342 | P | 31.4 | Very low | 28.9 | Very low | 103 Ų | 103 | 140.6 Ų | 140.6 | 67% | 0.669 | 73% | 0.734 | S | S | * | * | | | | -159 | -160.7 | 75.3 | 44 | -22.9 | 0 | 0 | 0 | 115.7 | | |
| 343 | Q | 29.7 | Very low | 28.7 | Very low | 165 Ų | 165 | 140.1 Ų | 140.1 | 77% | 0.771 | 74% | 0.737 | S | S | * | * | | | trans | 57.7 | 103.3 | 153.2 | -72.5 | 173.4 | -24.7 | 0 | 0 | 119.2 | | |
| 344 | T | 25.3 | Very low | 28.5 | Very low | 134 Ų | 134 | 136.9 Ų | 136.9 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | | | | 65 | 89.4 | 75.4 | 69.5 | 0 | 0 | 0 | 0 | 117.1 | | |
| 345 | S | 31.3 | Very low | 28.1 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | | | trans | -143.2 | 116.3 | 150.7 | 45.3 | 0 | 0 | 0 | 0 | 107.3 | | |
| 346 | K | 27.6 | Very low | 27.8 | Very low | 193 Ų | 193 | 138.9 Ų | 138.9 | 84% | 0.839 | 75% | 0.753 | S | S | * | * | | | | 82.3 | 124.1 | 73.4 | -82.1 | -176.4 | 178.3 | 175.4 | 0 | 113.4 | | |
| 347 | T | 27 | Very low | 27.4 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 82% | 0.816 | 76% | 0.758 | S | S | * | * | | | trans | 64.8 | 152.4 | 167.7 | 56.5 | 0 | 0 | 0 | 0 | 117 | | |
| 348 | K | 29 | Very low | 27.1 | Very low | 194 Ų | 194 | 135.6 Ų | 135.6 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | | | cis | -144.7 | 165 | -0.3 | -132.6 | 167.6 | -174.9 | 178.5 | 0 | 109.7 | | |
| 349 | L | 24.7 | Very low | 26.8 | Very low | 153 Ų | 153 | 136.1 Ų | 136.1 | 80% | 0.801 | 77% | 0.771 | S | S | * | * | | | trans | -74.6 | 145.2 | -176.7 | -71.7 | 74.3 | 0 | 0 | 0 | 113 | | |
| 350 | V | 27.6 | Very low | 26.6 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | | | | -124.8 | 138.2 | 129.8 | 178.5 | 0 | 0 | 0 | 0 | 106.9 | F352 | V350-F352 HydrophobicContact CG1-CE2 4.35Š|
| 351 | N | 25.8 | Very low | 26.1 | Very low | 89 Ų | 89 | 137.9 Ų | 137.9 | 48% | 0.476 | 77% | 0.771 | S | S | . | * | | | trans | -117 | 128.2 | -170.6 | -178.1 | 30.4 | 0 | 0 | 0 | 111.7 | T353 | N351-T353 VanDerWaalsContact CG-OG1 3.3Å; N351-T353 PolarHBondContact ND2-OG1 2.85Å; N351-T353 VanDerWaalsContact ND2-OG1 3.09Å; N351-T353 PolarHBondContact OD1-N 3.4Å; N351-T353 PolarHBondContact OD1-OG1 2.93Å |
| 352 | F | 24.5 | Very low | 26 | Very low | 189 Ų | 189 | 141.3 Ų | 141.3 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | | | trans | -122.9 | 44.3 | 165.7 | -79 | -67.2 | 0 | 0 | 0 | 112.1 | V350 | V350-F352 HydrophobicContact CG1-CE2 4.35Š|
| 353 | T | 23.9 | Very low | 25.7 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | | | trans | -95.5 | 75.9 | 157 | 52.8 | 0 | 0 | 0 | 0 | 110.2 | N351 | N351-T353 VanDerWaalsContact CG-OG1 3.3Å; N351-T353 PolarHBondContact ND2-OG1 2.85Å; N351-T353 VanDerWaalsContact ND2-OG1 3.09Å; N351-T353 PolarHBondContact OD1-N 3.4Å; N351-T353 PolarHBondContact OD1-OG1 2.93Å |
| 354 | T | 27.2 | Very low | 25.4 | Very low | 104 Ų | 104 | 140.4 Ų | 140.4 | 64% | 0.638 | 78% | 0.779 | S | S | * | * | | | trans | -139.9 | 126.7 | 170.8 | 29.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 355 | P | 24.1 | Very low | 25.3 | Very low | 123 Ų | 123 | 139 Ų | 139 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | | | trans | -81.9 | 126.9 | -179.6 | 31.8 | -32.5 | 0 | 0 | 0 | 110.8 | S357 | P355-S357 PolarHBondContact O-N 3.39Š|
| 356 | L | 27 | Very low | 24.9 | Very low | 182 Ų | 182 | 138 Ų | 138 | 95% | 0.953 | 76% | 0.763 | S | S | * | * | | | trans | -75.9 | 96.1 | 167.7 | -77.6 | 170.7 | 0 | 0 | 0 | 109.4 | | |
| 357 | S | 24.5 | Very low | 24.7 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | | | trans | -69.7 | 167.2 | 172.6 | -167.7 | 0 | 0 | 0 | 0 | 111.8 | P355 T359 | P355-S357 PolarHBondContact O-N 3.39Å; S357-T359 PolarHBondContact O-N 3.33Å |
| 358 | A | 23.6 | Very low | 24.7 | Very low | 93 Ų | 93 | 131.8 Ų | 131.8 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | | | trans | -69.4 | 117.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 359 | T | 23.8 | Very low | 24.4 | Very low | 135 Ų | 135 | 128.7 Ų | 128.7 | 83% | 0.828 | 74% | 0.741 | S | S | * | * | | | trans | -169.1 | 137.7 | 143.9 | 11.4 | 0 | 0 | 0 | 0 | 104.5 | S357 | S357-T359 PolarHBondContact O-N 3.33Š|
| 360 | V | 24.6 | Very low | 24.4 | Very low | 120 Ų | 120 | 127 Ų | 127 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | S | Bend | cis | -148.8 | 158 | 45 | 164.3 | 0 | 0 | 0 | 0 | 110 | | |
| 361 | R | 22.9 | Very low | 24.2 | Very low | 206 Ų | 206 | 124.7 Ų | 124.7 | 78% | 0.777 | 74% | 0.736 | S | S | * | * | | | trans | 64 | 84.9 | 168.7 | -80.2 | 166.2 | -175.3 | -150.3 | 0.3 | 116.9 | I363 | R361-I363 HydrophobicContact CB-CD1 4.2Å; R361-I363 HydrophobicContact CB-CG1 4.08Å; R361-I363 HydrophobicContact CG-CD1 3.92Å; R361-I363 HydrophobicContact CG-CG1 4.09Å; R361-I363 PolarHBondContact O-N 3.34Å |
| 362 | L | 20.6 | Very low | 24.2 | Very low | 178 Ų | 178 | 126.9 Ų | 126.9 | 93% | 0.932 | 75% | 0.753 | S | S | * | * | | | trans | -59.3 | 116.8 | 132.1 | -85.8 | 163 | 0 | 0 | 0 | 108.4 | | |
| 363 | I | 24.9 | Very low | 24.2 | Very low | 114 Ų | 114 | 124.5 Ų | 124.5 | 59% | 0.585 | 75% | 0.754 | S | S | * | * | | | trans | -134.1 | 118.6 | 160.5 | -61.5 | 176.2 | 0 | 0 | 0 | 105.9 | R361 P365 | R361-I363 HydrophobicContact CB-CD1 4.2Å; R361-I363 HydrophobicContact CB-CG1 4.08Å; R361-I363 HydrophobicContact CG-CD1 3.92Å; R361-I363 HydrophobicContact CG-CG1 4.09Å; R361-I363 PolarHBondContact O-N 3.34Å; I363-P365 VanDerWaalsContact O-CD 3.26Å; I363-P365 WeakPolarHBondContact O-CD 3.37Å |
| 364 | T | 24.2 | Very low | 24.2 | Very low | 136 Ų | 136 | 128.3 Ų | 128.3 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | | | trans | -85.6 | 115.6 | 172 | 40.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 365 | P | 23 | Very low | 24.1 | Very low | 103 Ų | 103 | 129.1 Ų | 129.1 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | | | trans | -142.1 | -170.2 | 142.6 | 43.7 | -27.3 | 0 | 0 | 0 | 110.2 | I363 | I363-P365 VanDerWaalsContact O-CD 3.26Å; I363-P365 WeakPolarHBondContact O-CD 3.37Å |
| 366 | P | 23.2 | Very low | 24.2 | Very low | 91 Ų | 91 | 129.1 Ų | 129.1 | 59% | 0.591 | 77% | 0.769 | S | S | * | * | | | | -124.7 | -172.7 | -86 | 37 | -19.3 | 0 | 0 | 0 | 112.8 | | |
| 367 | S | 22.9 | Very low | 23.9 | Very low | 81 Ų | 81 | 125.8 Ų | 125.8 | 57% | 0.566 | 76% | 0.759 | S | S | * | * | | | trans | -75.8 | -174.3 | 168.3 | 51 | 0 | 0 | 0 | 0 | 112.8 | | |
| 368 | T | 25.7 | Very low | 23.8 | Very low | 114 Ų | 114 | 125.2 Ų | 125.2 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | | | trans | 80.5 | 127.8 | -167 | 69.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 369 | V | 24.1 | Very low | 23.7 | Very low | 128 Ų | 128 | 126.9 Ų | 126.9 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | | | cis | 83.9 | 125.1 | 30.6 | -177.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 370 | C | 23.5 | Very low | 23.7 | Very low | 117 Ų | 117 | 124.7 Ų | 124.7 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | | | trans | 58.4 | 112.9 | 178.6 | -67.6 | 0 | 0 | 0 | 0 | 115.9 | | |
| 371 | A | 24.5 | Very low | 23.6 | Very low | 90 Ų | 90 | 125.8 Ų | 125.8 | 74% | 0.744 | 75% | 0.749 | S | S | * | * | | | | 75 | 117.3 | 56.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 372 | T | 25.7 | Very low | 23.8 | Very low | 134 Ų | 134 | 121.2 Ų | 121.2 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | | | | 179.4 | 130.2 | 128.7 | 32.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 373 | T | 24.3 | Very low | 24.1 | Very low | 139 Ų | 139 | 116 Ų | 116 | 85% | 0.853 | 74% | 0.737 | S | S | * | * | | | trans | -150.5 | 94.8 | 131.5 | 26.9 | 0 | 0 | 0 | 0 | 107.6 | | |
| 374 | K | 25.1 | Very low | 24 | Very low | 194 Ų | 194 | 118.1 Ų | 118.1 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | | | trans | -70.4 | 128.1 | 155.8 | -74.1 | -178.2 | 176.4 | 179.5 | 0 | 106.7 | | |
| 375 | S | 25 | Very low | 24.1 | Very low | 121 Ų | 121 | 117.1 Ų | 117.1 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | | | trans | -106.4 | 114.3 | 159.6 | -67 | 0 | 0 | 0 | 0 | 107.2 | | |
| 376 | T | 24.5 | Very low | 24.1 | Very low | 124 Ų | 124 | 116.3 Ų | 116.3 | 76% | 0.761 | 75% | 0.751 | S | S | * | * | | | trans | -89.7 | 137.9 | -172 | -41.1 | 0 | 0 | 0 | 0 | 111 | | |
| 377 | C | 22.1 | Very low | 24.1 | Very low | 111 Ų | 111 | 118.6 Ų | 118.6 | 75% | 0.75 | 76% | 0.763 | S | S | * | * | | | trans | -147.4 | 108 | 156.3 | -151.6 | 0 | 0 | 0 | 0 | 103.9 | | |
| 378 | T | 22.5 | Very low | 24.2 | Very low | 100 Ų | 100 | 120.6 Ų | 120.6 | 61% | 0.613 | 77% | 0.771 | S | S | * | * | | | | 39.2 | 125.7 | 87 | 57.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 379 | V | 21.7 | Very low | 24.1 | Very low | 129 Ų | 129 | 123.2 Ų | 123.2 | 78% | 0.782 | 77% | 0.773 | S | S | * | * | | | cis | -133.7 | 119.9 | 38.8 | -169 | 0 | 0 | 0 | 0 | 108.4 | | |
| 380 | S | 22.4 | Very low | 24.3 | Very low | 88 Ų | 88 | 122.9 Ų | 122.9 | 62% | 0.615 | 77% | 0.774 | S | S | * | * | | | | 47.1 | 114.5 | 95.9 | -41.6 | 0 | 0 | 0 | 0 | 115.7 | | |
| 381 | T | 24 | Very low | 24.4 | Very low | 144 Ų | 144 | 122.4 Ų | 122.4 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | | | trans | -141.4 | 89.1 | 143 | 33.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 382 | S | 26.1 | Very low | 24.6 | Very low | 109 Ų | 109 | 123.8 Ų | 123.8 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | | | | -55.6 | 150.3 | 126.2 | 47.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 383 | G | 27 | Very low | 24.6 | Very low | 68 Ų | 68 | 125.6 Ų | 125.6 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | | | cis | 128.6 | 118.3 | 19.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 384 | N | 23.6 | Very low | 24.8 | Very low | 160 Ų | 160 | 124 Ų | 124 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | | | trans | 10 | 103.6 | 179.2 | -61.7 | 6.6 | 0 | 0 | 0 | 119.5 | | |
| 385 | S | 25.2 | Very low | 24.9 | Very low | 115 Ų | 115 | 123.6 Ų | 123.6 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | -154.9 | 123.5 | 138.7 | -73.2 | 0 | 0 | 0 | 0 | 105.8 | | |
| 386 | A | 22.4 | Very low | 24.9 | Very low | 86 Ų | 86 | 124.5 Ų | 124.5 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | | | cis | 68.5 | 145.5 | 29.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 387 | V | 24.8 | Very low | 25.1 | Very low | 138 Ų | 138 | 121.9 Ų | 121.9 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | | | trans | 69.8 | 118.3 | -161 | -168.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 388 | V | 24.4 | Very low | 25.3 | Very low | 123 Ų | 123 | 121.1 Ų | 121.1 | 75% | 0.745 | 77% | 0.771 | S | S | * | * | | | cis | 121.5 | 129.7 | 11.5 | 165.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 389 | F | 23 | Very low | 25.5 | Very low | 170 Ų | 170 | 124.5 Ų | 124.5 | 75% | 0.746 | 78% | 0.784 | S | S | * | * | | | trans | -7.3 | 150.3 | 163.1 | -67.3 | -85.3 | 0 | 0 | 0 | 121.2 | T391 | F389-T391 HydrophobicContact CB-CG2 4.01Å; F389-T391 HydrophobicContact CD1-CG2 4.22Å; F389-T391 HydrophobicContact CG-CG2 4.34Å |
| 390 | P | 28 | Very low | 25.7 | Very low | 121 Ų | 121 | 123.2 Ų | 123.2 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | | | | -124.3 | 137.5 | 86.4 | 31.8 | -22.4 | 0 | 0 | 0 | 112.8 | | |
| 391 | T | 25.6 | Very low | 25.9 | Very low | 107 Ų | 107 | 125.3 Ų | 125.3 | 66% | 0.656 | 79% | 0.788 | S | S | * | * | | | cis | 80.8 | 96 | 48.3 | 60.4 | 0 | 0 | 0 | 0 | 116.8 | F389 | F389-T391 HydrophobicContact CB-CG2 4.01Å; F389-T391 HydrophobicContact CD1-CG2 4.22Å; F389-T391 HydrophobicContact CG-CG2 4.34Å |
| 392 | S | 30 | Very low | 25.9 | Very low | 119 Ų | 119 | 130.1 Ų | 130.1 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | trans | -166.9 | 74.7 | 152.8 | 57.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 393 | L | 25.6 | Very low | 25.9 | Very low | 171 Ų | 171 | 130 Ų | 130 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | | | | 72.6 | 83.9 | 66.7 | -164.4 | 82.9 | 0 | 0 | 0 | 114.4 | | |
| 394 | S | 28.6 | Very low | 25.7 | Very low | 107 Ų | 107 | 131 Ų | 131 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | | | trans | -153.5 | 114.7 | 147.6 | 57.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 395 | Q | 25.8 | Very low | 25.8 | Very low | 184 Ų | 184 | 131.6 Ų | 131.6 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | | | trans | 26 | 128.3 | 135.4 | -70.4 | 170.4 | -1.8 | 0 | 0 | 118.8 | | |
| 396 | T | 26.4 | Very low | 25.8 | Very low | 140 Ų | 140 | 130.3 Ų | 130.3 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | | | cis | -162.9 | 145.6 | 1.2 | -58.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 397 | G | 27.9 | Very low | 25.9 | Very low | 69 Ų | 69 | 134 Ų | 134 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | | | trans | 133.7 | 105.3 | 160.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 398 | A | 27.4 | Very low | 26 | Very low | 95 Ų | 95 | 134.5 Ų | 134.5 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | | | trans | 39.5 | 82.2 | 146.5 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 399 | L | 26.5 | Very low | 26 | Very low | 171 Ų | 171 | 132 Ų | 132 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | | | trans | 62.9 | 156.8 | 136 | -83.8 | 82.9 | 0 | 0 | 0 | 120.9 | | |
| 400 | P | 26.2 | Very low | 26.2 | Very low | 103 Ų | 103 | 128.8 Ų | 128.8 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | | | trans | -137 | 172.1 | -134.3 | 42 | -24.2 | 0 | 0 | 0 | 119.1 | | |
| 401 | T | 26.5 | Very low | 26.1 | Very low | 131 Ų | 131 | 129.4 Ų | 129.4 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | 65.6 | 96.5 | 147.5 | 44.1 | 0 | 0 | 0 | 0 | 121.3 | | |
| 402 | R | 23.5 | Very low | 26.2 | Very low | 245 Ų | 245 | 136 Ų | 136 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | | | trans | -81.2 | 135.2 | 146 | 161.8 | -172.2 | -179.3 | -136.5 | 7.4 | 109.4 | | |
| 403 | P | 25.2 | Very low | 26.1 | Very low | 106 Ų | 106 | 134.8 Ų | 134.8 | 69% | 0.688 | 80% | 0.796 | S | S | * | * | | | | -153.2 | 147.8 | 123.3 | 38.2 | -20.5 | 0 | 0 | 0 | 118.5 | | |
| 404 | S | 23.8 | Very low | 26.1 | Very low | 91 Ų | 91 | 129.9 Ų | 129.9 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | | | trans | 44.9 | 112 | 143.4 | 64.7 | 0 | 0 | 0 | 0 | 124.8 | | |
| 405 | I | 24.7 | Very low | 26.1 | Very low | 171 Ų | 171 | 132.4 Ų | 132.4 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | | | | 55.5 | 115 | 116.6 | -55.9 | 156.7 | 0 | 0 | 0 | 119.8 | | |
| 406 | A | 25.3 | Very low | 26 | Very low | 89 Ų | 89 | 129.5 Ų | 129.5 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | | | | -169.7 | 143.7 | 118.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 407 | N | 25.3 | Very low | 26 | Very low | 164 Ų | 164 | 129 Ų | 129 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | | | trans | 46.8 | 85.4 | 164.5 | -72.4 | 1.9 | 0 | 0 | 0 | 120 | | |
| 408 | T | 27.3 | Very low | 25.8 | Very low | 148 Ų | 148 | 130.9 Ų | 130.9 | 91% | 0.908 | 78% | 0.784 | S | S | * | * | | | trans | -70.7 | 128.4 | 155.4 | 47.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 409 | G | 24.3 | Very low | 25.9 | Very low | 71 Ų | 71 | 131.8 Ų | 131.8 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | | | trans | -110.4 | 128.1 | 145.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 410 | S | 26.9 | Very low | 25.8 | Very low | 102 Ų | 102 | 130.7 Ų | 130.7 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | | | trans | -178.8 | 135.2 | 168.3 | -78.2 | 0 | 0 | 0 | 0 | 106.2 | | |
| 411 | V | 26.4 | Very low | 25.8 | Very low | 134 Ų | 134 | 131.7 Ų | 131.7 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | | | cis | 70.4 | 93.3 | 41.4 | -172.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 412 | W | 26 | Very low | 25.7 | Very low | 245 Ų | 245 | 129 Ų | 129 | 93% | 0.928 | 77% | 0.768 | S | S | * | * | | | trans | -149.5 | 149.6 | 174.5 | -102.3 | 68.3 | 0 | 0 | 0 | 109.4 | | |
| 413 | S | 29.6 | Very low | 25.7 | Very low | 94 Ų | 94 | 126.4 Ų | 126.4 | 66% | 0.657 | 76% | 0.764 | S | S | * | * | | | cis | -171.8 | 150.6 | -45.2 | -108.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 414 | G | 25.3 | Very low | 25.8 | Very low | 68 Ų | 68 | 127.9 Ų | 127.9 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | | | trans | 165 | 82.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 415 | L | 27.1 | Very low | 25.7 | Very low | 159 Ų | 159 | 127.7 Ų | 127.7 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | | | | 59.5 | 119.9 | 69.6 | -59.1 | 174.8 | 0 | 0 | 0 | 111.4 | | |
| 416 | T | 24.7 | Very low | 26.1 | Very low | 124 Ų | 124 | 123.5 Ų | 123.5 | 76% | 0.761 | 75% | 0.745 | S | S | * | * | | | cis | -135.7 | 171.6 | 2.7 | 50.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 417 | V | 27.2 | Very low | 26.1 | Very low | 129 Ų | 129 | 123.6 Ų | 123.6 | 78% | 0.782 | 74% | 0.741 | S | S | * | * | | | cis | -151.9 | 160.4 | 41.1 | 172.5 | 0 | 0 | 0 | 0 | 110 | | |
| 418 | S | 23.7 | Very low | 26.3 | Very low | 108 Ų | 108 | 121.6 Ų | 121.6 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | | | trans | -124 | 158.8 | 170.3 | -50.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 419 | P | 27.9 | Very low | 26.2 | Very low | 114 Ų | 114 | 117.8 Ų | 117.8 | 74% | 0.74 | 73% | 0.73 | S | S | * | * | | | | -146.1 | 161.3 | 91.4 | 37.8 | -21.9 | 0 | 0 | 0 | 116.5 | | |
| 420 | N | 24.6 | Very low | 26.2 | Very low | 148 Ų | 148 | 122.6 Ų | 122.6 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | | | trans | 19.5 | 143.1 | 150.6 | -51.3 | -26.5 | 0 | 0 | 0 | 120.2 | | |
| 421 | V | 26.4 | Very low | 26 | Very low | 125 Ų | 125 | 124.2 Ų | 124.2 | 76% | 0.758 | 74% | 0.744 | S | S | * | * | | | cis | -154.4 | 121.5 | 43.2 | -158.6 | 0 | 0 | 0 | 0 | 106.8 | | |
| 422 | S | 24.9 | Very low | 25.9 | Very low | 73 Ų | 73 | 124.5 Ų | 124.5 | 51% | 0.51 | 75% | 0.746 | S | S | . | * | | | | 55.9 | 140.2 | 68.5 | 73.9 | 0 | 0 | 0 | 0 | 115.4 | | |
| 423 | F | 24.2 | Very low | 25.6 | Very low | 191 Ų | 191 | 116.4 Ų | 116.4 | 84% | 0.838 | 73% | 0.732 | S | S | * | * | | | cis | -134.1 | -157.4 | -0.3 | -57.1 | -94.2 | 0 | 0 | 0 | 108.6 | | |
| 424 | M | 25.9 | Very low | 25.3 | Very low | 138 Ų | 138 | 118.9 Ų | 118.9 | 68% | 0.68 | 74% | 0.736 | S | S | * | * | | | cis | -160.3 | 175.7 | -0.4 | -148.1 | 178.2 | 73.8 | 0 | 0 | 110.7 | | |
| 425 | S | 22.8 | Very low | 25.2 | Very low | 86 Ų | 86 | 122.7 Ų | 122.7 | 60% | 0.601 | 74% | 0.735 | S | S | * | * | | | trans | -147.4 | -165.5 | -179.5 | -47.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 426 | P | 32 | Very low | 25.1 | Very low | 83 Ų | 83 | 118 Ų | 118 | 54% | 0.539 | 72% | 0.716 | S | S | . | * | | | cis | -145.3 | 179 | -4.2 | 39.4 | -17.4 | 0 | 0 | 0 | 118.7 | | |
| 427 | S | 25.7 | Very low | 25 | Very low | 92 Ų | 92 | 115.7 Ų | 115.7 | 64% | 0.643 | 71% | 0.705 | S | S | * | * | | | trans | 70.6 | 139.8 | 136.2 | 64.3 | 0 | 0 | 0 | 0 | 126.5 | | |
| 428 | S | 28.7 | Very low | 25.2 | Very low | 121 Ų | 121 | 118.3 Ų | 118.3 | 85% | 0.846 | 71% | 0.708 | S | S | * | * | | | trans | 71.3 | 152.8 | 148.5 | 72.7 | 0 | 0 | 0 | 0 | 119.9 | | |
| 429 | G | 25.8 | Very low | 25.1 | Very low | 69 Ų | 69 | 118.9 Ų | 118.9 | 71% | 0.711 | 71% | 0.712 | S | S | * | * | | | cis | 142.9 | 106.5 | -10 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 430 | N | 25.5 | Very low | 25 | Very low | 171 Ų | 171 | 120.3 Ų | 120.3 | 91% | 0.914 | 71% | 0.713 | S | S | * | * | | | trans | -148.4 | 148.3 | 173.9 | -110.8 | -32.7 | 0 | 0 | 0 | 111.4 | | |
| 431 | V | 21.6 | Very low | 24.9 | Very low | 137 Ų | 137 | 120.7 Ų | 120.7 | 83% | 0.83 | 71% | 0.714 | S | S | * | * | | | trans | -123.8 | 134.7 | -176.5 | 175.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 432 | V | 23.7 | Very low | 24.9 | Very low | 139 Ų | 139 | 120.8 Ų | 120.8 | 84% | 0.842 | 71% | 0.714 | S | S | * | * | | | trans | -128.6 | 137.4 | 166.3 | -177.4 | 0 | 0 | 0 | 0 | 108 | | |
| 433 | A | 20.9 | Very low | 24.8 | Very low | 76 Ų | 76 | 125.2 Ų | 125.2 | 63% | 0.628 | 73% | 0.727 | S | S | * | * | | | trans | -109.6 | -153.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 434 | I | 23 | Very low | 24.7 | Very low | 145 Ų | 145 | 121.8 Ų | 121.8 | 74% | 0.744 | 72% | 0.722 | S | S | * | * | | | trans | 84.3 | 141.2 | 178 | -52.5 | 163.2 | 0 | 0 | 0 | 113.3 | | |
| 435 | Q | 23.4 | Very low | 24.7 | Very low | 148 Ų | 148 | 124 Ų | 124 | 69% | 0.692 | 73% | 0.73 | S | S | * | * | | | cis | -164.4 | 151.4 | -40.6 | -150.3 | -174.2 | -96.4 | 0 | 0 | 110 | | |
| 436 | S | 24.1 | Very low | 24.7 | Very low | 61 Ų | 61 | 123.3 Ų | 123.3 | 43% | 0.427 | 73% | 0.726 | S | S | . | * | | | trans | 36 | 130.7 | 147.2 | 63.3 | 0 | 0 | 0 | 0 | 123 | | |
| 437 | S | 24.1 | Very low | 24.4 | Very low | 76 Ų | 76 | 125.4 Ų | 125.4 | 53% | 0.531 | 73% | 0.732 | S | S | . | * | | | trans | 61.7 | 105.5 | 134.6 | 66.2 | 0 | 0 | 0 | 0 | 121 | | |
| 438 | Q | 29.7 | Very low | 24.3 | Very low | 183 Ų | 183 | 128.3 Ų | 128.3 | 86% | 0.855 | 74% | 0.74 | S | S | * | * | | | trans | -137.1 | 139 | 131.5 | -71.5 | -164.3 | 2.8 | 0 | 0 | 110.1 | | |
| 439 | S | 21.6 | Very low | 24.3 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 84% | 0.839 | 73% | 0.731 | S | S | * | * | | | trans | -106.6 | 126.2 | 171 | -53.7 | 0 | 0 | 0 | 0 | 108.7 | | |
| 440 | L | 26.6 | Very low | 24.4 | Very low | 145 Ų | 145 | 129.8 Ų | 129.8 | 76% | 0.759 | 73% | 0.731 | S | S | * | * | | | trans | -135.9 | 130.1 | 173.8 | -97.1 | 172 | 0 | 0 | 0 | 112.6 | | |
| 441 | I | 22 | Very low | 24.3 | Very low | 156 Ų | 156 | 130.2 Ų | 130.2 | 80% | 0.8 | 73% | 0.728 | S | S | * | * | | | trans | -95.6 | 118.2 | 167 | -62.9 | 164.5 | 0 | 0 | 0 | 106.4 | | |
| 442 | V | 26.7 | Very low | 24.6 | Very low | 126 Ų | 126 | 128.6 Ų | 128.6 | 76% | 0.764 | 72% | 0.723 | S | S | * | * | | | trans | -138.3 | 94.2 | 161.3 | -172.6 | 0 | 0 | 0 | 0 | 105 | | |
| 443 | Q | 22.9 | Very low | 24.6 | Very low | 166 Ų | 166 | 127.5 Ų | 127.5 | 78% | 0.776 | 72% | 0.716 | S | S | * | * | | | | 75.9 | 125.5 | 67.3 | -172.4 | 168.2 | -23.6 | 0 | 0 | 112.3 | | |
| 444 | T | 22.1 | Very low | 24.9 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 74% | 0.736 | 73% | 0.728 | S | S | * | * | | | trans | -77.6 | 139.3 | 176.3 | 46.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 445 | Q | 26.8 | Very low | 25.1 | Very low | 183 Ų | 183 | 128.6 Ų | 128.6 | 86% | 0.855 | 72% | 0.722 | S | S | * | * | | | trans | -148.4 | 104.3 | 163 | -165.9 | 172 | 9.5 | 0 | 0 | 103.7 | | |
| 446 | S | 23.1 | Very low | 25.1 | Very low | 72 Ų | 72 | 128 Ų | 128 | 50% | 0.503 | 73% | 0.729 | S | S | . | * | | | cis | 58.7 | 131.1 | 25.6 | 75 | 0 | 0 | 0 | 0 | 114.2 | | |
| 447 | D | 24.7 | Very low | 25.3 | Very low | 127 Ų | 127 | 130.3 Ų | 130.3 | 68% | 0.679 | 75% | 0.745 | S | S | * | * | | | trans | 75.8 | 101.3 | 175.8 | -45.9 | -33.3 | 0 | 0 | 0 | 114.7 | | |
| 448 | L | 24.6 | Very low | 25.4 | Very low | 154 Ų | 154 | 131.3 Ų | 131.3 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | | | | 90.3 | 159.5 | 86.6 | -95.6 | 110.6 | 0 | 0 | 0 | 110.8 | | |
| 449 | P | 27.4 | Very low | 25.2 | Very low | 100 Ų | 100 | 127.3 Ų | 127.3 | 65% | 0.649 | 74% | 0.744 | S | S | * | * | | | cis | -131.8 | -138.1 | -48.2 | 37.1 | -17 | 0 | 0 | 0 | 110.2 | | |
| 450 | V | 27.8 | Very low | 25.4 | Very low | 120 Ų | 120 | 129.1 Ų | 129.1 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | | | trans | 71.3 | 119.5 | 173 | -171 | 0 | 0 | 0 | 0 | 114.6 | | |
| 451 | Q | 23.7 | Very low | 25.4 | Very low | 180 Ų | 180 | 128.8 Ų | 128.8 | 84% | 0.841 | 74% | 0.743 | S | S | * | * | | | cis | 87.2 | 63.5 | 18.9 | -153.4 | -178.3 | -1.2 | 0 | 0 | 117.1 | | |
| 452 | S | 28.5 | Very low | 25.8 | Very low | 104 Ų | 104 | 126.3 Ų | 126.3 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | | | trans | -151.8 | 115.5 | 153.9 | 53.3 | 0 | 0 | 0 | 0 | 107.5 | | |
| 453 | T | 23.4 | Very low | 25.8 | Very low | 115 Ų | 115 | 125.3 Ų | 125.3 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | | | cis | 77.9 | 142.6 | 41.7 | -48.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 454 | I | 26.4 | Very low | 26 | Very low | 169 Ų | 169 | 124.7 Ų | 124.7 | 87% | 0.867 | 74% | 0.737 | S | S | * | * | | | trans | 77.2 | 127.6 | -171.7 | -47.9 | 165.2 | 0 | 0 | 0 | 111.6 | | |
| 455 | A | 28.3 | Very low | 26.3 | Very low | 76 Ų | 76 | 125.7 Ų | 125.7 | 63% | 0.628 | 74% | 0.735 | S | S | * | * | | | cis | -142.9 | 143.7 | -8.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 456 | T | 23.6 | Very low | 26.4 | Very low | 135 Ų | 135 | 124.5 Ų | 124.5 | 83% | 0.828 | 73% | 0.731 | S | S | * | * | | | | 55.2 | 84.5 | 59.1 | 64.3 | 0 | 0 | 0 | 0 | 116.6 | | |
| 457 | S | 26.7 | Very low | 26.7 | Very low | 109 Ų | 109 | 124.2 Ų | 124.2 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | | | trans | -176.1 | 142.6 | 144.6 | 57.6 | 0 | 0 | 0 | 0 | 114.5 | | |
| 458 | S | 27.5 | Very low | 27 | Very low | 98 Ų | 98 | 125.7 Ų | 125.7 | 69% | 0.685 | 74% | 0.736 | S | S | * | * | | | trans | 31.1 | 114.6 | 142.7 | 58.8 | 0 | 0 | 0 | 0 | 120.1 | | |
| 459 | S | 25 | Very low | 27.1 | Very low | 98 Ų | 98 | 127.4 Ų | 127.4 | 69% | 0.685 | 73% | 0.732 | S | S | * | * | | | | 89.7 | 136.6 | 58.5 | 73.5 | 0 | 0 | 0 | 0 | 115.3 | | |
| 460 | L | 25.6 | Very low | 27.1 | Very low | 158 Ų | 158 | 126.8 Ų | 126.8 | 83% | 0.827 | 73% | 0.73 | S | S | * | * | | | trans | 68.5 | 159.6 | 170.2 | -52.5 | 168.9 | 0 | 0 | 0 | 114 | | |
| 461 | N | 27 | Very low | 27 | Very low | 139 Ų | 139 | 130.4 Ų | 130.4 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | | | cis | -146.4 | 151.7 | 4.6 | -140.5 | 10.1 | 0 | 0 | 0 | 110.1 | | |
| 462 | P | 30.6 | Very low | 27.1 | Very low | 103 Ų | 103 | 127.5 Ų | 127.5 | 67% | 0.669 | 74% | 0.736 | S | S | * | * | | | trans | -96.6 | 174.6 | 175.2 | 38.8 | -33.4 | 0 | 0 | 0 | 112.4 | | |
| 463 | S | 25.4 | Very low | 27.2 | Very low | 106 Ų | 106 | 126.4 Ų | 126.4 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | | | trans | 168 | 165.6 | 134.9 | -78.8 | 0 | 0 | 0 | 0 | 114.5 | | |
| 464 | L | 28.2 | Very low | 27.4 | Very low | 153 Ų | 153 | 127 Ų | 127 | 80% | 0.801 | 75% | 0.749 | S | S | * | * | | | trans | 71.6 | 105.2 | 169.9 | -46.8 | -179.1 | 0 | 0 | 0 | 115.1 | | |
| 465 | M | 28.9 | Very low | 27.5 | Very low | 141 Ų | 141 | 124.1 Ų | 124.1 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | | | | 73.1 | 143.6 | 52.7 | -59.5 | -176.6 | 61.2 | 0 | 0 | 113.5 | | |
| 466 | M | 28.5 | Very low | 27.5 | Very low | 157 Ų | 157 | 125 Ų | 125 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | | | cis | -114.1 | 145.3 | 19.5 | -93.7 | 69.7 | 173.1 | 0 | 0 | 113.6 | | |
| 467 | S | 29.8 | Very low | 27.6 | Very low | 67 Ų | 67 | 125.5 Ų | 125.5 | 47% | 0.469 | 74% | 0.743 | S | S | . | * | | | | 55.7 | 142.8 | 94.9 | -67.3 | 0 | 0 | 0 | 0 | 115.6 | | |
| 468 | L | 29.6 | Very low | 27.7 | Very low | 158 Ų | 158 | 127 Ų | 127 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | | | cis | -112.2 | 144.6 | 22.1 | -56.9 | 158.9 | 0 | 0 | 0 | 111.3 | | |
| 469 | R | 28.3 | Very low | 27.7 | Very low | 190 Ų | 190 | 126 Ų | 126 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | | | | 60.2 | 122.8 | 54.3 | -79.2 | -162 | -90.3 | -175.1 | -2.7 | 112.9 | | |
| 470 | S | 26.7 | Very low | 27.9 | Very low | 86 Ų | 86 | 126.9 Ų | 126.9 | 60% | 0.601 | 76% | 0.757 | S | S | * | * | | | cis | -149.1 | -171.1 | -4.5 | -61.1 | 0 | 0 | 0 | 0 | 108 | | |
| 471 | F | 26.4 | Very low | 28 | Very low | 197 Ų | 197 | 124.4 Ų | 124.4 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | | | cis | -155.6 | -178.6 | 10.5 | -123.9 | -50.3 | 0 | 0 | 0 | 109.9 | | |
| 472 | S | 25.5 | Very low | 28 | Very low | 119 Ų | 119 | 125.7 Ų | 125.7 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | | | trans | -146.3 | 136.3 | 154.6 | -68.5 | 0 | 0 | 0 | 0 | 107.8 | | |
| 473 | G | 29.4 | Very low | 27.9 | Very low | 80 Ų | 80 | 125.4 Ų | 125.4 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | | | trans | -175.2 | 131 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 474 | S | 27.6 | Very low | 27.9 | Very low | 128 Ų | 128 | 128 Ų | 128 | 90% | 0.895 | 76% | 0.761 | S | S | * | * | | | trans | -108.6 | 111.7 | -178.5 | -56.6 | 0 | 0 | 0 | 0 | 111 | | |
| 475 | S | 28.9 | Very low | 27.8 | Very low | 108 Ų | 108 | 125.6 Ų | 125.6 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | | | trans | -177.1 | 139.3 | 151.3 | 53.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 476 | S | 28.1 | Very low | 27.7 | Very low | 94 Ų | 94 | 123.2 Ų | 123.2 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | | | trans | 52.5 | 116.2 | 149.6 | 61 | 0 | 0 | 0 | 0 | 121.5 | | |
| 477 | N | 25.8 | Very low | 27.5 | Very low | 146 Ų | 146 | 119.8 Ų | 119.8 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | | | trans | 85.2 | 141.7 | 137 | -61.5 | -5.1 | 0 | 0 | 0 | 121.7 | | |
| 478 | T | 29.4 | Very low | 27.3 | Very low | 140 Ų | 140 | 124.5 Ų | 124.5 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | | | trans | 54.1 | 96.5 | 159.5 | 48.3 | 0 | 0 | 0 | 0 | 117.8 | | |
| 479 | G | 28 | Very low | 27.1 | Very low | 78 Ų | 78 | 125.9 Ų | 125.9 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | -80.9 | -129.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 480 | P | 29.2 | Very low | 26.8 | Very low | 117 Ų | 117 | 122.9 Ų | 122.9 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | | | cis | -127.2 | 177 | 11.8 | 42.4 | -28.6 | 0 | 0 | 0 | 115.2 | | |
| 481 | S | 27.7 | Very low | 26.7 | Very low | 106 Ų | 106 | 125.4 Ų | 125.4 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | | | trans | 70.4 | 152.4 | 156.2 | 72.5 | 0 | 0 | 0 | 0 | 121 | | |
| 482 | L | 25.4 | Very low | 26.6 | Very low | 165 Ų | 165 | 121.6 Ų | 121.6 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | | | cis | -156 | 170.7 | -33.1 | -101.5 | 169 | 0 | 0 | 0 | 105.3 | | |
| 483 | P | 29.4 | Very low | 26.4 | Very low | 97 Ų | 97 | 120.7 Ų | 120.7 | 63% | 0.63 | 78% | 0.781 | S | S | * | * | | | trans | -118.8 | -158.2 | -149.9 | 35.4 | -16.6 | 0 | 0 | 0 | 114 | | |
| 484 | L | 25.6 | Very low | 26.1 | Very low | 160 Ų | 160 | 125.3 Ų | 125.3 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | | | trans | 79.7 | 148.2 | 171 | -47.3 | 166.8 | 0 | 0 | 0 | 113.7 | | |
| 485 | S | 25.7 | Very low | 25.8 | Very low | 104 Ų | 104 | 126.3 Ų | 126.3 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | cis | -152.6 | 171.5 | -5.5 | -153.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 486 | A | 26.1 | Very low | 25.7 | Very low | 91 Ų | 91 | 128.9 Ų | 128.9 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | | | trans | 44.6 | 124.4 | 149.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 487 | A | 24.8 | Very low | 25.4 | Very low | 85 Ų | 85 | 128.2 Ų | 128.2 | 70% | 0.702 | 78% | 0.778 | S | S | * | * | | | trans | -52.1 | 150.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 488 | N | 25.7 | Very low | 25.3 | Very low | 165 Ų | 165 | 129.1 Ų | 129.1 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | | | trans | -153.2 | 125.7 | 141.7 | -100 | -47.9 | 0 | 0 | 0 | 109.5 | T490 | N488-T490 PolarHBondContact O-N 3.08Š|
| 489 | H | 25.6 | Very low | 25.1 | Very low | 188 Ų | 188 | 127.7 Ų | 127.7 | 87% | 0.87 | 78% | 0.779 | S | S | * | * | | | trans | -82.2 | 108.4 | 178.1 | -90.4 | -73.6 | 0 | 0 | 0 | 110.9 | V491 | H489-V491 PolarHBondContact O-N 2.77Å; H489-V491 VanDerWaalsContact O-N 3.11Å |
| 490 | T | 22.8 | Very low | 25 | Very low | 126 Ų | 126 | 131.3 Ų | 131.3 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | | | trans | -67.4 | 103.2 | 177.9 | -6.8 | 0 | 0 | 0 | 0 | 111.5 | N488 L492 | N488-T490 PolarHBondContact O-N 3.08Å; T490-L492 PolarHBondContact O-N 3.35Å |
| 491 | V | 23.7 | Very low | 24.9 | Very low | 139 Ų | 139 | 132.8 Ų | 132.8 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | | | trans | -83.3 | 101.5 | 159.5 | 178.8 | 0 | 0 | 0 | 0 | 107.4 | H489 A493 | H489-V491 PolarHBondContact O-N 2.77Å; H489-V491 VanDerWaalsContact O-N 3.11Å; V491-A493 PolarHBondContact O-N 3.08Å |
| 492 | L | 24.1 | Very low | 24.9 | Very low | 118 Ų | 118 | 135.8 Ų | 135.8 | 62% | 0.618 | 79% | 0.789 | S | S | * | * | | | trans | -67.9 | 112.3 | -179.7 | -72.4 | 163.9 | 0 | 0 | 0 | 110.8 | T490 F494 | T490-L492 PolarHBondContact O-N 3.35Å; L492-F494 HydrophobicContact CB-CD2 4.16Å; L492-F494 HydrophobicContact CB-CE2 3.57Å; L492-F494 HydrophobicContact CB-CZ 4.05Å; L492-F494 HydrophobicContact CD1-CE2 4.2Å; L492-F494 HydrophobicContact CD1-CZ 4.08Å; L492-F494 HydrophobicContact CG-CE2 4.5Å; L492-F494 PolarHBondContact O-N 3.24Å |
| 493 | A | 21.1 | Very low | 24.9 | Very low | 100 Ų | 100 | 132.3 Ų | 132.3 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | | | trans | -78.4 | 107.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | V491 | V491-A493 PolarHBondContact O-N 3.08Š|
| 494 | F | 24.2 | Very low | 24.7 | Very low | 176 Ų | 176 | 134.1 Ų | 134.1 | 77% | 0.772 | 79% | 0.787 | S | S | * | * | | | trans | -90.5 | 108.4 | 172.1 | -71 | -79.3 | 0 | 0 | 0 | 110.3 | L492 | L492-F494 HydrophobicContact CB-CD2 4.16Å; L492-F494 HydrophobicContact CB-CE2 3.57Å; L492-F494 HydrophobicContact CB-CZ 4.05Å; L492-F494 HydrophobicContact CD1-CE2 4.2Å; L492-F494 HydrophobicContact CD1-CZ 4.08Å; L492-F494 HydrophobicContact CG-CE2 4.5Å; L492-F494 PolarHBondContact O-N 3.24Å |
| 495 | N | 21.6 | Very low | 25 | Very low | 149 Ų | 149 | 131.4 Ų | 131.4 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | | | trans | -99.9 | 110 | 170 | -178.3 | 17.9 | 0 | 0 | 0 | 109.1 | | |
| 496 | L | 25.6 | Very low | 25 | Very low | 163 Ų | 163 | 133.2 Ų | 133.2 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | | | trans | -134.1 | 112.4 | 170.8 | -75.8 | 175.5 | 0 | 0 | 0 | 109.2 | | |
| 497 | A | 22.7 | Very low | 24.9 | Very low | 79 Ų | 79 | 134.6 Ų | 134.6 | 65% | 0.653 | 79% | 0.785 | S | S | * | * | | | trans | -95.4 | 167.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 498 | N | 23.9 | Very low | 24.8 | Very low | 166 Ų | 166 | 135.8 Ų | 135.8 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | | | trans | 67.8 | 151.7 | -179.6 | -64.1 | -20.1 | 0 | 0 | 0 | 114.7 | | |
| 499 | S | 25.2 | Very low | 24.7 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | | | cis | -146.7 | 170.5 | 6.4 | 37.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 500 | N | 24.4 | Very low | 24.7 | Very low | 153 Ų | 153 | 131.3 Ų | 131.3 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -70.1 | 145.9 | 172 | -48.8 | -65.8 | 0 | 0 | 0 | 112.9 | | |
| 501 | V | 27.7 | Very low | 24.8 | Very low | 148 Ų | 148 | 130.6 Ų | 130.6 | 90% | 0.897 | 77% | 0.769 | S | S | * | * | | | trans | -143.3 | 155.6 | 144.2 | -179.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 502 | H | 28.2 | Very low | 24.9 | Very low | 170 Ų | 170 | 130.6 Ų | 130.6 | 79% | 0.787 | 77% | 0.77 | S | S | * | * | | | trans | -82.1 | 139.1 | -168 | -70.3 | -22.9 | 0 | 0 | 0 | 117.6 | | |
| 503 | S | 25.4 | Very low | 25 | Very low | 92 Ų | 92 | 128.2 Ų | 128.2 | 64% | 0.643 | 77% | 0.774 | S | S | * | * | | | | 31.2 | 124.2 | 114.4 | -41.9 | 0 | 0 | 0 | 0 | 122.6 | | |
| 504 | T | 25.9 | Very low | 25.1 | Very low | 134 Ų | 134 | 130.3 Ų | 130.3 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | | | | 72 | 169.9 | 129.9 | 62.7 | 0 | 0 | 0 | 0 | 119.9 | | |
| 505 | P | 30.1 | Very low | 25.1 | Very low | 104 Ų | 104 | 130.3 Ų | 130.3 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | | | | -139.3 | 165.8 | -57.4 | 40.3 | -25.6 | 0 | 0 | 0 | 114.4 | | |
| 506 | T | 26.2 | Very low | 25.3 | Very low | 141 Ų | 141 | 129.2 Ų | 129.2 | 87% | 0.865 | 77% | 0.767 | S | S | * | * | | | trans | -151.1 | 104.3 | 160 | -0.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 507 | T | 24.2 | Very low | 25.2 | Very low | 120 Ų | 120 | 127.8 Ų | 127.8 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | | | trans | 14 | 161.8 | 131 | -26.1 | 0 | 0 | 0 | 0 | 122.5 | | |
| 508 | C | 23 | Very low | 25.6 | Very low | 110 Ų | 110 | 129.8 Ų | 129.8 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | | | trans | 91.4 | 134.7 | 159.9 | -58.6 | 0 | 0 | 0 | 0 | 116.6 | | |
| 509 | T | 24.2 | Very low | 25.7 | Very low | 113 Ų | 113 | 127.4 Ų | 127.4 | 69% | 0.693 | 76% | 0.758 | S | S | * | * | | | cis | 166.2 | 163.1 | -25 | 25.5 | 0 | 0 | 0 | 0 | 105.9 | | |
| 510 | N | 25 | Very low | 25.7 | Very low | 146 Ų | 146 | 132.4 Ų | 132.4 | 78% | 0.781 | 76% | 0.76 | S | S | * | * | | | trans | 87.6 | 151.1 | 166.5 | -63.6 | -14 | 0 | 0 | 0 | 118.7 | | |
| 511 | V | 25 | Very low | 25.7 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 67% | 0.673 | 75% | 0.751 | S | S | * | * | | | cis | 172.8 | 146.6 | -37 | 133.7 | 0 | 0 | 0 | 0 | 107 | | |
| 512 | T | 24.9 | Very low | 25.6 | Very low | 139 Ų | 139 | 130.4 Ų | 130.4 | 85% | 0.853 | 74% | 0.739 | S | S | * | * | | | trans | 58.3 | 155.5 | -178.5 | 44.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 513 | G | 25.8 | Very low | 25.5 | Very low | 68 Ų | 68 | 127.3 Ų | 127.3 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | | | cis | -165.6 | -163 | -3.7 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 514 | M | 23.7 | Very low | 25.4 | Very low | 145 Ų | 145 | 127.6 Ų | 127.6 | 71% | 0.714 | 73% | 0.73 | S | S | * | * | | | cis | -170.2 | 133 | -11.2 | -95.7 | -114 | -60.4 | 0 | 0 | 105.9 | | |
| 515 | F | 23.9 | Very low | 25.4 | Very low | 175 Ų | 175 | 127 Ų | 127 | 77% | 0.768 | 73% | 0.731 | S | S | * | * | | | trans | 64.5 | 166.8 | 159.6 | -67.5 | -135.1 | 0 | 0 | 0 | 114.4 | | |
| 516 | T | 27.4 | Very low | 25.1 | Very low | 127 Ų | 127 | 129.4 Ų | 129.4 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | | | cis | -143.5 | 157.2 | -5.8 | -14.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 517 | N | 23.3 | Very low | 25.3 | Very low | 132 Ų | 132 | 127.7 Ų | 127.7 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | | | trans | -108.1 | 137.1 | 176.5 | -175 | -2.6 | 0 | 0 | 0 | 110.7 | | |
| 518 | P | 30.7 | Very low | 25.4 | Very low | 121 Ų | 121 | 128 Ų | 128 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | | | trans | -118.8 | 114.4 | 157.5 | 34.1 | -22.6 | 0 | 0 | 0 | 113.1 | | |
| 519 | V | 24.6 | Very low | 25.5 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 70% | 0.703 | 73% | 0.732 | S | S | * | * | | | trans | -74.6 | 142.1 | 168.9 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 520 | R | 26.5 | Very low | 25.5 | Very low | 215 Ų | 215 | 128.7 Ų | 128.7 | 81% | 0.811 | 74% | 0.739 | S | S | * | * | | | trans | 170.2 | 157 | 148 | -92.9 | 151.9 | -156.8 | -82.2 | 11.7 | 110.3 | | |
| 521 | Q | 23.9 | Very low | 25.4 | Very low | 137 Ų | 137 | 128.6 Ų | 128.6 | 64% | 0.64 | 74% | 0.738 | S | S | * | * | | | cis | -177.2 | 162.3 | -31.4 | -142.7 | -178.1 | -28.8 | 0 | 0 | 107.7 | | |
| 522 | I | 25.7 | Very low | 25.4 | Very low | 123 Ų | 123 | 130.5 Ų | 130.5 | 63% | 0.631 | 74% | 0.742 | S | S | * | * | | | trans | 71.1 | 144.2 | 158 | -58.9 | 157.7 | 0 | 0 | 0 | 115.9 | | |
| 523 | N | 26.1 | Very low | 25.3 | Very low | 105 Ų | 105 | 129.1 Ų | 129.1 | 56% | 0.561 | 73% | 0.734 | S | S | * | * | | | cis | -162.4 | 170.6 | -36.6 | -107.1 | 3.8 | 0 | 0 | 0 | 111.2 | V682 | N523-V682 WeakPolarHBondContact ND2-CG2 3.24Š|
| 524 | S | 24.1 | Very low | 25.2 | Very low | 98 Ų | 98 | 133.3 Ų | 133.3 | 69% | 0.685 | 73% | 0.728 | S | S | * | * | | | trans | -30.1 | 146.1 | 165 | 56.2 | 0 | 0 | 0 | 0 | 120.2 | | |
| 525 | S | 24.9 | Very low | 25.2 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 84% | 0.839 | 73% | 0.725 | S | S | * | * | | | | -172.6 | 139.8 | 115.2 | 48.8 | 0 | 0 | 0 | 0 | 115.1 | | |
| 526 | N | 24.7 | Very low | 25.3 | Very low | 156 Ų | 156 | 129.4 Ų | 129.4 | 83% | 0.834 | 73% | 0.729 | S | S | * | * | | | trans | -110.5 | 177.2 | 155.3 | -126.5 | -14.1 | 0 | 0 | 0 | 105.4 | | |
| 527 | P | 30.1 | Very low | 25.4 | Very low | 105 Ų | 105 | 126.6 Ų | 126.6 | 68% | 0.682 | 73% | 0.726 | S | S | * | * | | | cis | -117.8 | -152.9 | -13.1 | 37.8 | -19.2 | 0 | 0 | 0 | 110.7 | | |
| 528 | T | 26 | Very low | 25.7 | Very low | 127 Ų | 127 | 126.2 Ų | 126.2 | 78% | 0.779 | 73% | 0.731 | S | S | * | * | | | | 179.2 | 153.8 | 76.5 | -49.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 529 | S | 24.1 | Very low | 25.3 | Very low | 107 Ų | 107 | 126 Ų | 126 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | | | trans | -82.8 | 176.5 | 175.4 | -39.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 530 | P | 25.6 | Very low | 25.4 | Very low | 129 Ų | 129 | 125.1 Ų | 125.1 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | | | | -142.5 | -177.4 | 66.1 | 38.1 | -18 | 0 | 0 | 0 | 115.7 | | |
| 531 | L | 23 | Very low | 25.5 | Very low | 145 Ų | 145 | 121.2 Ų | 121.2 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | | | trans | -123.5 | 135.8 | -172.1 | 167.8 | 160.3 | 0 | 0 | 0 | 109.7 | V533 | L531-V533 HydrophobicContact CD2-CG2 3.9Š|
| 532 | I | 24.4 | Very low | 25.7 | Very low | 150 Ų | 150 | 117.7 Ų | 117.7 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | | | trans | -131.8 | 124.5 | 169.6 | -63.9 | 179.3 | 0 | 0 | 0 | 109.7 | | |
| 533 | V | 23.3 | Very low | 25.8 | Very low | 111 Ų | 111 | 121.5 Ų | 121.5 | 67% | 0.673 | 74% | 0.744 | S | S | * | * | | | trans | -99 | 148.5 | 174.7 | 170.2 | 0 | 0 | 0 | 0 | 109.5 | L531 | L531-V533 HydrophobicContact CD2-CG2 3.9Š|
| 534 | R | 23 | Very low | 25.9 | Very low | 156 Ų | 156 | 123.7 Ų | 123.7 | 59% | 0.589 | 75% | 0.754 | S | S | * | * | | | trans | -150.6 | 106.8 | 160.5 | -143.5 | 170 | -77.1 | -175.3 | -7.1 | 112.8 | R824 I825 | R534-R824 VanDerWaalsContact NH1-C 3.29Å; R534-R824 PolarHBondContact NH1-O 3.32Å; R534-I825 WeakPolarHBondContact CD-O 3.47Å; R534-I825 PolarHBondContact NH1-O 3.48Å |
| 535 | A | 24 | Very low | 26.1 | Very low | 79 Ų | 79 | 123.8 Ų | 123.8 | 65% | 0.653 | 75% | 0.753 | S | S | * | * | | | trans | -90.2 | 158.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 536 | N | 25.8 | Very low | 26.1 | Very low | 158 Ų | 158 | 125.2 Ų | 125.2 | 85% | 0.845 | 75% | 0.751 | S | S | * | * | | | trans | -176.9 | 145.9 | 144.3 | -93.8 | -37.7 | 0 | 0 | 0 | 110 | | |
| 537 | G | 29.5 | Very low | 26.4 | Very low | 69 Ų | 69 | 123.9 Ų | 123.9 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | | | trans | -116.7 | -176.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 538 | P | 28.7 | Very low | 26.2 | Very low | 124 Ų | 124 | 123.6 Ų | 123.6 | 81% | 0.805 | 75% | 0.75 | S | S | * | * | | | trans | -125.2 | 146.5 | 137.8 | 35.9 | -27.4 | 0 | 0 | 0 | 110.1 | | |
| 539 | S | 24.2 | Very low | 26.3 | Very low | 116 Ų | 116 | 123.8 Ų | 123.8 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | | | cis | 75.9 | 92 | 28.7 | -157 | 0 | 0 | 0 | 0 | 115 | | |
| 540 | A | 26.5 | Very low | 26.3 | Very low | 97 Ų | 97 | 125.4 Ų | 125.4 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | | | trans | -153.9 | 97.5 | 160.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 541 | V | 27.2 | Very low | 26.5 | Very low | 134 Ų | 134 | 128 Ų | 128 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | | | | 83.3 | 119.2 | 76.3 | 167.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 542 | G | 28.8 | Very low | 26.8 | Very low | 62 Ų | 62 | 124.3 Ų | 124.3 | 64% | 0.639 | 76% | 0.755 | S | S | * | * | | | trans | 168.4 | 69.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 543 | Y | 28.6 | Very low | 27.1 | Very low | 203 Ų | 203 | 123.4 Ų | 123.4 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | | | trans | 47 | 127.9 | 155.1 | -51.4 | -82.8 | 0 | 0 | 0 | 120.6 | | |
| 544 | I | 26.6 | Very low | 27.4 | Very low | 151 Ų | 151 | 124.8 Ų | 124.8 | 77% | 0.774 | 77% | 0.768 | S | S | * | * | | | cis | 71.5 | 135.5 | 40.5 | -56.4 | 173.6 | 0 | 0 | 0 | 111.8 | | |
| 545 | P | 28.5 | Very low | 27.6 | Very low | 101 Ų | 101 | 122.5 Ų | 122.5 | 66% | 0.656 | 78% | 0.776 | S | S | * | * | | | cis | -130.3 | 177.4 | 12.6 | 25.3 | -0.6 | 0 | 0 | 0 | 117.4 | | |
| 546 | N | 25.3 | Very low | 28 | Very low | 149 Ų | 149 | 125.7 Ų | 125.7 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | | | trans | 29.6 | 154.1 | 136 | -48.5 | -9.5 | 0 | 0 | 0 | 121 | | |
| 547 | T | 31 | Very low | 28.3 | Very low | 128 Ų | 128 | 125.2 Ų | 125.2 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | | | cis | -151.3 | 165.4 | 38.3 | 47.9 | 0 | 0 | 0 | 0 | 115.4 | | |
| 548 | S | 26.8 | Very low | 28.4 | Very low | 100 Ų | 100 | 129.1 Ų | 129.1 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | | | trans | -25.7 | 160.8 | 157 | 58.1 | 0 | 0 | 0 | 0 | 118.5 | | |
| 549 | T | 28.3 | Very low | 28.3 | Very low | 131 Ų | 131 | 128.8 Ų | 128.8 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | cis | -149.4 | 167.4 | 37.9 | 40.7 | 0 | 0 | 0 | 0 | 115 | | |
| 550 | V | 24.1 | Very low | 28.6 | Very low | 140 Ų | 140 | 132 Ų | 132 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | | | trans | -100.9 | 135.6 | 170.4 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 551 | M | 29.9 | Very low | 28.7 | Very low | 185 Ų | 185 | 134 Ų | 134 | 91% | 0.911 | 77% | 0.77 | S | S | * | * | | | trans | 171.5 | 153.4 | 157.1 | -98.1 | -178.8 | -63.5 | 0 | 0 | 106.6 | | |
| 552 | G | 28.9 | Very low | 29 | Very low | 66 Ų | 66 | 135.4 Ų | 135.4 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | | | cis | 173.6 | 136.7 | -5.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 553 | P | 29.9 | Very low | 28.9 | Very low | 132 Ų | 132 | 137.1 Ų | 137.1 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | | | trans | -93.3 | 138.6 | -168.5 | 34.4 | -33.7 | 0 | 0 | 0 | 114 | | |
| 554 | T | 30.7 | Very low | 29.1 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 86% | 0.859 | 78% | 0.775 | S | S | * | * | | | trans | -136 | 140.6 | 163.7 | 49.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 555 | S | 26.6 | Very low | 29.1 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | -63.4 | 169.5 | 174.7 | 51.2 | 0 | 0 | 0 | 0 | 114 | | |
| 556 | L | 31.7 | Very low | 29.3 | Very low | 147 Ų | 147 | 133.8 Ų | 133.8 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | | | | -175.2 | 114.9 | 126.1 | -97.9 | 167.3 | 0 | 0 | 0 | 111.8 | | |
| 557 | L | 31.7 | Very low | 29.5 | Very low | 147 Ų | 147 | 129.7 Ų | 129.7 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | | | trans | 63.3 | 151.3 | 154.4 | -49.9 | 174 | 0 | 0 | 0 | 117.6 | | |
| 558 | K | 31.7 | Very low | 29.5 | Very low | 151 Ų | 151 | 131.7 Ų | 131.7 | 66% | 0.657 | 79% | 0.789 | S | S | * | * | | | cis | -155 | 129.4 | 0.4 | -141.1 | 172.6 | -178.4 | 178.8 | 0 | 108.8 | F560 | K558-F560 HydrophobicContact CD-CE2 3.99Å; K558-F560 HydrophobicContact CD-CZ 4.22Å; K558-F560 HydrophobicContact CG-CE2 4.42Å |
| 559 | P | 28.1 | Very low | 29.4 | Very low | 117 Ų | 117 | 131.9 Ų | 131.9 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | | | trans | -91.4 | 155.4 | 164.9 | 35.5 | -31.8 | 0 | 0 | 0 | 111.1 | | |
| 560 | F | 30.7 | Very low | 29.5 | Very low | 184 Ų | 184 | 130.7 Ų | 130.7 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | | | trans | -130.4 | 139 | 161.9 | -80.2 | -73.4 | 0 | 0 | 0 | 109.8 | K558 | K558-F560 HydrophobicContact CD-CE2 3.99Å; K558-F560 HydrophobicContact CD-CZ 4.22Å; K558-F560 HydrophobicContact CG-CE2 4.42Å |
| 561 | N | 27.1 | Very low | 29.7 | Very low | 140 Ų | 140 | 129.7 Ų | 129.7 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | | | trans | -150.7 | 122.2 | -174.7 | 179.7 | 16.9 | 0 | 0 | 0 | 108.4 | | |
| 562 | L | 33.2 | Very low | 29.7 | Very low | 162 Ų | 162 | 126.3 Ų | 126.3 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | | | trans | -141.9 | 106.9 | 168.7 | -67.4 | 172.7 | 0 | 0 | 0 | 105.2 | | |
| 563 | S | 28.2 | Very low | 29.7 | Very low | 98 Ų | 98 | 128.3 Ų | 128.3 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | | | | 63.8 | 97 | 54.7 | 89.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 564 | G | 31.5 | Very low | 29.6 | Very low | 79 Ų | 79 | 126.9 Ų | 126.9 | 81% | 0.814 | 77% | 0.772 | S | S | * | * | | | trans | -168 | 87.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 565 | N | 27.7 | Very low | 29.5 | Very low | 164 Ų | 164 | 126.4 Ų | 126.4 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | | | trans | -115.9 | 91.1 | -163.7 | -170.3 | 53.5 | 0 | 0 | 0 | 112.7 | | |
| 566 | T | 32.1 | Very low | 29.5 | Very low | 142 Ų | 142 | 126.2 Ų | 126.2 | 87% | 0.871 | 77% | 0.768 | S | S | * | * | | | trans | -163.9 | 145.7 | 167 | 39.1 | 0 | 0 | 0 | 0 | 107.4 | | |
| 567 | G | 28.9 | Very low | 29.4 | Very low | 64 Ų | 64 | 126 Ų | 126 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | | | cis | 136.1 | 138 | 6.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 568 | L | 30.9 | Very low | 29.2 | Very low | 170 Ų | 170 | 124.3 Ų | 124.3 | 89% | 0.89 | 77% | 0.768 | S | S | * | * | | | trans | 67.8 | 128.5 | -174.5 | -43.4 | 172.2 | 0 | 0 | 0 | 113.3 | | |
| 569 | S | 26.3 | Very low | 29.2 | Very low | 104 Ų | 104 | 122.1 Ų | 122.1 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | cis | 87.7 | 87.9 | 25.5 | 85.4 | 0 | 0 | 0 | 0 | 116.5 | | |
| 570 | S | 28.9 | Very low | 29.2 | Very low | 106 Ų | 106 | 124.5 Ų | 124.5 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | | | trans | -169.4 | 135.1 | 147.9 | 56.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 571 | T | 29.7 | Very low | 29.2 | Very low | 118 Ų | 118 | 123.1 Ų | 123.1 | 72% | 0.724 | 77% | 0.77 | S | S | * | * | | | trans | 46.2 | 95 | 143.1 | 58.2 | 0 | 0 | 0 | 0 | 121.5 | | |
| 572 | S | 28.4 | Very low | 29.3 | Very low | 115 Ų | 115 | 122.4 Ų | 122.4 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | | 29.7 | 113.5 | 117.1 | 60.6 | 0 | 0 | 0 | 0 | 121.3 | | |
| 573 | S | 30.7 | Very low | 29 | Very low | 108 Ų | 108 | 120.1 Ų | 120.1 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | | | trans | -162.9 | 137.2 | 136.3 | 55.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 574 | S | 27.3 | Very low | 29.1 | Very low | 101 Ų | 101 | 121.3 Ų | 121.3 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | | | trans | 43.3 | 145.6 | 150.6 | 51.3 | 0 | 0 | 0 | 0 | 124.3 | | |
| 575 | T | 28.7 | Very low | 28.9 | Very low | 130 Ų | 130 | 124.6 Ų | 124.6 | 80% | 0.798 | 76% | 0.762 | S | S | * | * | | | trans | 70.7 | 113.5 | 150.2 | 44.7 | 0 | 0 | 0 | 0 | 121.9 | | |
| 576 | S | 26.4 | Very low | 29.2 | Very low | 103 Ų | 103 | 123.9 Ų | 123.9 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | | | trans | 55.2 | 107.4 | 131.6 | -177.9 | 0 | 0 | 0 | 0 | 121.2 | | |
| 577 | V | 29 | Very low | 29 | Very low | 143 Ų | 143 | 120.3 Ų | 120.3 | 87% | 0.867 | 74% | 0.742 | S | S | * | * | | | trans | -134.8 | 112 | 133.1 | -175.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 578 | V | 28.7 | Very low | 29 | Very low | 111 Ų | 111 | 123.1 Ų | 123.1 | 67% | 0.673 | 75% | 0.748 | S | S | * | * | | | trans | -92.9 | 130.6 | 169.8 | 175.4 | 0 | 0 | 0 | 0 | 108.8 | H580 | V578-H580 PolarHBondContact O-N 3.03Š|
| 579 | P | 30 | Very low | 28.9 | Very low | 106 Ų | 106 | 119.2 Ų | 119.2 | 69% | 0.688 | 74% | 0.74 | S | S | * | * | | | trans | -70.1 | 104.9 | 173.4 | 28.4 | -33.1 | 0 | 0 | 0 | 110.1 | I581 | P579-I581 VanDerWaalsContact C-N 3.34Å; P579-I581 PolarHBondContact O-N 2.82Å |
| 580 | H | 28.2 | Very low | 29.2 | Very low | 166 Ų | 166 | 123.7 Ų | 123.7 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | | | trans | -71.6 | 83.6 | -179.5 | -129.7 | -63.6 | 0 | 0 | 0 | 110.9 | V578 L582 | V578-H580 PolarHBondContact O-N 3.03Å; H580-L582 VanDerWaalsContact C-N 3.28Å; H580-L582 PolarHBondContact O-N 2.6Å |
| 581 | I | 31 | Very low | 29.4 | Very low | 156 Ų | 156 | 126.5 Ų | 126.5 | 80% | 0.8 | 75% | 0.752 | S | S | * | * | | | trans | -74.3 | 87.7 | 169.4 | -56.6 | -177.3 | 0 | 0 | 0 | 107.9 | P579 | P579-I581 VanDerWaalsContact C-N 3.34Å; P579-I581 PolarHBondContact O-N 2.82Å |
| 582 | L | 29.5 | Very low | 29.5 | Very low | 124 Ų | 124 | 125.9 Ų | 125.9 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | | | trans | -58.7 | 129.2 | 170.8 | -80.5 | 159.5 | 0 | 0 | 0 | 109.6 | H580 V584 | H580-L582 VanDerWaalsContact C-N 3.28Å; H580-L582 PolarHBondContact O-N 2.6Å; L582-V584 PolarHBondContact O-N 3.02Å |
| 583 | P | 27.1 | Very low | 29.6 | Very low | 115 Ų | 115 | 126.2 Ų | 126.2 | 75% | 0.747 | 75% | 0.748 | S | S | * | * | | | trans | -66.8 | 102 | 169.6 | 27.5 | -32.4 | 0 | 0 | 0 | 108.3 | N585 | P583-N585 PolarHBondContact O-N 3.37Š|
| 584 | V | 30.6 | Very low | 29.7 | Very low | 123 Ų | 123 | 128.4 Ų | 128.4 | 75% | 0.745 | 75% | 0.75 | S | S | * | * | | | trans | -65.9 | 99.3 | 175.8 | -179.4 | 0 | 0 | 0 | 0 | 107.6 | L582 I586 | L582-V584 PolarHBondContact O-N 3.02Å; V584-I586 VanDerWaalsContact C-N 3.31Å; V584-I586 HydrophobicContact CG1-CG1 4.02Å; V584-I586 PolarHBondContact O-N 3.27Å |
| 585 | N | 27.5 | Very low | 30 | Very low | 147 Ų | 147 | 131.1 Ų | 131.1 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | | | trans | -76 | 82.3 | -173.1 | -165.2 | -4.5 | 0 | 0 | 0 | 109.8 | P583 A587 | P583-N585 PolarHBondContact O-N 3.37Å; N585-A587 PolarHBondContact O-N 2.88Å |
| 586 | I | 32.8 | Very low | 30.1 | Very low | 150 Ų | 150 | 131.4 Ų | 131.4 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | | | trans | -73.8 | 69.1 | 177.3 | -49.9 | -178.9 | 0 | 0 | 0 | 109.3 | V584 | V584-I586 VanDerWaalsContact C-N 3.31Å; V584-I586 HydrophobicContact CG1-CG1 4.02Å; V584-I586 PolarHBondContact O-N 3.27Å |
| 587 | A | 27.7 | Very low | 30.3 | Very low | 67 Ų | 67 | 130.7 Ų | 130.7 | 55% | 0.554 | 75% | 0.751 | S | S | * | * | | | trans | -59.7 | 136.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | N585 A589 | N585-A587 PolarHBondContact O-N 2.88Å; A587-A589 PolarHBondContact O-N 2.88Å |
| 588 | P | 29.3 | Very low | 30.4 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 80% | 0.799 | 75% | 0.749 | S | S | * | * | | | trans | -64.2 | 115 | 178.8 | 25.9 | -33.4 | 0 | 0 | 0 | 109.5 | K590 | P588-K590 PolarHBondContact O-N 2.72Š|
| 589 | A | 30.4 | Very low | 30.6 | Very low | 88 Ų | 88 | 131.7 Ų | 131.7 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | trans | -57.9 | 114 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | A587 L591 | A587-A589 PolarHBondContact O-N 2.88Å; A589-L591 VanDerWaalsContact C-N 3.27Å; A589-L591 PolarHBondContact O-N 3.46Å |
| 590 | K | 31 | Very low | 30.5 | Very low | 198 Ų | 198 | 131 Ų | 131 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | | | trans | -65 | 88.7 | 170.5 | -76.4 | 179.9 | 177.2 | 173.4 | 0 | 108.9 | P588 T592 | P588-K590 PolarHBondContact O-N 2.72Å; K590-T592 PolarHBondContact O-N 3.41Å |
| 591 | L | 32.7 | Very low | 30.6 | Very low | 164 Ų | 164 | 128.3 Ų | 128.3 | 86% | 0.859 | 76% | 0.758 | S | S | * | * | | | trans | -70.8 | 85.3 | 167.7 | -74.5 | 176.5 | 0 | 0 | 0 | 109.2 | A589 | A589-L591 VanDerWaalsContact C-N 3.27Å; A589-L591 PolarHBondContact O-N 3.46Å |
| 592 | T | 33.1 | Very low | 30.5 | Very low | 105 Ų | 105 | 127.2 Ų | 127.2 | 64% | 0.644 | 76% | 0.759 | S | S | * | * | | | trans | -51.5 | 125.5 | 163.6 | -33.1 | 0 | 0 | 0 | 0 | 108.2 | K590 L594 | K590-T592 PolarHBondContact O-N 3.41Å; T592-L594 VanDerWaalsContact C-N 3.25Å; T592-L594 PolarHBondContact O-N 3.43Å |
| 593 | P | 30.3 | Very low | 30.7 | Very low | 122 Ų | 122 | 126.1 Ų | 126.1 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | | | trans | -72.4 | 86 | 174.6 | 29.5 | -33.4 | 0 | 0 | 0 | 108.9 | Q595 | P593-Q595 PolarHBondContact O-N 2.84Š|
| 594 | L | 32.5 | Very low | 31 | Very low | 154 Ų | 154 | 124.9 Ų | 124.9 | 81% | 0.806 | 76% | 0.756 | S | S | * | * | | | trans | -55.7 | 132.2 | 176.7 | -74 | 170.5 | 0 | 0 | 0 | 110.1 | T592 | T592-L594 VanDerWaalsContact C-N 3.25Å; T592-L594 PolarHBondContact O-N 3.43Å |
| 595 | Q | 32.9 | Very low | 30.9 | Very low | 158 Ų | 158 | 126.6 Ų | 126.6 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | | | trans | -65.6 | 144.6 | 173.8 | -69.8 | 170.2 | -112.1 | 0 | 0 | 110.3 | P593 S597 | P593-Q595 PolarHBondContact O-N 2.84Å; Q595-S597 VanDerWaalsContact C-N 3.32Å; Q595-S597 PolarHBondContact O-N 2.87Å |
| 596 | P | 31.9 | Very low | 31 | Very low | 137 Ų | 137 | 123 Ų | 123 | 89% | 0.89 | 75% | 0.745 | S | S | * | * | | | trans | -70 | 94.4 | 153.4 | 30.3 | -30.2 | 0 | 0 | 0 | 108 | | |
| 597 | S | 30.4 | Very low | 31 | Very low | 87 Ų | 87 | 123.9 Ų | 123.9 | 61% | 0.608 | 75% | 0.746 | S | S | * | * | | | trans | -127.6 | 63.6 | -175.4 | 61.3 | 0 | 0 | 0 | 0 | 112.6 | Q595 | Q595-S597 VanDerWaalsContact C-N 3.32Å; Q595-S597 PolarHBondContact O-N 2.87Å |
| 598 | I | 32.1 | Very low | 31.3 | Very low | 162 Ų | 162 | 126.5 Ų | 126.5 | 83% | 0.831 | 76% | 0.755 | S | S | * | * | | | trans | -150.6 | 141 | 165 | 16.5 | 173.9 | 0 | 0 | 0 | 108.1 | | |
| 599 | S | 30.9 | Very low | 31.2 | Very low | 113 Ų | 113 | 131.5 Ų | 131.5 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | | | cis | -132.8 | 158.4 | 4.1 | -63.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 600 | A | 28.6 | Very low | 31.3 | Very low | 93 Ų | 93 | 132.1 Ų | 132.1 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | | | trans | -92.7 | 158.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 601 | S | 30.4 | Very low | 31.4 | Very low | 109 Ų | 109 | 128.8 Ų | 128.8 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | | | trans | -151.4 | 104.8 | 154.4 | -65.4 | 0 | 0 | 0 | 0 | 104.6 | | |
| 602 | T | 29.7 | Very low | 31.4 | Very low | 132 Ų | 132 | 129.6 Ų | 129.6 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | | | | 53.2 | 127.3 | 94.2 | 61.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 603 | S | 33.5 | Very low | 31.3 | Very low | 101 Ų | 101 | 128.6 Ų | 128.6 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | | | cis | -155.4 | -175.6 | 28.7 | 57.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 604 | S | 32.4 | Very low | 31.5 | Very low | 89 Ų | 89 | 130.2 Ų | 130.2 | 62% | 0.622 | 74% | 0.74 | S | S | * | * | | | trans | 67.8 | 124.5 | 154.5 | 31.7 | 0 | 0 | 0 | 0 | 117.7 | | |
| 605 | I | 30.1 | Very low | 31.5 | Very low | 160 Ų | 160 | 128.2 Ų | 128.2 | 82% | 0.821 | 73% | 0.73 | S | S | * | * | | | | 67.3 | 125.1 | 62.3 | -62.8 | 164.7 | 0 | 0 | 0 | 110.3 | | |
| 606 | S | 29.1 | Very low | 31.5 | Very low | 70 Ų | 70 | 127.6 Ų | 127.6 | 49% | 0.49 | 73% | 0.732 | S | S | . | * | | | cis | -177.8 | 159.1 | -9.2 | 52.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 607 | H | 32.6 | Very low | 31.5 | Very low | 169 Ų | 169 | 125.8 Ų | 125.8 | 78% | 0.782 | 72% | 0.722 | S | S | * | * | | | trans | 65.2 | 166.1 | 164.3 | -47.8 | -50.9 | 0 | 0 | 0 | 114.5 | | |
| 608 | T | 33 | Very low | 31.3 | Very low | 122 Ų | 122 | 127.7 Ų | 127.7 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | | | cis | -152.8 | 133.5 | -14.4 | 0.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 609 | R | 28.6 | Very low | 31.1 | Very low | 229 Ų | 229 | 125.2 Ų | 125.2 | 86% | 0.864 | 73% | 0.726 | S | S | * | * | | | | 42.2 | 141.8 | 129.5 | -155.1 | -177.6 | -171.4 | -136.9 | 1.2 | 121.8 | | |
| 610 | S | 31.4 | Very low | 31 | Very low | 100 Ų | 100 | 126.9 Ų | 126.9 | 70% | 0.699 | 72% | 0.724 | S | S | * | * | | | trans | 81.5 | 153.7 | 157.3 | 88.4 | 0 | 0 | 0 | 0 | 116.6 | | |
| 611 | N | 33.7 | Very low | 30.9 | Very low | 129 Ų | 129 | 127.1 Ų | 127.1 | 69% | 0.69 | 72% | 0.721 | S | S | * | * | | | cis | -164.3 | 159.6 | -8.5 | -121.8 | 8.4 | 0 | 0 | 0 | 112.5 | | |
| 612 | F | 31.5 | Very low | 30.7 | Very low | 180 Ų | 180 | 126.5 Ų | 126.5 | 79% | 0.789 | 72% | 0.716 | S | S | * | * | | | trans | 65.5 | 169 | 158 | -77.9 | -134.5 | 0 | 0 | 0 | 118.5 | | |
| 613 | S | 32.8 | Very low | 30.6 | Very low | 85 Ų | 85 | 127.8 Ų | 127.8 | 59% | 0.594 | 71% | 0.713 | S | S | * | * | | | | -179.9 | 174.5 | -68.8 | 54.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 614 | Q | 34 | Very low | 30.4 | Very low | 155 Ų | 155 | 133.5 Ų | 133.5 | 72% | 0.724 | 72% | 0.719 | S | S | * | * | | | trans | 86.9 | 115.6 | 156.5 | -73.5 | -165.8 | 12.8 | 0 | 0 | 122.9 | | |
| 615 | N | 32.7 | Very low | 30.4 | Very low | 113 Ų | 113 | 135 Ų | 135 | 60% | 0.604 | 72% | 0.719 | S | S | * | * | | | | 94.3 | 118.9 | 125.2 | -62.6 | -4.1 | 0 | 0 | 0 | 122.7 | | |
| 616 | N | 32.5 | Very low | 30.6 | Very low | 145 Ų | 145 | 132.8 Ų | 132.8 | 78% | 0.775 | 72% | 0.715 | S | S | * | * | | | | 67.9 | 149.2 | 129.2 | -62 | -6.1 | 0 | 0 | 0 | 120.3 | | |
| 617 | S | 31.7 | Very low | 30.6 | Very low | 98 Ų | 98 | 134.1 Ų | 134.1 | 69% | 0.685 | 72% | 0.721 | S | S | * | * | | | cis | -166.5 | 155.3 | -15.3 | 47.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 618 | V | 27 | Very low | 30.5 | Very low | 128 Ų | 128 | 131.5 Ų | 131.5 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | | | trans | 6.2 | 122.4 | 149.5 | -171.8 | 0 | 0 | 0 | 0 | 117.8 | | |
| 619 | C | 28.1 | Very low | 30.3 | Very low | 110 Ų | 110 | 131 Ų | 131 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | | | | -176.4 | 123.6 | 126.7 | -105.1 | 0 | 0 | 0 | 0 | 116.2 | | |
| 620 | I | 27.6 | Very low | 30.3 | Very low | 147 Ų | 147 | 126.4 Ų | 126.4 | 75% | 0.754 | 71% | 0.714 | S | S | * | * | | | | 48.2 | 110.3 | 117.5 | -57.7 | 178.6 | 0 | 0 | 0 | 119.4 | | |
| 621 | S | 26.5 | Very low | 30.3 | Very low | 99 Ų | 99 | 130.4 Ų | 130.4 | 69% | 0.692 | 72% | 0.719 | S | S | * | * | | | trans | 70.1 | 130.4 | 133.5 | -155.9 | 0 | 0 | 0 | 0 | 122.6 | | |
| 622 | S | 25.9 | Very low | 30.1 | Very low | 96 Ų | 96 | 128.6 Ų | 128.6 | 67% | 0.671 | 72% | 0.716 | S | S | * | * | | | trans | 80.1 | 145.6 | 141.5 | -68 | 0 | 0 | 0 | 0 | 122.7 | | |
| 623 | H | 27.9 | Very low | 30.1 | Very low | 158 Ų | 158 | 127.8 Ų | 127.8 | 73% | 0.731 | 72% | 0.715 | S | S | * | * | | | trans | 75 | 123.3 | 149.6 | -77.6 | -42.8 | 0 | 0 | 0 | 122.5 | | |
| 624 | R | 29.2 | Very low | 30 | Very low | 221 Ų | 221 | 130.2 Ų | 130.2 | 83% | 0.834 | 73% | 0.729 | S | S | * | * | | | trans | 81.8 | 113.7 | 136.6 | -67.9 | 168.6 | -176.1 | -119 | 2.1 | 119.5 | | |
| 625 | L | 32.4 | Very low | 29.8 | Very low | 122 Ų | 122 | 127.1 Ų | 127.1 | 64% | 0.639 | 72% | 0.724 | S | S | * | * | | | trans | -51.8 | 154.7 | 144.1 | -67.8 | 146.6 | 0 | 0 | 0 | 110.8 | L962 | L625-L962 HydrophobicContact CD1-CD1 4.17Å; L625-L962 HydrophobicContact CD1-CD2 4.02Å; L625-L962 HydrophobicContact CD2-CD1 4.19Å |
| 626 | P | 35 | Very low | 29.7 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | | | | -147.3 | 131.7 | 102.5 | 37 | -20.7 | 0 | 0 | 0 | 116.9 | | |
| 627 | T | 29.4 | Very low | 29.8 | Very low | 99 Ų | 99 | 135.9 Ų | 135.9 | 61% | 0.607 | 74% | 0.744 | S | S | * | * | | | trans | 44.8 | 141.2 | 131.3 | 65.8 | 0 | 0 | 0 | 0 | 124.4 | | |
| 628 | S | 29.3 | Very low | 29.8 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | | | trans | 77 | 157 | 139 | 75.3 | 0 | 0 | 0 | 0 | 120 | | |
| 629 | S | 29.7 | Very low | 30 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | | | cis | -179.5 | -163.4 | -27.7 | -171.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 630 | I | 28.8 | Very low | 30.3 | Very low | 133 Ų | 133 | 146.6 Ų | 146.6 | 68% | 0.682 | 76% | 0.759 | S | S | * | * | | | trans | 82.8 | 138.1 | 155.9 | -23.1 | 178.5 | 0 | 0 | 0 | 118.4 | | |
| 631 | F | 31.3 | Very low | 30.7 | Very low | 184 Ų | 184 | 147.4 Ų | 147.4 | 81% | 0.807 | 76% | 0.757 | S | S | * | * | | | trans | 71.8 | 139.2 | 171.5 | -62.3 | -79.5 | 0 | 0 | 0 | 119 | | |
| 632 | S | 29.8 | Very low | 30.9 | Very low | 91 Ų | 91 | 149.2 Ų | 149.2 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | | | cis | -170.4 | 138.8 | -30.5 | -115.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 633 | Q | 30.4 | Very low | 31.2 | Very low | 163 Ų | 163 | 153.1 Ų | 153.1 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | | | trans | 60.2 | 138.3 | 161.8 | -54.3 | -171.9 | 30.8 | 0 | 0 | 119.7 | | |
| 634 | P | 31.5 | Very low | 31.5 | Very low | 137 Ų | 137 | 153 Ų | 153 | 89% | 0.89 | 77% | 0.766 | S | S | * | * | | | trans | -131.8 | 116.2 | 133.5 | 33.9 | -23.2 | 0 | 0 | 0 | 112.1 | | |
| 635 | S | 28.5 | Very low | 31.3 | Very low | 89 Ų | 89 | 146.2 Ų | 146.2 | 62% | 0.622 | 76% | 0.757 | S | S | * | * | | | trans | -151.9 | 147.9 | 170.3 | 86.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 636 | R | 31.9 | Very low | 31 | Very low | 231 Ų | 231 | 145.8 Ų | 145.8 | 87% | 0.872 | 77% | 0.765 | S | S | * | * | | | trans | 59.1 | 103.7 | 164.6 | -62.8 | -179.7 | 171.2 | -168.9 | 0.4 | 119.8 | | |
| 637 | K | 34.8 | Very low | 30.7 | Very low | 211 Ų | 211 | 145 Ų | 145 | 92% | 0.917 | 76% | 0.761 | S | S | * | * | | | | -174.9 | 127.4 | 120 | -95.1 | 152 | -173.7 | 177.4 | 0 | 107.7 | | |
| 638 | R | 31.5 | Very low | 30.8 | Very low | 242 Ų | 242 | 149.5 Ų | 149.5 | 91% | 0.913 | 77% | 0.773 | S | S | * | * | | | cis | 109.3 | 130.7 | 11.1 | -165.6 | -176.1 | -150.2 | -144.1 | 7.5 | 113.1 | | |
| 639 | A | 31.6 | Very low | 30.7 | Very low | 90 Ų | 90 | 148.7 Ų | 148.7 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | | | trans | 76.9 | 150.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 640 | R | 34.1 | Very low | 30.5 | Very low | 229 Ų | 229 | 147.9 Ų | 147.9 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | | | cis | -111.2 | 145.2 | 1.9 | -85.7 | -175.7 | 169.6 | 168.4 | -4 | 110.7 | | |
| 641 | K | 34.9 | Very low | 30.5 | Very low | 165 Ų | 165 | 147.9 Ų | 147.9 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | | | | 60.1 | 139.4 | 68.8 | -86.5 | -166.9 | 167.3 | -129 | 0 | 112.2 | | |
| 642 | Q | 31.3 | Very low | 30.2 | Very low | 137 Ų | 137 | 146.6 Ų | 146.6 | 64% | 0.64 | 77% | 0.766 | S | S | * | * | | | cis | -169.3 | 177.9 | -11.2 | -130.7 | 169.8 | -21.4 | 0 | 0 | 107.5 | | |
| 643 | Q | 31.4 | Very low | 30.1 | Very low | 177 Ų | 177 | 149.3 Ų | 149.3 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | | | trans | 66.8 | 145.7 | 172.2 | -67 | 168.3 | -50.5 | 0 | 0 | 115.5 | | |
| 644 | L | 34.2 | Very low | 29.9 | Very low | 155 Ų | 155 | 145.9 Ų | 145.9 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | | | cis | -136.6 | 150.2 | -9.6 | -112 | 161 | 0 | 0 | 0 | 109.3 | | |
| 645 | A | 25.7 | Very low | 29.6 | Very low | 79 Ų | 79 | 145.1 Ų | 145.1 | 65% | 0.653 | 76% | 0.757 | S | S | * | * | | | trans | -129.1 | 174 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 646 | S | 26.2 | Very low | 29.5 | Very low | 114 Ų | 114 | 147 Ų | 147 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | | | trans | 72.8 | 162.1 | 175.6 | 76 | 0 | 0 | 0 | 0 | 117.1 | | |
| 647 | S | 29.5 | Very low | 29 | Very low | 94 Ų | 94 | 141.4 Ų | 141.4 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | | | trans | 69.8 | 119.6 | -177.6 | -50.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 648 | F | 30.9 | Very low | 28.6 | Very low | 194 Ų | 194 | 136.5 Ų | 136.5 | 85% | 0.851 | 75% | 0.749 | S | S | * | * | | | cis | -132.8 | 148.4 | -2.8 | -65.4 | -85.9 | 0 | 0 | 0 | 107.9 | | |
| 649 | S | 27 | Very low | 28.2 | Very low | 97 Ų | 97 | 130.9 Ų | 130.9 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | | | cis | 94.4 | 125.7 | 33.5 | -163.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 650 | S | 25.3 | Very low | 27.9 | Very low | 93 Ų | 93 | 131.8 Ų | 131.8 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | | | trans | 53.6 | 88.2 | 145.5 | 58.1 | 0 | 0 | 0 | 0 | 121.5 | | |
| 651 | V | 29 | Very low | 27.5 | Very low | 134 Ų | 134 | 125.3 Ų | 125.3 | 81% | 0.812 | 73% | 0.732 | S | S | * | * | | | | -144.2 | 120.6 | 122.8 | -175.8 | 0 | 0 | 0 | 0 | 105.3 | I653 | V651-I653 HydrophobicContact CG1-CG1 4.08Š|
| 652 | M | 24.9 | Very low | 27 | Very low | 157 Ų | 157 | 122.9 Ų | 122.9 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | | | cis | 82.6 | 46.9 | 13.2 | -89.1 | -67.6 | -70 | 0 | 0 | 117.7 | | |
| 653 | I | 26.8 | Very low | 26.7 | Very low | 147 Ų | 147 | 122 Ų | 122 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | | | trans | -137.1 | 111.4 | 149.6 | -57.6 | 178.4 | 0 | 0 | 0 | 104.8 | V651 | V651-I653 HydrophobicContact CG1-CG1 4.08Š|
| 654 | T | 26.4 | Very low | 26.4 | Very low | 92 Ų | 92 | 117.9 Ų | 117.9 | 56% | 0.564 | 73% | 0.725 | S | S | * | * | | | cis | 85.7 | 123.2 | 33.2 | -46.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 655 | P | 25.9 | Very low | 26 | Very low | 121 Ų | 121 | 115.8 Ų | 115.8 | 79% | 0.786 | 72% | 0.719 | S | S | * | * | | | trans | -82.8 | 156.8 | -161 | 33.5 | -37.3 | 0 | 0 | 0 | 113.8 | | |
| 656 | V | 26.1 | Very low | 25.8 | Very low | 127 Ų | 127 | 118 Ų | 118 | 77% | 0.77 | 73% | 0.725 | S | S | * | * | | | trans | -126.8 | 102.6 | 173.8 | -179.4 | 0 | 0 | 0 | 0 | 109 | V658 | V656-V658 HydrophobicContact CG1-CG2 3.82Š|
| 657 | S | 22.3 | Very low | 25.8 | Very low | 114 Ų | 114 | 118.7 Ų | 118.7 | 80% | 0.797 | 72% | 0.724 | S | S | * | * | | | trans | -110.9 | 85.4 | 170.3 | 56.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 658 | V | 26.1 | Very low | 25.6 | Very low | 109 Ų | 109 | 118 Ų | 118 | 66% | 0.661 | 73% | 0.731 | S | S | * | * | | | trans | -139.6 | 120.9 | 170.5 | -138.1 | 0 | 0 | 0 | 0 | 103.7 | V656 | V656-V658 HydrophobicContact CG1-CG2 3.82Š|
| 659 | V | 23.2 | Very low | 25.3 | Very low | 124 Ų | 124 | 115.3 Ų | 115.3 | 75% | 0.752 | 73% | 0.725 | S | S | * | * | | | cis | 65.1 | 140.8 | 47.6 | -171.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 660 | S | 24.2 | Very low | 25.3 | Very low | 108 Ų | 108 | 115 Ų | 115 | 76% | 0.755 | 72% | 0.723 | S | S | * | * | | | trans | 69.4 | 137.9 | -170 | -56.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 661 | S | 25.4 | Very low | 25.2 | Very low | 94 Ų | 94 | 115.2 Ų | 115.2 | 66% | 0.657 | 73% | 0.725 | S | S | * | * | | | cis | -164.1 | 178.2 | -9.7 | 50.6 | 0 | 0 | 0 | 0 | 110 | | |
| 662 | T | 25.1 | Very low | 25 | Very low | 113 Ų | 113 | 115.7 Ų | 115.7 | 69% | 0.693 | 72% | 0.722 | S | S | * | * | | | trans | 33.6 | 128 | 143.5 | 53.9 | 0 | 0 | 0 | 0 | 118.9 | | |
| 663 | T | 25.7 | Very low | 25.2 | Very low | 118 Ų | 118 | 113.7 Ų | 113.7 | 72% | 0.724 | 72% | 0.718 | S | S | * | * | | | cis | -169.3 | 123 | 25.1 | 1.3 | 0 | 0 | 0 | 0 | 106.5 | | |
| 664 | S | 24.5 | Very low | 25.1 | Very low | 91 Ų | 91 | 113.5 Ų | 113.5 | 64% | 0.636 | 72% | 0.719 | S | S | * | * | | | | 90.1 | 166.2 | 93.5 | 74.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 665 | T | 25.3 | Very low | 25 | Very low | 112 Ų | 112 | 112.8 Ų | 112.8 | 69% | 0.687 | 72% | 0.718 | S | S | * | * | | | trans | 52.8 | 83.4 | 156.4 | 45 | 0 | 0 | 0 | 0 | 117 | | |
| 666 | T | 22.2 | Very low | 25 | Very low | 126 Ų | 126 | 112 Ų | 112 | 77% | 0.773 | 72% | 0.715 | S | S | * | * | | | | 67.6 | 102.4 | 87.4 | 62.1 | 0 | 0 | 0 | 0 | 115.5 | | |
| 667 | V | 26.7 | Very low | 25 | Very low | 127 Ų | 127 | 110.1 Ų | 110.1 | 77% | 0.77 | 71% | 0.707 | S | S | * | * | | | trans | -136.2 | 95.1 | 143.7 | -173.9 | 0 | 0 | 0 | 0 | 108.4 | L669 | V667-L669 HydrophobicContact CG1-CB 3.92Å; V667-L669 HydrophobicContact CG1-CD1 4.06Å; V667-L669 HydrophobicContact CG1-CG 4.06Å |
| 668 | G | 25.2 | Very low | 25.2 | Very low | 79 Ų | 79 | 111.6 Ų | 111.6 | 81% | 0.814 | 71% | 0.705 | S | S | * | * | | | trans | -101.9 | 95.7 | 158.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 669 | L | 24.8 | Very low | 25.2 | Very low | 139 Ų | 139 | 112.4 Ų | 112.4 | 73% | 0.728 | 71% | 0.706 | S | S | * | * | | | trans | -144.1 | 146.6 | -179.4 | -79.1 | -178.8 | 0 | 0 | 0 | 110.2 | V667 | V667-L669 HydrophobicContact CG1-CB 3.92Å; V667-L669 HydrophobicContact CG1-CD1 4.06Å; V667-L669 HydrophobicContact CG1-CG 4.06Å |
| 670 | S | 25.5 | Very low | 25.3 | Very low | 91 Ų | 91 | 111 Ų | 111 | 64% | 0.636 | 70% | 0.702 | S | S | * | * | | | trans | 48.1 | 118.9 | 145.9 | -42.6 | 0 | 0 | 0 | 0 | 117.3 | | |
| 671 | S | 23.6 | Very low | 25.5 | Very low | 97 Ų | 97 | 111.2 Ų | 111.2 | 68% | 0.678 | 70% | 0.698 | S | S | * | * | | | | 40.1 | 129.7 | 72.1 | 83.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 672 | L | 25 | Very low | 25.5 | Very low | 144 Ų | 144 | 110.1 Ų | 110.1 | 75% | 0.754 | 69% | 0.687 | S | S | * | * | | | | -174.1 | 164.3 | 108.6 | -139.7 | 67 | 0 | 0 | 0 | 109.7 | | |
| 673 | V | 29 | Very low | 25.5 | Very low | 115 Ų | 115 | 110 Ų | 110 | 70% | 0.697 | 69% | 0.691 | S | S | * | * | | | trans | 35 | 108.1 | 160.7 | -80.6 | 0 | 0 | 0 | 0 | 117.7 | | |
| 674 | N | 25.5 | Very low | 25.6 | Very low | 143 Ų | 143 | 107.8 Ų | 107.8 | 77% | 0.765 | 69% | 0.692 | S | S | * | * | | | cis | 41.9 | 113.6 | 46.2 | -160.2 | 31.8 | 0 | 0 | 0 | 110.8 | | |
| 675 | S | 24.5 | Very low | 25.7 | Very low | 77 Ų | 77 | 108.2 Ų | 108.2 | 54% | 0.538 | 69% | 0.694 | S | S | . | * | | | | 173.7 | 170.2 | 86.1 | -62.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 676 | S | 25.4 | Very low | 25.7 | Very low | 103 Ų | 103 | 114.2 Ų | 114.2 | 72% | 0.72 | 70% | 0.704 | S | S | * | * | | | trans | 49 | 135.3 | 134 | 67.4 | 0 | 0 | 0 | 0 | 120.4 | | |
| 677 | S | 25.7 | Very low | 25.8 | Very low | 88 Ų | 88 | 113 Ų | 113 | 62% | 0.615 | 70% | 0.701 | S | S | * | * | | | cis | 168.5 | 175.4 | 0.8 | 48.4 | 0 | 0 | 0 | 0 | 107 | | |
| 678 | L | 25.6 | Very low | 25.9 | Very low | 145 Ų | 145 | 112.9 Ų | 112.9 | 76% | 0.759 | 70% | 0.7 | S | S | * | * | | | trans | 69.1 | 148.4 | 163.9 | -52.8 | 165 | 0 | 0 | 0 | 113 | | |
| 679 | N | 26.3 | Very low | 26 | Very low | 126 Ų | 126 | 116.9 Ų | 116.9 | 67% | 0.674 | 70% | 0.702 | S | S | * | * | | | cis | -148.1 | 152.7 | -5 | -114.9 | -14.7 | 0 | 0 | 0 | 107.3 | | |
| 680 | S | 26.1 | Very low | 26.2 | Very low | 95 Ų | 95 | 115.7 Ų | 115.7 | 66% | 0.664 | 70% | 0.702 | S | S | * | * | | | | 58.9 | 131 | 72.4 | -147.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 681 | V | 27.2 | Very low | 26.4 | Very low | 112 Ų | 112 | 116.4 Ų | 116.4 | 68% | 0.679 | 71% | 0.707 | S | S | * | * | | | cis | -157.9 | 140.5 | 10.8 | 98.5 | 0 | 0 | 0 | 0 | 107.3 | | |
| 682 | V | 25.6 | Very low | 26.5 | Very low | 71 Ų | 71 | 118 Ų | 118 | 43% | 0.43 | 71% | 0.713 | S | S | . | * | | | | 55.1 | 146.7 | 96 | -169.3 | 0 | 0 | 0 | 0 | 115.6 | N523 | N523-V682 WeakPolarHBondContact ND2-CG2 3.24Š|
| 683 | S | 26.9 | Very low | 26.7 | Very low | 111 Ų | 111 | 116.8 Ų | 116.8 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | | | trans | 77.3 | 141.4 | 173.6 | -148.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 684 | G | 26.8 | Very low | 26.6 | Very low | 71 Ų | 71 | 117 Ų | 117 | 73% | 0.732 | 72% | 0.716 | S | S | * | * | | | cis | -174.8 | -172.3 | 1.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 685 | C | 26.3 | Very low | 26.4 | Very low | 100 Ų | 100 | 117.1 Ų | 117.1 | 68% | 0.676 | 72% | 0.716 | S | S | * | * | | | cis | -166.7 | 147.5 | -0.3 | -103.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 686 | R | 25.8 | Very low | 26.5 | Very low | 238 Ų | 238 | 120 Ų | 120 | 90% | 0.898 | 73% | 0.73 | S | S | * | * | | | trans | 63.7 | 166.2 | 153.9 | -63.7 | 171.3 | 179.5 | -133.4 | -1.1 | 116 | | |
| 687 | S | 24.6 | Very low | 26.4 | Very low | 101 Ų | 101 | 119.6 Ų | 119.6 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | | | cis | -162.3 | 161.4 | -29.8 | 46.9 | 0 | 0 | 0 | 0 | 105.9 | | |
| 688 | V | 28.3 | Very low | 26.4 | Very low | 125 Ų | 125 | 122.2 Ų | 122.2 | 76% | 0.758 | 74% | 0.744 | S | S | * | * | | | | -167.7 | 147 | 59 | 167.1 | 0 | 0 | 0 | 0 | 108.6 | | |
| 689 | L | 27.2 | Very low | 26.4 | Very low | 162 Ų | 162 | 119.5 Ų | 119.5 | 85% | 0.848 | 74% | 0.743 | S | S | * | * | | | trans | -86 | 142.6 | 166.3 | -107.6 | 72.5 | 0 | 0 | 0 | 110.6 | | |
| 690 | P | 29.2 | Very low | 26.5 | Very low | 115 Ų | 115 | 121.8 Ų | 121.8 | 75% | 0.747 | 75% | 0.747 | S | S | * | * | | | | -148.3 | 171.4 | 99.2 | 31.3 | -11.4 | 0 | 0 | 0 | 113.7 | | |
| 691 | S | 28.7 | Very low | 26.6 | Very low | 106 Ų | 106 | 123 Ų | 123 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | | | cis | -163 | 153.1 | -14.2 | 44.6 | 0 | 0 | 0 | 0 | 111 | | |
| 692 | T | 26.3 | Very low | 26.5 | Very low | 130 Ų | 130 | 122.4 Ų | 122.4 | 80% | 0.798 | 75% | 0.749 | S | S | * | * | | | trans | -62.9 | 177.4 | 155.3 | 46.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 693 | P | 30.2 | Very low | 26.6 | Very low | 118 Ų | 118 | 126.2 Ų | 126.2 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | | | cis | -135 | -152.1 | 15.3 | 42.4 | -19.3 | 0 | 0 | 0 | 112 | | |
| 694 | T | 25.3 | Very low | 26.5 | Very low | 121 Ų | 121 | 128.1 Ų | 128.1 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | | | cis | -154 | -176.3 | -0.2 | -153.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 695 | L | 22.8 | Very low | 26.4 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | | | trans | -51.4 | 154.1 | 168 | -52.5 | 160.8 | 0 | 0 | 0 | 115.6 | | |
| 696 | V | 26 | Very low | 26.5 | Very low | 137 Ų | 137 | 133.4 Ų | 133.4 | 83% | 0.83 | 77% | 0.769 | S | S | * | * | | | | -149.8 | 138 | 104.3 | 170.5 | 0 | 0 | 0 | 0 | 108 | V698 | V696-V698 HydrophobicContact CG1-CG2 4.08Š|
| 697 | A | 22.7 | Very low | 26.4 | Very low | 95 Ų | 95 | 130.8 Ų | 130.8 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | | | trans | -110.4 | 141.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 698 | V | 26.2 | Very low | 26.4 | Very low | 142 Ų | 142 | 135.1 Ų | 135.1 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | | | trans | -125 | 143.8 | 169.4 | -177.1 | 0 | 0 | 0 | 0 | 108.3 | V696 | V696-V698 HydrophobicContact CG1-CG2 4.08Š|
| 699 | A | 25.8 | Very low | 26.3 | Very low | 89 Ų | 89 | 133.2 Ų | 133.2 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | | | trans | -95.7 | 172.7 | -157.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 700 | K | 27.4 | Very low | 26.2 | Very low | 174 Ų | 174 | 133.4 Ų | 133.4 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | | | trans | -38 | 152.3 | 164.2 | -73.3 | 169.3 | 149.3 | -161.8 | 0 | 113.4 | T702 | K700-T702 WeakPolarHBondContact CD-OG1 3.4Å; K700-T702 PolarHBondContact NZ-OG1 3.07Å |
| 701 | P | 29.7 | Very low | 26.3 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | | | | -108.6 | 129.9 | 112 | 29.4 | -33.4 | 0 | 0 | 0 | 112.5 | | |
| 702 | T | 23.7 | Very low | 26 | Very low | 99 Ų | 99 | 133 Ų | 133 | 61% | 0.607 | 76% | 0.76 | S | S | * | * | | | trans | -88.7 | 117.4 | 167.8 | -51.2 | 0 | 0 | 0 | 0 | 107.8 | K700 | K700-T702 WeakPolarHBondContact CD-OG1 3.4Å; K700-T702 PolarHBondContact NZ-OG1 3.07Å |
| 703 | I | 27.9 | Very low | 26.1 | Very low | 151 Ų | 151 | 136.7 Ų | 136.7 | 77% | 0.774 | 76% | 0.761 | S | S | * | * | | | trans | -140.2 | 91.8 | 161.8 | -54.3 | -179.1 | 0 | 0 | 0 | 104.9 | | |
| 704 | Q | 26.2 | Very low | 25.7 | Very low | 150 Ų | 150 | 135.9 Ų | 135.9 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | | | | 68.8 | 113.6 | 87.5 | -166.9 | 174 | 11.6 | 0 | 0 | 112.1 | | |
| 705 | P | 23.4 | Very low | 25.7 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 128 | -176.5 | 32.2 | -33.1 | 0 | 0 | 0 | 111.3 | | |
| 706 | H | 28.5 | Very low | 25.7 | Very low | 158 Ų | 158 | 138.2 Ų | 138.2 | 73% | 0.731 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 116.4 | 169.6 | -108.2 | -66.1 | 0 | 0 | 0 | 111.5 | F708 | H706-F708 AromaticContact ND1-CD2 3.96Š|
| 707 | Q | 24 | Very low | 25.8 | Very low | 182 Ų | 182 | 138.1 Ų | 138.1 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 124.1 | 158.4 | -60 | 168 | -77.9 | 0 | 0 | 108.8 | | |
| 708 | F | 24.9 | Very low | 25.8 | Very low | 192 Ų | 192 | 139 Ų | 139 | 84% | 0.842 | 76% | 0.764 | S | S | * | * | | | trans | -175.4 | 139.7 | 156.4 | -84.6 | -70.5 | 0 | 0 | 0 | 106.1 | H706 | H706-F708 AromaticContact ND1-CD2 3.96Š|
| 709 | A | 27.2 | Very low | 25.9 | Very low | 86 Ų | 86 | 141.1 Ų | 141.1 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | | | cis | -158.4 | 170.3 | -20.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 710 | Q | 25 | Very low | 25.8 | Very low | 165 Ų | 165 | 141.9 Ų | 141.9 | 77% | 0.771 | 76% | 0.764 | S | S | * | * | | | trans | -72.6 | 148.4 | 165 | -72.9 | -178.1 | -24.1 | 0 | 0 | 110.8 | V712 | Q710-V712 HydrophobicContact CB-CG2 4.08Å; Q710-V712 HydrophobicContact CG-CG2 4.43Å |
| 711 | P | 29.5 | Very low | 25.9 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | | | | -119.9 | 151.8 | 98.3 | 0.1 | 20.5 | 0 | 0 | 0 | 111 | | |
| 712 | V | 23.8 | Very low | 25.5 | Very low | 95 Ų | 95 | 140.8 Ų | 140.8 | 58% | 0.576 | 76% | 0.762 | S | S | * | * | | | cis | 58.9 | 84.3 | 16.5 | -172.9 | 0 | 0 | 0 | 0 | 114.1 | Q710 | Q710-V712 HydrophobicContact CB-CG2 4.08Å; Q710-V712 HydrophobicContact CG-CG2 4.43Å |
| 713 | Y | 27.2 | Very low | 25.6 | Very low | 209 Ų | 209 | 142.4 Ų | 142.4 | 82% | 0.82 | 77% | 0.765 | S | S | * | * | | | trans | 174.3 | 104.7 | 146.2 | -89.5 | -64.7 | 0 | 0 | 0 | 104.8 | | |
| 714 | S | 23.2 | Very low | 25.5 | Very low | 101 Ų | 101 | 141 Ų | 141 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | | | | 55.5 | 80.9 | 57.2 | 86.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 715 | C | 24.4 | Very low | 25.5 | Very low | 126 Ų | 126 | 136.6 Ų | 136.6 | 85% | 0.851 | 76% | 0.764 | S | S | * | * | | | trans | -140.7 | 127.3 | 158.2 | -98.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 716 | Q | 23.3 | Very low | 25.6 | Very low | 189 Ų | 189 | 136.8 Ų | 136.8 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | | | trans | -79.9 | 137.4 | 170 | -62.8 | 162.7 | -54.1 | 0 | 0 | 108.8 | | |
| 717 | V | 27.1 | Very low | 25.6 | Very low | 134 Ų | 134 | 133.5 Ų | 133.5 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | | | trans | -133.9 | 84.6 | 162.1 | -173.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 718 | T | 23.6 | Very low | 25.8 | Very low | 114 Ų | 114 | 131.4 Ų | 131.4 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | | | trans | -64.9 | 138.8 | 153.6 | 46 | 0 | 0 | 0 | 0 | 109.5 | | |
| 719 | H | 28.1 | Very low | 26 | Very low | 186 Ų | 186 | 131 Ų | 131 | 86% | 0.861 | 75% | 0.754 | S | S | * | * | | | trans | -168.8 | 146 | 138.8 | -93.3 | -56.5 | 0 | 0 | 0 | 111 | | |
| 720 | S | 24.7 | Very low | 25.9 | Very low | 105 Ų | 105 | 132.4 Ų | 132.4 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | | | trans | -82.4 | 170.3 | -178.1 | -42.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 721 | P | 27.6 | Very low | 26.1 | Very low | 126 Ų | 126 | 127.5 Ų | 127.5 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | | | | -124.7 | 147.6 | 75.1 | 37.4 | -29.9 | 0 | 0 | 0 | 112.5 | | |
| 722 | H | 23.3 | Very low | 25.9 | Very low | 146 Ų | 146 | 128.5 Ų | 128.5 | 68% | 0.676 | 76% | 0.759 | S | S | * | * | | | cis | 76.1 | 95.8 | 38.2 | -167.2 | -77.8 | 0 | 0 | 0 | 115.4 | | |
| 723 | I | 25.1 | Very low | 26 | Very low | 133 Ų | 133 | 130.4 Ų | 130.4 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | | | trans | 34.1 | 100.3 | 145.3 | -40.9 | -179.4 | 0 | 0 | 0 | 117.8 | | |
| 724 | S | 25.4 | Very low | 25.8 | Very low | 122 Ų | 122 | 125.5 Ų | 125.5 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | | | | -174.1 | 147.8 | 109 | -81.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 725 | G | 26.1 | Very low | 26 | Very low | 58 Ų | 58 | 128 Ų | 128 | 60% | 0.598 | 78% | 0.777 | S | S | * | * | | | cis | 155.5 | 123.5 | -5.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 726 | S | 26.6 | Very low | 26.1 | Very low | 129 Ų | 129 | 128.3 Ų | 128.3 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | | | trans | 65.8 | 161.9 | -176.6 | 85.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 727 | S | 27.8 | Very low | 26.2 | Very low | 89 Ų | 89 | 122.5 Ų | 122.5 | 62% | 0.622 | 75% | 0.751 | S | S | * | * | | | cis | -147 | 138.3 | 7.5 | 85.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 728 | I | 27.8 | Very low | 26.2 | Very low | 137 Ų | 137 | 122.8 Ų | 122.8 | 70% | 0.703 | 75% | 0.753 | S | S | * | * | | | trans | 78.4 | 113.6 | 134.8 | -66.8 | 167.7 | 0 | 0 | 0 | 119.5 | | |
| 729 | K | 29.9 | Very low | 26.3 | Very low | 183 Ų | 183 | 125.6 Ų | 125.6 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | | | trans | 65.2 | 115.3 | 151.2 | -64.4 | 168.9 | -172.4 | 177.6 | 0 | 117.9 | | |
| 730 | S | 25 | Very low | 26.2 | Very low | 117 Ų | 117 | 127.6 Ų | 127.6 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | | | cis | 79.5 | 102.6 | 46.3 | 82.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 731 | G | 27.8 | Very low | 26.2 | Very low | 61 Ų | 61 | 128.7 Ų | 128.7 | 63% | 0.629 | 75% | 0.749 | S | S | * | * | | | trans | -174.4 | 122.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 732 | P | 25.3 | Very low | 26.1 | Very low | 139 Ų | 139 | 129.6 Ų | 129.6 | 90% | 0.903 | 75% | 0.752 | S | S | * | * | | | trans | -77.3 | 129.8 | 177.4 | 31.2 | -32.3 | 0 | 0 | 0 | 109.9 | | |
| 733 | V | 26 | Very low | 26.1 | Very low | 135 Ų | 135 | 126 Ų | 126 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | | | trans | -123.3 | 121.4 | 174.8 | -178.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 734 | S | 24.5 | Very low | 26 | Very low | 106 Ų | 106 | 125.8 Ų | 125.8 | 74% | 0.741 | 75% | 0.749 | S | S | * | * | | | trans | -63.3 | 132.8 | -178.8 | -56.4 | 0 | 0 | 0 | 0 | 111.8 | D736 | S734-D736 VanDerWaalsContact C-N 3.33Å; S734-D736 PolarHBondContact O-N 3.43Å |
| 735 | V | 25.6 | Very low | 25.9 | Very low | 152 Ų | 152 | 125.5 Ų | 125.5 | 92% | 0.921 | 74% | 0.742 | S | S | * | * | | | trans | -86 | 82.6 | 160.4 | -177 | 0 | 0 | 0 | 0 | 107.2 | | |
| 736 | D | 27.4 | Very low | 25.8 | Very low | 133 Ų | 133 | 129.9 Ų | 129.9 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | | | trans | -89.6 | 161.3 | 174.8 | -146.2 | -25.3 | 0 | 0 | 0 | 111.7 | S734 | S734-D736 VanDerWaalsContact C-N 3.33Å; S734-D736 PolarHBondContact O-N 3.43Å |
| 737 | S | 25.1 | Very low | 25.6 | Very low | 67 Ų | 67 | 128.6 Ų | 128.6 | 47% | 0.469 | 74% | 0.741 | S | S | . | * | | | trans | -73.1 | 126.4 | -155.6 | -58 | 0 | 0 | 0 | 0 | 114.5 | | |
| 738 | V | 28.4 | Very low | 25.4 | Very low | 140 Ų | 140 | 129.7 Ų | 129.7 | 85% | 0.848 | 74% | 0.744 | S | S | * | * | | | trans | -130.5 | 112.6 | 163.7 | -178 | 0 | 0 | 0 | 0 | 111.4 | | |
| 739 | Y | 23.9 | Very low | 25.1 | Very low | 174 Ų | 174 | 129 Ų | 129 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | | | trans | -61 | 140 | 165.3 | -87.4 | -121.4 | 0 | 0 | 0 | 111.4 | L54 | L54-Y739 HydrophobicContact CD1-CE2 4Š|
| 740 | R | 26 | Very low | 24.9 | Very low | 228 Ų | 228 | 125 Ų | 125 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | | | | 179.2 | 161 | 129.5 | -101.6 | 163.3 | -167.4 | -153.6 | 2.9 | 114.6 | | |
| 741 | N | 25.3 | Very low | 24.8 | Very low | 127 Ų | 127 | 124.6 Ų | 124.6 | 68% | 0.679 | 75% | 0.749 | S | S | * | * | | | trans | 57.5 | 79.4 | 156.5 | -62 | 10.4 | 0 | 0 | 0 | 119.1 | S743 | N741-S743 PolarHBondContact O-N 2.96Š|
| 742 | T | 25.6 | Very low | 24.7 | Very low | 145 Ų | 145 | 128 Ų | 128 | 89% | 0.89 | 76% | 0.758 | S | S | * | * | | | trans | -82 | 52.7 | 140 | 42.6 | 0 | 0 | 0 | 0 | 110.8 | T744 | T742-T744 PolarHBondContact O-N 3.38Å; T742-T744 VanDerWaalsContact O-N 3.16Å |
| 743 | S | 23.8 | Very low | 24.6 | Very low | 72 Ų | 72 | 127 Ų | 127 | 50% | 0.503 | 75% | 0.754 | S | S | . | * | | | trans | -77.5 | 94.5 | 174 | -55 | 0 | 0 | 0 | 0 | 109.1 | N741 T745 | N741-S743 PolarHBondContact O-N 2.96Å; S743-T745 VanDerWaalsContact C-N 3.25Å; S743-T745 PolarHBondContact O-N 2.89Å |
| 744 | T | 23.5 | Very low | 24.7 | Very low | 127 Ų | 127 | 127.3 Ų | 127.3 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | | | trans | -74.2 | 78.7 | 172.5 | 48.1 | 0 | 0 | 0 | 0 | 110.7 | T742 I746 | T742-T744 PolarHBondContact O-N 3.38Å; T742-T744 VanDerWaalsContact O-N 3.16Å; T744-I746 PolarHBondContact O-N 3.45Å |
| 745 | T | 23.3 | Very low | 24.8 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 72% | 0.718 | 76% | 0.757 | S | S | * | * | | | trans | -65.9 | 92.8 | 169.3 | 20 | 0 | 0 | 0 | 0 | 110.3 | S743 S747 | S743-T745 VanDerWaalsContact C-N 3.25Å; S743-T745 PolarHBondContact O-N 2.89Å; T745-S747 PolarHBondContact O-N 3.12Å |
| 746 | I | 23.4 | Very low | 24.9 | Very low | 149 Ų | 149 | 126.3 Ų | 126.3 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | | | trans | -78.7 | 79.3 | 168 | -62.9 | -178.8 | 0 | 0 | 0 | 108.2 | T744 V748 | T744-I746 PolarHBondContact O-N 3.45Å; I746-V748 HydrophobicContact CG2-CG2 3.81Å; I746-V748 PolarHBondContact O-N 3.43Å; I746-V748 VanDerWaalsContact O-N 3.12Å |
| 747 | S | 22 | Very low | 25 | Very low | 102 Ų | 102 | 125.5 Ų | 125.5 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | | | trans | -74.8 | 91.5 | 174.6 | -59.8 | 0 | 0 | 0 | 0 | 110.5 | T745 | T745-S747 PolarHBondContact O-N 3.12Š|
| 748 | V | 24.4 | Very low | 25.1 | Very low | 112 Ų | 112 | 129.8 Ų | 129.8 | 68% | 0.679 | 78% | 0.775 | S | S | * | * | | | trans | -100.1 | 93.8 | 172.2 | 177.1 | 0 | 0 | 0 | 0 | 110 | I746 C750 | I746-V748 HydrophobicContact CG2-CG2 3.81Å; I746-V748 PolarHBondContact O-N 3.43Å; I746-V748 VanDerWaalsContact O-N 3.12Å; V748-C750 PolarHBondContact O-N 2.91Å |
| 749 | S | 21.6 | Very low | 25.2 | Very low | 122 Ų | 122 | 129.2 Ų | 129.2 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | | | trans | -79.5 | 106.9 | 173.4 | -59.4 | 0 | 0 | 0 | 0 | 111 | | |
| 750 | C | 26 | Very low | 25.6 | Very low | 101 Ų | 101 | 124.5 Ų | 124.5 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | | | trans | -140.7 | 71.7 | 167.3 | 55 | 0 | 0 | 0 | 0 | 112.1 | V748 T752 | V748-C750 PolarHBondContact O-N 2.91Å; C750-T752 PolarHBondContact O-N 3.33Å |
| 751 | A | 22.4 | Very low | 25.8 | Very low | 107 Ų | 107 | 121.6 Ų | 121.6 | 88% | 0.884 | 78% | 0.782 | S | S | * | * | | | trans | -68.8 | 114.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 752 | T | 26.2 | Very low | 25.9 | Very low | 132 Ų | 132 | 124 Ų | 124 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | | | trans | -148 | 121.6 | 163.1 | -43.8 | 0 | 0 | 0 | 0 | 108.9 | C750 | C750-T752 PolarHBondContact O-N 3.33Š|
| 753 | S | 22.9 | Very low | 26.1 | Very low | 119 Ų | 119 | 120.5 Ų | 120.5 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | | | trans | -86.6 | 129.6 | -168.7 | 42.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 754 | V | 27.2 | Very low | 26.2 | Very low | 141 Ų | 141 | 124.5 Ų | 124.5 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | | | trans | -137.1 | 117.9 | 158 | -171.3 | 0 | 0 | 0 | 0 | 107.9 | | |
| 755 | S | 26.5 | Very low | 26.5 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | | | trans | -79.1 | 157.1 | -177.7 | 31.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 756 | P | 27.3 | Very low | 26.7 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | | | trans | -87 | 156.3 | -157.6 | 33.5 | -37.3 | 0 | 0 | 0 | 115 | | |
| 757 | S | 30.2 | Very low | 26.9 | Very low | 115 Ų | 115 | 129.9 Ų | 129.9 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | -143.9 | 96.5 | 159 | 49.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 758 | N | 27.3 | Very low | 27 | Very low | 157 Ų | 157 | 130.8 Ų | 130.8 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | | | trans | 34.6 | 128.4 | 157.6 | -62.5 | -15.1 | 0 | 0 | 0 | 121.7 | | |
| 759 | S | 31.6 | Very low | 27.2 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | | | trans | 97.7 | 122.8 | 151.7 | 79.1 | 0 | 0 | 0 | 0 | 120 | | |
| 760 | G | 30.5 | Very low | 27.4 | Very low | 75 Ų | 75 | 135.5 Ų | 135.5 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | | | trans | 101.5 | 68.3 | 143.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | M762 | G760-M762 PolarHBondContact O-N 2.86Š|
| 761 | L | 30.1 | Very low | 27.4 | Very low | 166 Ų | 166 | 134.8 Ų | 134.8 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | | | trans | -69.9 | 121.4 | 162.6 | -77.8 | 174.8 | 0 | 0 | 0 | 111.4 | G763 | L761-G763 PolarHBondContact O-N 3.46Š|
| 762 | M | 28.9 | Very low | 27.6 | Very low | 179 Ų | 179 | 136 Ų | 136 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | | | trans | -88.2 | 94.9 | -175.1 | -176.9 | 164.7 | 59.5 | 0 | 0 | 112.4 | G760 I764 | G760-M762 PolarHBondContact O-N 2.86Å; M762-I764 PolarHBondContact O-N 3.39Å |
| 763 | G | 28.5 | Very low | 27.7 | Very low | 70 Ų | 70 | 136.6 Ų | 136.6 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | | | trans | -72.2 | 117.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | L761 R765 | L761-G763 PolarHBondContact O-N 3.46Å; G763-R765 PolarHBondContact O-N 3.36Å |
| 764 | I | 27.6 | Very low | 27.9 | Very low | 156 Ų | 156 | 137.3 Ų | 137.3 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | | | trans | -70.7 | 122.8 | 179.5 | -59 | 174.6 | 0 | 0 | 0 | 110.8 | M762 | M762-I764 PolarHBondContact O-N 3.39Š|
| 765 | R | 28 | Very low | 28.1 | Very low | 226 Ų | 226 | 137 Ų | 137 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | | | trans | -104.8 | 118.3 | 169.6 | -67.4 | -172.2 | -178.3 | -138.7 | 1 | 110.8 | G763 V767 | G763-R765 PolarHBondContact O-N 3.36Å; R765-V767 PolarHBondContact O-N 3.38Å |
| 766 | L | 27.6 | Very low | 28.2 | Very low | 162 Ų | 162 | 137.3 Ų | 137.3 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | | | trans | -74.9 | 109.6 | 169.9 | -65.9 | 175.6 | 0 | 0 | 0 | 110.3 | | |
| 767 | V | 28.1 | Very low | 28.2 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 72% | 0.721 | 81% | 0.809 | S | S | * | * | | | trans | -94.1 | 116 | 176.7 | -178.2 | 0 | 0 | 0 | 0 | 109.7 | R765 V769 | R765-V767 PolarHBondContact O-N 3.38Å; V767-V769 HydrophobicContact CG1-CG2 3.89Å; V767-V769 PolarHBondContact O-N 3.41Å |
| 768 | S | 25.2 | Very low | 28.2 | Very low | 120 Ų | 120 | 138 Ų | 138 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | | | trans | -78.5 | 104.3 | 169.6 | -172.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 769 | V | 27.7 | Very low | 28.2 | Very low | 126 Ų | 126 | 137.5 Ų | 137.5 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | | | trans | -95.2 | 131 | 173.2 | -173.3 | 0 | 0 | 0 | 0 | 108.8 | V767 | V767-V769 HydrophobicContact CG1-CG2 3.89Å; V767-V769 PolarHBondContact O-N 3.41Å |
| 770 | R | 25.2 | Very low | 28 | Very low | 207 Ų | 207 | 138.1 Ų | 138.1 | 78% | 0.781 | 80% | 0.799 | S | S | * | * | | | trans | -116.2 | 130.2 | 174.2 | -157.4 | 177 | -167.8 | 136.6 | 7 | 109.2 | | |
| 771 | S | 25.7 | Very low | 27.9 | Very low | 86 Ų | 86 | 140 Ų | 140 | 60% | 0.601 | 80% | 0.8 | S | S | * | * | | | trans | -62.1 | 132.3 | 177.7 | 31.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 772 | T | 27.9 | Very low | 27.6 | Very low | 133 Ų | 133 | 137.1 Ų | 137.1 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | | | trans | -142.5 | 139.6 | 159.6 | 44.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 773 | T | 27.7 | Very low | 27.5 | Very low | 144 Ų | 144 | 136.6 Ų | 136.6 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | | | trans | -72.9 | 155.3 | -169 | 35.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 774 | T | 27.7 | Very low | 27.5 | Very low | 134 Ų | 134 | 139.8 Ų | 139.8 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | | | trans | -95.8 | 148.2 | -162.3 | 44.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 775 | T | 30.1 | Very low | 27.3 | Very low | 134 Ų | 134 | 138.8 Ų | 138.8 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | | | trans | -140.6 | 111.6 | 158.4 | 28.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 776 | S | 29.9 | Very low | 27.1 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | 44.9 | 115.8 | 157.4 | 56.7 | 0 | 0 | 0 | 0 | 120.6 | | |
| 777 | V | 27.7 | Very low | 27 | Very low | 135 Ų | 135 | 132.5 Ų | 132.5 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | -97.5 | 150.3 | 170.6 | 172 | 0 | 0 | 0 | 0 | 110.9 | | |
| 778 | P | 29.7 | Very low | 27 | Very low | 122 Ų | 122 | 131.1 Ų | 131.1 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | | | trans | -102.8 | 140 | 149.3 | 34.9 | -28.4 | 0 | 0 | 0 | 111.4 | | |
| 779 | N | 26.4 | Very low | 27.1 | Very low | 147 Ų | 147 | 130.4 Ų | 130.4 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | | | trans | -87.2 | 179.7 | -168.9 | -156.9 | 3.1 | 0 | 0 | 0 | 113.3 | | |
| 780 | N | 27.6 | Very low | 26.9 | Very low | 142 Ų | 142 | 134 Ų | 134 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | | | trans | 84.8 | 81.6 | 169.7 | -55.6 | -2.5 | 0 | 0 | 0 | 117.2 | | |
| 781 | S | 28.2 | Very low | 27 | Very low | 114 Ų | 114 | 132.5 Ų | 132.5 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | | | trans | -146.4 | 79.9 | 144.8 | 64 | 0 | 0 | 0 | 0 | 110.6 | I783 | S781-I783 PolarHBondContact O-N 2.8Š|
| 782 | S | 25.2 | Very low | 27 | Very low | 107 Ų | 107 | 132.7 Ų | 132.7 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | | | trans | -72.1 | 110.7 | 170.9 | 51 | 0 | 0 | 0 | 0 | 110.2 | | |
| 783 | I | 27.1 | Very low | 26.8 | Very low | 167 Ų | 167 | 131.2 Ų | 131.2 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | | | trans | -88.7 | 104.5 | 159.1 | -64.4 | -179.7 | 0 | 0 | 0 | 106.3 | S781 | S781-I783 PolarHBondContact O-N 2.8Š|
| 784 | L | 26.9 | Very low | 26.9 | Very low | 137 Ų | 137 | 131.7 Ų | 131.7 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | | | trans | -67.7 | 141 | 169.2 | -110.1 | 70.9 | 0 | 0 | 0 | 109.8 | | |
| 785 | L | 24.2 | Very low | 26.8 | Very low | 136 Ų | 136 | 128.9 Ų | 128.9 | 71% | 0.712 | 76% | 0.76 | S | S | * | * | | | trans | -2.9 | 130 | 141.4 | -58.2 | 162.1 | 0 | 0 | 0 | 115.5 | | |
| 786 | N | 24.6 | Very low | 26.6 | Very low | 137 Ų | 137 | 127.7 Ų | 127.7 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | | | trans | -132.2 | 62.2 | 130 | -159 | 38.6 | 0 | 0 | 0 | 111.2 | T788 | N786-T788 VanDerWaalsContact C-N 3.34Å; N786-T788 PolarHBondContact O-N 3.29Å; N786-T788 WeakPolarHBondContact OD1-CG2 3.45Å; N786-T788 PolarHBondContact OD1-OG1 3.27Å |
| 787 | T | 23.9 | Very low | 26.5 | Very low | 119 Ų | 119 | 128 Ų | 128 | 73% | 0.73 | 75% | 0.749 | S | S | * | * | | | trans | -83.7 | 81.7 | 162.1 | 49.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 788 | T | 28.6 | Very low | 26.6 | Very low | 89 Ų | 89 | 123 Ų | 123 | 55% | 0.546 | 73% | 0.725 | S | S | . | * | | | trans | -120.6 | 118.3 | 170 | 54.3 | 0 | 0 | 0 | 0 | 109.2 | N786 | N786-T788 VanDerWaalsContact C-N 3.34Å; N786-T788 PolarHBondContact O-N 3.29Å; N786-T788 WeakPolarHBondContact OD1-CG2 3.45Å; N786-T788 PolarHBondContact OD1-OG1 3.27Å |
| 789 | C | 26.5 | Very low | 26.6 | Very low | 106 Ų | 106 | 122.1 Ų | 122.1 | 72% | 0.716 | 72% | 0.717 | S | S | * | * | | | trans | 24.8 | 123.5 | 150.1 | 64.4 | 0 | 0 | 0 | 0 | 118.4 | | |
| 790 | F | 24.4 | Very low | 26.7 | Very low | 201 Ų | 201 | 126.8 Ų | 126.8 | 88% | 0.882 | 72% | 0.724 | S | S | * | * | | | | 34.5 | 90 | 81.5 | -88.3 | -79.4 | 0 | 0 | 0 | 113 | | |
| 791 | Q | 27.7 | Very low | 26.8 | Very low | 176 Ų | 176 | 123.3 Ų | 123.3 | 82% | 0.822 | 72% | 0.722 | S | S | * | * | | | trans | -150 | 150.6 | 132.4 | -154.5 | 60.7 | 12 | 0 | 0 | 109.4 | | |
| 792 | S | 24.9 | Very low | 26.8 | Very low | 89 Ų | 89 | 123.2 Ų | 123.2 | 62% | 0.622 | 72% | 0.721 | S | S | * | * | | | trans | -61.9 | 159.3 | 179.1 | 52.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 793 | S | 25.1 | Very low | 27.1 | Very low | 102 Ų | 102 | 124.3 Ų | 124.3 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | | | trans | 14.2 | 132.2 | 137.1 | -43.5 | 0 | 0 | 0 | 0 | 118.8 | | |
| 794 | I | 27.8 | Very low | 27.2 | Very low | 154 Ų | 154 | 119.4 Ų | 119.4 | 79% | 0.79 | 71% | 0.714 | S | S | * | * | | | | -176.3 | 103.1 | 120.4 | -87.4 | 146.4 | 0 | 0 | 0 | 108.9 | | |
| 795 | G | 26.5 | Very low | 27.3 | Very low | 76 Ų | 76 | 119.9 Ų | 119.9 | 78% | 0.784 | 72% | 0.717 | S | S | * | * | | | | -109.6 | 150.5 | 120.2 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 796 | S | 25.7 | Very low | 27.5 | Very low | 108 Ų | 108 | 119.5 Ų | 119.5 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | | | cis | -159.3 | 133.7 | 4 | 140.1 | 0 | 0 | 0 | 0 | 108.5 | | |
| 797 | L | 29.1 | Very low | 27.8 | Very low | 124 Ų | 124 | 118 Ų | 118 | 65% | 0.649 | 72% | 0.717 | S | S | * | * | | | trans | -162.4 | 146.4 | 151.8 | -143.4 | 72.3 | 0 | 0 | 0 | 113.5 | P267 | P267-L797 WeakPolarHBondContact CD-O 3.41Å; P267-L797 VanDerWaalsContact CG-O 3.24Å; P267-L797 WeakPolarHBondContact CG-O 2.94Å |
| 798 | G | 29.3 | Very low | 27.8 | Very low | 30 Ų | 30 | 118.7 Ų | 118.7 | 31% | 0.309 | 72% | 0.72 | S | S | . | * | | | trans | -68.5 | 178.8 | 152.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A266 | A266-G798 CarbonylContact O-C 3.35Š|
| 799 | T | 29.3 | Very low | 27.8 | Very low | 104 Ų | 104 | 120.8 Ų | 120.8 | 64% | 0.638 | 73% | 0.732 | S | S | * | * | | | cis | -169.6 | 145.1 | -5.3 | 14.7 | 0 | 0 | 0 | 0 | 109.5 | A266 | A266-T799 CarbonylContact O-C 3.44Å; A266-T799 VanDerWaalsContact O-CA 3.29Å; A266-T799 WeakPolarHBondContact O-CA 3.49Å; A266-T799 PolarHBondContact O-N 2.87Å |
| 800 | R | 28 | Very low | 27.6 | Very low | 245 Ų | 245 | 123.5 Ų | 123.5 | 93% | 0.925 | 74% | 0.737 | S | S | * | * | | | trans | 79.6 | 132.2 | 143.6 | -159.2 | -177.1 | -165.6 | -160.8 | 3.9 | 120.6 | | |
| 801 | G | 30.1 | Very low | 27.8 | Very low | 69 Ų | 69 | 119.8 Ų | 119.8 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | | | trans | 121.6 | 108.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 802 | S | 28.3 | Very low | 27.9 | Very low | 112 Ų | 112 | 117.4 Ų | 117.4 | 78% | 0.783 | 73% | 0.728 | S | S | * | * | | | | 68.9 | 129.1 | 73.9 | -145.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 803 | T | 30.2 | Very low | 27.9 | Very low | 130 Ų | 130 | 118.4 Ų | 118.4 | 80% | 0.798 | 74% | 0.735 | S | S | * | * | | | cis | -160.2 | 143.5 | 13.1 | -22.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 804 | G | 30.5 | Very low | 28.2 | Very low | 64 Ų | 64 | 119.4 Ų | 119.4 | 66% | 0.66 | 74% | 0.739 | S | S | * | * | | | trans | 66.6 | 172.6 | 173 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 805 | D | 29.1 | Very low | 28.2 | Very low | 147 Ų | 147 | 117 Ų | 117 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | | | cis | -172.9 | 156.4 | -14 | -120.8 | 38.3 | 0 | 0 | 0 | 107.6 | | |
| 806 | N | 28.8 | Very low | 28.4 | Very low | 127 Ų | 127 | 122.2 Ų | 122.2 | 68% | 0.679 | 74% | 0.739 | S | S | * | * | | | cis | -160.6 | 178.2 | -10.8 | -150.9 | -42.8 | 0 | 0 | 0 | 109.7 | | |
| 807 | S | 30 | Very low | 28.5 | Very low | 107 Ų | 107 | 125.3 Ų | 125.3 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | | | trans | 77.6 | 144 | 163 | 78.8 | 0 | 0 | 0 | 0 | 120.6 | | |
| 808 | V | 23.9 | Very low | 28.6 | Very low | 132 Ų | 132 | 125.8 Ų | 125.8 | 80% | 0.8 | 75% | 0.752 | S | S | * | * | | | trans | -141.7 | 143.9 | -177.3 | 169.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 809 | V | 28.3 | Very low | 28.6 | Very low | 133 Ų | 133 | 129.5 Ų | 129.5 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | | | trans | -138.2 | 132.1 | 165.5 | -177.2 | 0 | 0 | 0 | 0 | 110.9 | V811 | V809-V811 HydrophobicContact CG1-CG2 4.39Š|
| 810 | M | 23.5 | Very low | 28.6 | Very low | 164 Ų | 164 | 130.2 Ų | 130.2 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | | | trans | -113.2 | 142.7 | 166.9 | -68.1 | -167.5 | -61.4 | 0 | 0 | 110.7 | | |
| 811 | V | 28.5 | Very low | 28.8 | Very low | 122 Ų | 122 | 122.5 Ų | 122.5 | 74% | 0.739 | 78% | 0.779 | S | S | * | * | | | trans | -147.6 | 104.8 | 161.5 | -174.1 | 0 | 0 | 0 | 0 | 105.7 | V809 | V809-V811 HydrophobicContact CG1-CG2 4.39Š|
| 812 | T | 28.4 | Very low | 28.7 | Very low | 127 Ų | 127 | 122.5 Ų | 122.5 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | | | | 64.5 | 147.9 | 70.8 | 66.1 | 0 | 0 | 0 | 0 | 115.8 | | |
| 813 | S | 25.1 | Very low | 28.9 | Very low | 110 Ų | 110 | 126.6 Ų | 126.6 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | | | trans | -144.8 | 158 | -160.9 | 55.2 | 0 | 0 | 0 | 0 | 114.5 | | |
| 814 | P | 32.3 | Very low | 28.6 | Very low | 122 Ų | 122 | 130 Ų | 130 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | | | trans | -133.9 | 163.6 | 154 | 36.1 | -22 | 0 | 0 | 0 | 113 | | |
| 815 | S | 27.3 | Very low | 28.5 | Very low | 103 Ų | 103 | 132.8 Ų | 132.8 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | | | cis | 118 | 107 | -1.1 | -68.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 816 | Q | 31.7 | Very low | 28.4 | Very low | 186 Ų | 186 | 131.5 Ų | 131.5 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | | | trans | -179.2 | 131.2 | 157.5 | -98.4 | 158.4 | 55.6 | 0 | 0 | 107.4 | | |
| 817 | M | 26.5 | Very low | 28.4 | Very low | 173 Ų | 173 | 130.5 Ų | 130.5 | 85% | 0.852 | 78% | 0.783 | S | S | * | * | | | | 74.2 | 137.5 | 51.8 | -60.2 | -177.8 | 72.4 | 0 | 0 | 112.4 | | |
| 818 | V | 32.7 | Very low | 28.3 | Very low | 134 Ų | 134 | 130.2 Ų | 130.2 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | | | cis | -149.3 | 163.4 | 31 | 177.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 819 | S | 28.6 | Very low | 28.6 | Very low | 108 Ų | 108 | 132.5 Ų | 132.5 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | | | trans | -78.9 | 179.2 | 177.8 | -55 | 0 | 0 | 0 | 0 | 116.7 | | |
| 820 | S | 28.9 | Very low | 28.5 | Very low | 119 Ų | 119 | 130 Ų | 130 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | | | cis | 176.1 | 153.9 | -32.1 | 65.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 821 | G | 31.5 | Very low | 28.6 | Very low | 83 Ų | 83 | 125.5 Ų | 125.5 | 86% | 0.856 | 76% | 0.755 | S | S | * | * | | | trans | 147.8 | 153 | 153.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 822 | G | 29.8 | Very low | 28.5 | Very low | 70 Ų | 70 | 129.3 Ų | 129.3 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | | | trans | 118.4 | 112.6 | 145.4 | 0 | 0 | 0 | 0 | 0 | 123.2 | | |
| 823 | H | 31.2 | Very low | 28.4 | Very low | 198 Ų | 198 | 128.9 Ų | 128.9 | 92% | 0.917 | 77% | 0.767 | S | S | * | * | | | trans | 76 | 176.6 | 145 | -60.3 | -76 | 0 | 0 | 0 | 123.7 | | |
| 824 | R | 25 | Very low | 28.6 | Very low | 201 Ų | 201 | 127.6 Ų | 127.6 | 76% | 0.758 | 76% | 0.763 | S | S | * | * | | | trans | -144 | -175.3 | -135 | -161.6 | -176 | -178 | -157.4 | 3.4 | 114.5 | R534 | R534-R824 VanDerWaalsContact NH1-C 3.29Å; R534-R824 PolarHBondContact NH1-O 3.32Å |
| 825 | I | 27.7 | Very low | 28.3 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 63% | 0.626 | 76% | 0.757 | S | S | * | * | | | trans | 101.1 | 166.9 | 164.1 | -56.8 | 167.6 | 0 | 0 | 0 | 115.7 | R534 | R534-I825 WeakPolarHBondContact CD-O 3.47Å; R534-I825 PolarHBondContact NH1-O 3.48Å |
| 826 | T | 27.5 | Very low | 28.3 | Very low | 120 Ų | 120 | 128 Ų | 128 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | | | trans | -130.4 | 149.7 | -135.5 | 48.4 | 0 | 0 | 0 | 0 | 118.2 | | |
| 827 | S | 27.7 | Very low | 28.2 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | | | trans | 27.6 | 132.9 | 145.3 | 64.5 | 0 | 0 | 0 | 0 | 123.7 | | |
| 828 | S | 28.7 | Very low | 28.2 | Very low | 101 Ų | 101 | 125.9 Ų | 125.9 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | | | | 174.3 | 139.3 | 122.8 | 58.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 829 | H | 29.7 | Very low | 28 | Very low | 180 Ų | 180 | 125.7 Ų | 125.7 | 83% | 0.833 | 74% | 0.736 | S | S | * | * | | | trans | 51.5 | 169.4 | 145.6 | -65.8 | -53.1 | 0 | 0 | 0 | 121.8 | | |
| 830 | C | 25.6 | Very low | 28 | Very low | 79 Ų | 79 | 129.8 Ų | 129.8 | 53% | 0.534 | 74% | 0.743 | S | S | . | * | | | | -165.3 | 151.3 | -52.8 | -105.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 831 | S | 26.1 | Very low | 27.9 | Very low | 70 Ų | 70 | 131 Ų | 131 | 49% | 0.49 | 75% | 0.746 | S | S | . | * | | | trans | 53.4 | 118.3 | 150.7 | -53.4 | 0 | 0 | 0 | 0 | 121.6 | | |
| 832 | Q | 27.4 | Very low | 27.6 | Very low | 202 Ų | 202 | 131.2 Ų | 131.2 | 94% | 0.944 | 74% | 0.74 | S | S | * | * | | | | -169.7 | 172.1 | 106.6 | -101.5 | 178.8 | 19 | 0 | 0 | 111.9 | | |
| 833 | S | 25.3 | Very low | 27.3 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 83% | 0.825 | 74% | 0.741 | S | S | * | * | | | trans | -155.6 | 139.5 | -165.5 | -177.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 834 | A | 28.9 | Very low | 27 | Very low | 84 Ų | 84 | 128.4 Ų | 128.4 | 69% | 0.694 | 73% | 0.732 | S | S | * | * | | | trans | -161.1 | 121.2 | 160.9 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 835 | D | 27.3 | Very low | 26.9 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 67% | 0.668 | 74% | 0.736 | S | S | * | * | | | | 70.2 | 133.4 | 77.7 | -71.3 | -16.2 | 0 | 0 | 0 | 113.2 | | |
| 836 | I | 27.3 | Very low | 26.9 | Very low | 109 Ų | 109 | 129 Ų | 129 | 56% | 0.559 | 74% | 0.741 | S | S | * | * | | | cis | -155.6 | 143.8 | 3.9 | -116.5 | 160 | 0 | 0 | 0 | 110.9 | | |
| 837 | H | 28.4 | Very low | 26.7 | Very low | 169 Ų | 169 | 130.7 Ų | 130.7 | 78% | 0.782 | 74% | 0.744 | S | S | * | * | | | trans | 43 | 131.5 | 156.1 | -68.4 | -135.6 | 0 | 0 | 0 | 122.7 | | |
| 838 | Q | 27.5 | Very low | 26.7 | Very low | 144 Ų | 144 | 130.7 Ų | 130.7 | 67% | 0.673 | 74% | 0.74 | S | S | * | * | | | trans | -142.8 | 133.1 | 142 | -165.7 | 169.1 | 20.4 | 0 | 0 | 109.6 | | |
| 839 | T | 28.1 | Very low | 26.6 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 80% | 0.798 | 75% | 0.745 | S | S | * | * | | | trans | -87.6 | 131.7 | -171.3 | -15.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 840 | Q | 29.3 | Very low | 26.4 | Very low | 194 Ų | 194 | 128.3 Ų | 128.3 | 91% | 0.907 | 74% | 0.738 | S | S | * | * | | | trans | -98.5 | 118.2 | 167.9 | -77.8 | -169.6 | -14.1 | 0 | 0 | 111.1 | A842 | Q840-A842 PolarHBondContact O-N 2.92Š|
| 841 | T | 25.1 | Very low | 26.5 | Very low | 144 Ų | 144 | 131 Ų | 131 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | | | trans | -81.9 | 105.6 | 177.3 | -6.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 842 | A | 26.2 | Very low | 26.6 | Very low | 89 Ų | 89 | 136 Ų | 136 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | | | trans | -80.8 | 116.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q840 V844 | Q840-A842 PolarHBondContact O-N 2.92Å; A842-V844 PolarHBondContact O-N 3.08Å |
| 843 | A | 23.4 | Very low | 26.7 | Very low | 90 Ų | 90 | 131.9 Ų | 131.9 | 74% | 0.744 | 75% | 0.751 | S | S | * | * | | | trans | -73.8 | 120.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 844 | V | 24.3 | Very low | 26.7 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 72% | 0.721 | 75% | 0.75 | S | S | * | * | | | trans | -107.1 | 112 | 173.6 | 179.7 | 0 | 0 | 0 | 0 | 108.8 | A842 V846 | A842-V844 PolarHBondContact O-N 3.08Å; V844-V846 PolarHBondContact O-N 2.97Å |
| 845 | Y | 24.2 | Very low | 26.7 | Very low | 218 Ų | 218 | 137 Ų | 137 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | | | trans | -70.1 | 112.1 | 173.6 | -75.1 | -93.2 | 0 | 0 | 0 | 110.2 | L847 | Y845-L847 PolarHBondContact O-N 3.27Š|
| 846 | V | 26 | Very low | 26.7 | Very low | 118 Ų | 118 | 136.6 Ų | 136.6 | 72% | 0.715 | 76% | 0.763 | S | S | * | * | | | trans | -88.3 | 103.8 | 170.6 | -178 | 0 | 0 | 0 | 0 | 108.5 | V844 T848 | V844-V846 PolarHBondContact O-N 2.97Å; V846-T848 HydrophobicContact CG1-CG2 4.12Å; V846-T848 PolarHBondContact O-N 3.3Å; V846-T848 VanDerWaalsContact O-N 3.13Å |
| 847 | L | 24.5 | Very low | 26.7 | Very low | 154 Ų | 154 | 136.9 Ų | 136.9 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | | | trans | -75.3 | 94 | 170.5 | -92.3 | 158.5 | 0 | 0 | 0 | 109.8 | Y845 T849 | Y845-L847 PolarHBondContact O-N 3.27Å; L847-T849 PolarHBondContact O-N 3Å; L847-T849 VanDerWaalsContact O-N 3.09Å |
| 848 | T | 27.4 | Very low | 26.7 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 66% | 0.663 | 78% | 0.775 | S | S | * | * | | | trans | -75.2 | 88.2 | 170.8 | 50.7 | 0 | 0 | 0 | 0 | 110.3 | V846 S850 | V846-T848 HydrophobicContact CG1-CG2 4.12Å; V846-T848 PolarHBondContact O-N 3.3Å; V846-T848 VanDerWaalsContact O-N 3.13Å; T848-S850 VanDerWaalsContact C-N 3.27Å; T848-S850 PolarHBondContact O-N 2.79Å |
| 849 | T | 26.6 | Very low | 26.6 | Very low | 134 Ų | 134 | 134.9 Ų | 134.9 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | | | trans | -77.7 | 75 | 175.8 | 54.5 | 0 | 0 | 0 | 0 | 111.3 | L847 | L847-T849 PolarHBondContact O-N 3Å; L847-T849 VanDerWaalsContact O-N 3.09Å |
| 850 | S | 25.8 | Very low | 26.6 | Very low | 97 Ų | 97 | 135.6 Ų | 135.6 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | | | trans | -132.4 | 77.8 | 172.1 | 59.6 | 0 | 0 | 0 | 0 | 109.7 | T848 | T848-S850 VanDerWaalsContact C-N 3.27Å; T848-S850 PolarHBondContact O-N 2.79Å |
| 851 | V | 27.9 | Very low | 26.4 | Very low | 134 Ų | 134 | 132.5 Ų | 132.5 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | | | trans | -114.8 | 93.4 | 177 | -176.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 852 | Y | 26.8 | Very low | 26.6 | Very low | 176 Ų | 176 | 131.4 Ų | 131.4 | 69% | 0.69 | 78% | 0.776 | S | S | * | * | | | trans | -95.8 | 120.4 | 161 | -90.1 | -84.4 | 0 | 0 | 0 | 108.4 | I854 | Y852-I854 PolarHBondContact O-N 3.03Š|
| 853 | P | 29.4 | Very low | 26.6 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | | | trans | -78.5 | 111.4 | 171.1 | 30.8 | -30.7 | 0 | 0 | 0 | 109.5 | | |
| 854 | I | 25.9 | Very low | 26.8 | Very low | 156 Ų | 156 | 134.6 Ų | 134.6 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | | | trans | -96.6 | 106.3 | 163.8 | -60.7 | 177.4 | 0 | 0 | 0 | 107 | Y852 | Y852-I854 PolarHBondContact O-N 3.03Š|
| 855 | L | 28.2 | Very low | 26.9 | Very low | 153 Ų | 153 | 133.2 Ų | 133.2 | 80% | 0.801 | 77% | 0.772 | S | S | * | * | | | trans | -126.5 | 123.8 | 167.2 | -133.5 | 80.4 | 0 | 0 | 0 | 108.4 | | |
| 856 | S | 28.8 | Very low | 27.1 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | | | trans | -143.4 | 117.9 | 168 | -71 | 0 | 0 | 0 | 0 | 107.1 | | |
| 857 | T | 26 | Very low | 27.2 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | trans | -98.3 | 138 | -168.8 | 49.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 858 | T | 29.9 | Very low | 27.3 | Very low | 146 Ų | 146 | 124.7 Ų | 124.7 | 90% | 0.896 | 78% | 0.775 | S | S | * | * | | | trans | -142.9 | 116.1 | 156.9 | 9.6 | 0 | 0 | 0 | 0 | 110 | | |
| 859 | T | 25 | Very low | 27.3 | Very low | 125 Ų | 125 | 124.3 Ų | 124.3 | 77% | 0.767 | 78% | 0.777 | S | S | * | * | | | trans | -131.4 | 117 | 177.5 | -33.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 860 | V | 27.5 | Very low | 27.3 | Very low | 144 Ų | 144 | 126.7 Ų | 126.7 | 87% | 0.873 | 78% | 0.778 | S | S | * | * | | | trans | -142.7 | 128.9 | 159.1 | -169.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 861 | T | 25.3 | Very low | 27.3 | Very low | 129 Ų | 129 | 127.9 Ų | 127.9 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | | | trans | -108.3 | 142.6 | 173.6 | 46.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 862 | S | 29.3 | Very low | 27.1 | Very low | 121 Ų | 121 | 127.6 Ų | 127.6 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | | | trans | -140.1 | 132 | 160.6 | 46.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 863 | S | 26.1 | Very low | 27.1 | Very low | 107 Ų | 107 | 124.8 Ų | 124.8 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | | | trans | -87.2 | 179 | 173 | 55 | 0 | 0 | 0 | 0 | 110.4 | | |
| 864 | N | 28.1 | Very low | 26.9 | Very low | 140 Ų | 140 | 124.6 Ų | 124.6 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | | | cis | -162.2 | 159.1 | 15.9 | -148.7 | 11 | 0 | 0 | 0 | 114.1 | | |
| 865 | S | 26.7 | Very low | 26.9 | Very low | 90 Ų | 90 | 121.6 Ų | 121.6 | 63% | 0.629 | 79% | 0.79 | S | S | * | * | | | trans | 35.5 | 118.2 | 142.9 | 64.5 | 0 | 0 | 0 | 0 | 124.3 | | |
| 866 | S | 28.2 | Very low | 26.9 | Very low | 112 Ų | 112 | 119.8 Ų | 119.8 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | | | | -179.5 | 106.5 | 126.2 | 48.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 867 | S | 27.4 | Very low | 26.7 | Very low | 121 Ų | 121 | 119.8 Ų | 119.8 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | | | | 61 | 105 | 94.8 | 70.4 | 0 | 0 | 0 | 0 | 116.4 | | |
| 868 | G | 27.6 | Very low | 26.7 | Very low | 77 Ų | 77 | 122 Ų | 122 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | | | trans | 176.9 | 114.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 869 | S | 27.1 | Very low | 26.6 | Very low | 101 Ų | 101 | 122.6 Ų | 122.6 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | | | trans | -32.3 | 140.8 | 173.2 | 48.8 | 0 | 0 | 0 | 0 | 120.7 | | |
| 870 | E | 25.5 | Very low | 26.6 | Very low | 183 Ų | 183 | 121.3 Ų | 121.3 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | | | trans | 54.2 | 123.8 | 131.4 | -55.8 | 171.6 | 152.4 | 0 | 0 | 119.1 | | |
| 871 | S | 26.7 | Very low | 26.6 | Very low | 122 Ų | 122 | 119.9 Ų | 119.9 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | | | | -176.3 | 171 | 66.7 | 42.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 872 | T | 24.2 | Very low | 26.7 | Very low | 129 Ų | 129 | 120.1 Ų | 120.1 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | | | trans | -62.6 | 141.5 | -169.3 | 47.4 | 0 | 0 | 0 | 0 | 119.4 | | |
| 873 | C | 25.5 | Very low | 26.6 | Very low | 116 Ų | 116 | 120.3 Ų | 120.3 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | | | | -177.7 | 124 | 122.3 | -95.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 874 | S | 25.3 | Very low | 26.8 | Very low | 112 Ų | 112 | 121.5 Ų | 121.5 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | | | | 66.2 | 127.3 | 72.5 | -59.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 875 | A | 26.5 | Very low | 26.9 | Very low | 92 Ų | 92 | 120 Ų | 120 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | | | cis | -160.1 | -173 | -12.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 876 | S | 28.9 | Very low | 27.1 | Very low | 116 Ų | 116 | 118.9 Ų | 118.9 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | | | cis | -157.4 | 167 | 8.7 | -104.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 877 | S | 24.1 | Very low | 27.1 | Very low | 118 Ų | 118 | 119.7 Ų | 119.7 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | trans | -123.8 | 138.2 | 175.4 | -57.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 878 | I | 26.9 | Very low | 27.3 | Very low | 161 Ų | 161 | 120.1 Ų | 120.1 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | | | trans | -120.8 | 115.5 | 172.6 | -60.7 | -179.6 | 0 | 0 | 0 | 109.9 | | |
| 879 | I | 26.5 | Very low | 27.4 | Very low | 159 Ų | 159 | 124.1 Ų | 124.1 | 82% | 0.815 | 79% | 0.788 | S | S | * | * | | | trans | -99.4 | 123.5 | 172.1 | -62 | 170.4 | 0 | 0 | 0 | 107.7 | | |
| 880 | S | 26 | Very low | 27.4 | Very low | 98 Ų | 98 | 123.2 Ų | 123.2 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | | | trans | -105.4 | 124.6 | 170.9 | -69.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 881 | P | 27 | Very low | 27.6 | Very low | 114 Ų | 114 | 120.8 Ų | 120.8 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | | | trans | -78.5 | 130.4 | -176.9 | 30.7 | -34 | 0 | 0 | 0 | 111.9 | | |
| 882 | V | 28.1 | Very low | 27.6 | Very low | 134 Ų | 134 | 122.6 Ų | 122.6 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | | | trans | -89.1 | 107.1 | 168 | 178.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 883 | V | 27.2 | Very low | 27.8 | Very low | 124 Ų | 124 | 124.4 Ų | 124.4 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | | | trans | -72.1 | 125.2 | 177.5 | 178.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 884 | V | 29.7 | Very low | 27.9 | Very low | 133 Ų | 133 | 123.5 Ų | 123.5 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | | | trans | -101.9 | 105.5 | 174.5 | -178.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 885 | S | 30.2 | Very low | 28 | Very low | 107 Ų | 107 | 128.3 Ų | 128.3 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 146.9 | 169.1 | -72.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 886 | G | 31.1 | Very low | 28.1 | Very low | 67 Ų | 67 | 131.8 Ų | 131.8 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 166.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 887 | P | 28.4 | Very low | 28.2 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 140.1 | -160.3 | 33.4 | -35.8 | 0 | 0 | 0 | 114.7 | | |
| 888 | T | 30.8 | Very low | 28.4 | Very low | 131 Ų | 131 | 136.6 Ų | 136.6 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | -127.9 | 126.9 | 153.2 | 48.7 | 0 | 0 | 0 | 0 | 109.7 | G890 | T888-G890 PolarHBondContact O-N 2.97Š|
| 889 | N | 30.1 | Very low | 28.6 | Very low | 160 Ų | 160 | 135.1 Ų | 135.1 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 52.6 | 48.6 | 163.2 | -58.6 | -10.5 | 0 | 0 | 0 | 118.7 | V891 | N889-V891 PolarHBondContact O-N 3.32Š|
| 890 | G | 27.5 | Very low | 28.8 | Very low | 82 Ų | 82 | 135.3 Ų | 135.3 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 73.2 | 1.9 | 131.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | T888 | T888-G890 PolarHBondContact O-N 2.97Š|
| 891 | V | 29.7 | Very low | 29 | Very low | 132 Ų | 132 | 136.5 Ų | 136.5 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | | | trans | -130.9 | 97.7 | 176 | -174.1 | 0 | 0 | 0 | 0 | 111.2 | N889 | N889-V891 PolarHBondContact O-N 3.32Š|
| 892 | L | 26.4 | Very low | 29.1 | Very low | 161 Ų | 161 | 138.4 Ų | 138.4 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | | | trans | -92.6 | 105.2 | 172.6 | -96.5 | 168.4 | 0 | 0 | 0 | 111.2 | V894 | L892-V894 PolarHBondContact O-N 3.32Å; L892-V894 VanDerWaalsContact O-N 3.07Å |
| 893 | Q | 27.2 | Very low | 29.1 | Very low | 166 Ų | 166 | 138.4 Ų | 138.4 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | trans | -79.6 | 83.2 | 179.1 | -170.4 | -177.9 | 50.4 | 0 | 0 | 111.5 | R895 | Q893-R895 PolarHBondContact O-N 3.35Å; Q893-R895 VanDerWaalsContact O-N 3.14Å |
| 894 | V | 28.3 | Very low | 29.3 | Very low | 97 Ų | 97 | 137.8 Ų | 137.8 | 59% | 0.588 | 79% | 0.788 | S | S | * | * | | | trans | -71 | 107.2 | 176.4 | -176.3 | 0 | 0 | 0 | 0 | 110.4 | L892 F896 | L892-V894 PolarHBondContact O-N 3.32Å; L892-V894 VanDerWaalsContact O-N 3.07Å; V894-F896 HydrophobicContact CB-CE2 4.43Å; V894-F896 HydrophobicContact CG1-CD2 4.24Å; V894-F896 HydrophobicContact CG1-CE1 4.24Å; V894-F896 HydrophobicContact CG1-CE2 3.73Å; V894-F896 HydrophobicContact CG1-CZ 3.73Å |
| 895 | R | 27.7 | Very low | 29.3 | Very low | 214 Ų | 214 | 136.8 Ų | 136.8 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | | | trans | -103.1 | 88.3 | -175.7 | -164.9 | 177 | -166.8 | 166.7 | 3.9 | 111.3 | Q893 R897 | Q893-R895 PolarHBondContact O-N 3.35Å; Q893-R895 VanDerWaalsContact O-N 3.14Å; R895-R897 PolarHBondContact O-N 3.25Å |
| 896 | F | 29 | Very low | 29.1 | Very low | 164 Ų | 164 | 137.3 Ų | 137.3 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 129.9 | 174.3 | -61.1 | -84.1 | 0 | 0 | 0 | 111.2 | V894 | V894-F896 HydrophobicContact CB-CE2 4.43Å; V894-F896 HydrophobicContact CG1-CD2 4.24Å; V894-F896 HydrophobicContact CG1-CE1 4.24Å; V894-F896 HydrophobicContact CG1-CE2 3.73Å; V894-F896 HydrophobicContact CG1-CZ 3.73Å |
| 897 | R | 30.2 | Very low | 29.1 | Very low | 230 Ų | 230 | 141 Ų | 141 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 141.1 | 163.5 | -75.6 | -175.5 | 172 | -177.9 | -1.9 | 108.8 | R895 | R895-R897 PolarHBondContact O-N 3.25Š|
| 898 | S | 27.9 | Very low | 29.1 | Very low | 105 Ų | 105 | 142.6 Ų | 142.6 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 146.7 | 166.9 | 49.5 | 0 | 0 | 0 | 0 | 110.4 | Q900 | S898-Q900 PolarHBondContact O-N 3.19Š|
| 899 | P | 31.3 | Very low | 29.1 | Very low | 130 Ų | 130 | 141.6 Ų | 141.6 | 84% | 0.844 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -62 | 127.3 | 177.9 | -20.7 | 32.6 | 0 | 0 | 0 | 111.5 | | |
| 900 | Q | 30.7 | Very low | 29.2 | Very low | 164 Ų | 164 | 141.6 Ų | 141.6 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 146.8 | 154.7 | -76.4 | -178.6 | -83.4 | 0 | 0 | 108.6 | S898 N902 | S898-Q900 PolarHBondContact O-N 3.19Å; Q900-N902 PolarHBondContact O-N 3.21Å |
| 901 | P | 30 | Very low | 29.5 | Very low | 123 Ų | 123 | 142.8 Ų | 142.8 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | | | trans | -70.3 | 95.3 | 171.1 | 29.7 | -33.2 | 0 | 0 | 0 | 109.2 | V903 | P901-V903 PolarHBondContact O-N 2.75Š|
| 902 | N | 30.3 | Very low | 29.7 | Very low | 154 Ų | 154 | 144.6 Ų | 144.6 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | | | trans | -82 | 112.9 | 179.6 | -128.7 | 20.9 | 0 | 0 | 0 | 109.4 | Q900 | Q900-N902 PolarHBondContact O-N 3.21Š|
| 903 | V | 28.3 | Very low | 30.1 | Very low | 133 Ų | 133 | 143.8 Ų | 143.8 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 125.8 | 179.4 | -177 | 0 | 0 | 0 | 0 | 109.5 | P901 | P901-V903 PolarHBondContact O-N 2.75Š|
| 904 | S | 30.8 | Very low | 30.5 | Very low | 111 Ų | 111 | 139.1 Ų | 139.1 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 137.2 | 175.4 | -59.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 905 | P | 29.7 | Very low | 30.8 | Very low | 112 Ų | 112 | 142 Ų | 142 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 142.8 | -168 | 34.6 | -36.1 | 0 | 0 | 0 | 116.1 | | |
| 906 | T | 26.4 | Very low | 31.1 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 73% | 0.73 | 74% | 0.74 | S | S | * | * | | | trans | 49.8 | 120.1 | 132.6 | -46 | 0 | 0 | 0 | 0 | 121.8 | M908 | T906-M908 HydrophobicContact CG2-CG 4.26Š|
| 907 | V | 29.5 | Very low | 31.4 | Very low | 145 Ų | 145 | 135.6 Ų | 135.6 | 88% | 0.879 | 74% | 0.744 | S | S | * | * | | | trans | -128.6 | 151.5 | 135.3 | -178.5 | 0 | 0 | 0 | 0 | 107.4 | | |
| 908 | M | 28.5 | Very low | 31.4 | Very low | 161 Ų | 161 | 132.5 Ų | 132.5 | 79% | 0.793 | 74% | 0.739 | S | S | * | * | | | trans | -87.8 | 179.3 | -169.9 | -52.5 | -170.1 | -67.5 | 0 | 0 | 113.1 | T906 | T906-M908 HydrophobicContact CG2-CG 4.26Š|
| 909 | T | 31.5 | Very low | 31.6 | Very low | 111 Ų | 111 | 133.4 Ų | 133.4 | 68% | 0.681 | 74% | 0.739 | S | S | * | * | | | | -173.4 | 132.7 | 76.5 | -71.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 910 | E | 31.8 | Very low | 31.7 | Very low | 160 Ų | 160 | 133.3 Ų | 133.3 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | | | trans | 48.6 | 154.2 | 152.6 | -69 | -178.8 | 106.9 | 0 | 0 | 122.5 | | |
| 911 | N | 33.7 | Very low | 31.7 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 57% | 0.572 | 73% | 0.726 | S | S | * | * | | | cis | -159.5 | 153.2 | 0.4 | -120.9 | -27.4 | 0 | 0 | 0 | 114 | | |
| 912 | Q | 35.2 | Very low | 31.9 | Very low | 170 Ų | 170 | 130.4 Ų | 130.4 | 79% | 0.794 | 72% | 0.721 | S | S | * | * | | | trans | 49.3 | 151.4 | 151.6 | -61.2 | -177.4 | 23.2 | 0 | 0 | 121.6 | | |
| 913 | E | 33.9 | Very low | 32 | Very low | 143 Ų | 143 | 129 Ų | 129 | 67% | 0.668 | 71% | 0.713 | S | S | * | * | | | cis | -165.4 | 172.5 | -13.4 | -120.2 | -124.1 | 130.6 | 0 | 0 | 105.9 | K915 | E913-K915 VanDerWaalsContact CD-NZ 3.28Å; E913-K915 IonicContact OE1-NZ 2.97Å; E913-K915 PolarHBondContact OE1-NZ 3.46Å; E913-K915 IonicContact OE2-NZ 2.65Å; E913-K915 PolarHBondContact OE2-NZ 3.42Å |
| 914 | S | 35 | Very low | 32.2 | Very low | 69 Ų | 69 | 129.6 Ų | 129.6 | 48% | 0.483 | 71% | 0.71 | S | S | . | * | | | cis | -170.7 | -160.7 | -8.5 | -152.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 915 | K | 36.1 | Very low | 32.2 | Very low | 158 Ų | 158 | 131.8 Ų | 131.8 | 69% | 0.687 | 71% | 0.712 | S | S | * | * | | | trans | 27.5 | 144.2 | 145.6 | -67.9 | 142.2 | -159.6 | 153 | 0 | 122.8 | E913 | E913-K915 VanDerWaalsContact CD-NZ 3.28Å; E913-K915 IonicContact OE1-NZ 2.97Å; E913-K915 PolarHBondContact OE1-NZ 3.46Å; E913-K915 IonicContact OE2-NZ 2.65Å; E913-K915 PolarHBondContact OE2-NZ 3.42Å |
| 916 | S | 33.3 | Very low | 32.6 | Very low | 93 Ų | 93 | 131.7 Ų | 131.7 | 65% | 0.65 | 71% | 0.712 | S | S | * | * | | | cis | -178.9 | 146.8 | -10 | 53.4 | 0 | 0 | 0 | 0 | 116 | | |
| 917 | L | 34.5 | Very low | 32.8 | Very low | 150 Ų | 150 | 132.2 Ų | 132.2 | 79% | 0.785 | 72% | 0.715 | S | S | * | * | | | trans | 70.8 | 154.9 | 146.3 | -65.3 | 162.5 | 0 | 0 | 0 | 121.6 | | |
| 918 | Q | 31.4 | Very low | 32.9 | Very low | 165 Ų | 165 | 130.4 Ų | 130.4 | 77% | 0.771 | 71% | 0.708 | S | S | * | * | | | cis | -172.4 | 175.4 | -27.8 | -147.9 | -172.7 | 0.9 | 0 | 0 | 113.4 | | |
| 919 | V | 31.6 | Very low | 33 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 75% | 0.745 | 71% | 0.705 | S | S | * | * | | | trans | 80.3 | 145.2 | 153.3 | 141.7 | 0 | 0 | 0 | 0 | 119 | | |
| 920 | V | 32.9 | Very low | 33 | Very low | 128 Ų | 128 | 131.4 Ų | 131.4 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | | | cis | -154.6 | -142 | -18.5 | 71.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 921 | S | 30.5 | Very low | 33 | Very low | 78 Ų | 78 | 127.9 Ų | 127.9 | 55% | 0.545 | 70% | 0.7 | S | S | . | * | | | trans | -158.6 | -175.9 | -161.9 | 53 | 0 | 0 | 0 | 0 | 117.6 | | |
| 922 | H | 34.4 | Very low | 32.8 | Very low | 149 Ų | 149 | 130 Ų | 130 | 69% | 0.69 | 71% | 0.709 | S | S | * | * | | | trans | 102.3 | 151 | 165.5 | -55 | -54.5 | 0 | 0 | 0 | 118.9 | | |
| 923 | N | 33.4 | Very low | 32.6 | Very low | 125 Ų | 125 | 126.2 Ų | 126.2 | 67% | 0.668 | 70% | 0.702 | S | S | * | * | | | cis | -170.4 | 152.5 | -14.5 | -104.6 | 4.2 | 0 | 0 | 0 | 114.5 | | |
| 924 | I | 31.4 | Very low | 32.4 | Very low | 144 Ų | 144 | 125.9 Ų | 125.9 | 74% | 0.738 | 71% | 0.705 | S | S | * | * | | | trans | 82.8 | 134.2 | 136.8 | -71.8 | 168.9 | 0 | 0 | 0 | 125.8 | | |
| 925 | L | 30.9 | Very low | 32.2 | Very low | 157 Ų | 157 | 127.5 Ų | 127.5 | 82% | 0.822 | 71% | 0.712 | S | S | * | * | | | trans | 75 | 137.8 | 154.5 | -120.4 | 71.1 | 0 | 0 | 0 | 126.5 | | |
| 926 | P | 39.5 | Very low | 32.2 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 72% | 0.721 | 72% | 0.717 | S | S | * | * | | | trans | -133.6 | 161.1 | 166 | 42.2 | -29.1 | 0 | 0 | 0 | 117 | | |
| 927 | T | 30.3 | Very low | 32.1 | Very low | 130 Ų | 130 | 130.5 Ų | 130.5 | 80% | 0.798 | 73% | 0.725 | S | S | * | * | | | trans | -167.3 | 151.1 | 162.9 | 22.7 | 0 | 0 | 0 | 0 | 115.7 | | |
| 928 | S | 31.7 | Very low | 31.8 | Very low | 106 Ų | 106 | 127.7 Ų | 127.7 | 74% | 0.741 | 72% | 0.718 | S | S | * | * | | | trans | 74.4 | 156 | 151.3 | 80 | 0 | 0 | 0 | 0 | 120 | | |
| 929 | L | 30.5 | Very low | 31.8 | Very low | 136 Ų | 136 | 126 Ų | 126 | 71% | 0.712 | 72% | 0.719 | S | S | * | * | | | cis | -170.8 | 166.2 | -18.7 | -109.2 | 172.5 | 0 | 0 | 0 | 111.4 | | |
| 930 | H | 31.9 | Very low | 31.6 | Very low | 158 Ų | 158 | 125 Ų | 125 | 73% | 0.731 | 72% | 0.718 | S | S | * | * | | | trans | 67.8 | 155.2 | 161.4 | -59.6 | 133.1 | 0 | 0 | 0 | 119.2 | | |
| 931 | S | 30.9 | Very low | 31.6 | Very low | 86 Ų | 86 | 127 Ų | 127 | 60% | 0.601 | 72% | 0.719 | S | S | * | * | | | cis | -160.8 | 142 | -10.4 | -104.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 932 | I | 29.1 | Very low | 31.6 | Very low | 150 Ų | 150 | 129.3 Ų | 129.3 | 77% | 0.769 | 73% | 0.725 | S | S | * | * | | | | 60.6 | 127.8 | 85.8 | -59 | 169.9 | 0 | 0 | 0 | 112.2 | | |
| 933 | S | 30.4 | Very low | 31.4 | Very low | 92 Ų | 92 | 125.9 Ų | 125.9 | 64% | 0.643 | 72% | 0.718 | S | S | * | * | | | cis | -155.5 | -162.9 | 16.1 | -140.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 934 | D | 30.1 | Very low | 31.2 | Very low | 136 Ų | 136 | 125.2 Ų | 125.2 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | | | cis | -161.9 | -178.6 | 2.2 | -136.2 | -55.2 | 0 | 0 | 0 | 113.8 | | |
| 935 | V | 32 | Very low | 31.1 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 62% | 0.624 | 71% | 0.709 | S | S | * | * | | | trans | 43.8 | 116.6 | 154.5 | -175.4 | 0 | 0 | 0 | 0 | 122.1 | | |
| 936 | P | 34.6 | Very low | 31 | Very low | 122 Ų | 122 | 126.2 Ų | 126.2 | 79% | 0.792 | 70% | 0.702 | S | S | * | * | | | trans | -104.5 | 149.7 | 154.7 | 37.6 | -30.8 | 0 | 0 | 0 | 113.9 | | |
| 937 | K | 32.3 | Very low | 30.5 | Very low | 191 Ų | 191 | 127.4 Ų | 127.4 | 83% | 0.83 | 70% | 0.702 | S | S | * | * | | | trans | -176.9 | 159.4 | 169.5 | -102.9 | 158.8 | -176.4 | 174.9 | 0 | 108.7 | | |
| 938 | S | 27.1 | Very low | 30.6 | Very low | 91 Ų | 91 | 126.4 Ų | 126.4 | 64% | 0.636 | 70% | 0.698 | S | S | * | * | | | cis | 176.8 | 164.5 | -23.6 | 51.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 939 | V | 31.3 | Very low | 30.4 | Very low | 129 Ų | 129 | 126 Ų | 126 | 78% | 0.782 | 70% | 0.701 | S | S | * | * | | | trans | 71.9 | 122.4 | 173.4 | -170.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 940 | S | 28.1 | Very low | 30.4 | Very low | 103 Ų | 103 | 125.2 Ų | 125.2 | 72% | 0.72 | 71% | 0.707 | S | S | * | * | | | cis | 101.9 | 156.5 | 26.5 | -169.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 941 | E | 34.1 | Very low | 30.2 | Very low | 171 Ų | 171 | 127.2 Ų | 127.2 | 80% | 0.799 | 71% | 0.714 | S | S | * | * | | | trans | 75.6 | 124.7 | -178.9 | -44.1 | -160 | 157.3 | 0 | 0 | 113 | | |
| 942 | D | 28.7 | Very low | 30.1 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 67% | 0.674 | 72% | 0.721 | S | S | * | * | | | cis | 65 | 135.9 | 43.1 | -143.1 | 15.9 | 0 | 0 | 0 | 109.4 | K944 | D942-K944 IonicContact OD1-NZ 2.74Å; D942-K944 PolarHBondContact OD1-NZ 3.41Å; D942-K944 IonicContact OD2-NZ 3.79Å; D942-K944 PolarHBondContact OD2-NZ 3.38Å |
| 943 | S | 30.6 | Very low | 29.9 | Very low | 77 Ų | 77 | 130 Ų | 130 | 54% | 0.538 | 73% | 0.729 | S | S | . | * | | | cis | -158.7 | 164.3 | 20.5 | 77.9 | 0 | 0 | 0 | 0 | 115.2 | | |
| 944 | K | 30.4 | Very low | 29.6 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 48% | 0.483 | 74% | 0.74 | S | S | . | * | | | trans | 29.3 | 133.4 | 131.2 | -53.3 | 162.7 | -164.8 | 79.6 | 0 | 118.7 | D942 I946 | D942-K944 IonicContact OD1-NZ 2.74Å; D942-K944 PolarHBondContact OD1-NZ 3.41Å; D942-K944 IonicContact OD2-NZ 3.79Å; D942-K944 PolarHBondContact OD2-NZ 3.38Å; K944-I946 HydrophobicContact CB-CD1 4.38Å; K944-I946 HydrophobicContact CG-CD1 4.5Å |
| 945 | Y | 28.9 | Very low | 29.4 | Very low | 190 Ų | 190 | 136 Ų | 136 | 75% | 0.745 | 74% | 0.744 | S | S | * | * | | | | 164.5 | 106.6 | 108.6 | -85.6 | -65.1 | 0 | 0 | 0 | 107.1 | | |
| 946 | I | 29 | Very low | 29 | Very low | 131 Ų | 131 | 135.3 Ų | 135.3 | 67% | 0.672 | 75% | 0.749 | S | S | * | * | | | | 59.6 | 141.8 | 50.1 | -40.7 | 168.5 | 0 | 0 | 0 | 112.1 | K944 | K944-I946 HydrophobicContact CB-CD1 4.38Å; K944-I946 HydrophobicContact CG-CD1 4.5Å |
| 947 | N | 27.8 | Very low | 28.6 | Very low | 137 Ų | 137 | 134.2 Ų | 134.2 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | | | trans | 100.1 | 163.3 | 147.8 | -116 | 14.6 | 0 | 0 | 0 | 117.6 | | |
| 948 | P | 32.3 | Very low | 28.2 | Very low | 108 Ų | 108 | 133.5 Ų | 133.5 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | | | | -141.7 | 164.3 | -99.2 | 43.5 | -26.3 | 0 | 0 | 0 | 117.1 | | |
| 949 | A | 28 | Very low | 28.3 | Very low | 98 Ų | 98 | 134.4 Ų | 134.4 | 81% | 0.81 | 75% | 0.75 | S | S | * | * | | | trans | -154.6 | 145.2 | 154.5 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 950 | S | 31.3 | Very low | 28.2 | Very low | 119 Ų | 119 | 136 Ų | 136 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | | | cis | -153.4 | 146.6 | -16 | 50.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 951 | K | 26.4 | Very low | 28.2 | Very low | 201 Ų | 201 | 135.9 Ų | 135.9 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | | | trans | -85.2 | 179 | 170.8 | -53.2 | 173 | -179.9 | 171.9 | 0 | 109.4 | | |
| 952 | P | 28.6 | Very low | 27.8 | Very low | 117 Ų | 117 | 133 Ų | 133 | 76% | 0.76 | 74% | 0.74 | S | S | * | * | | | | -127.6 | 157.4 | -69.8 | 37.6 | -23.4 | 0 | 0 | 0 | 111.1 | | |
| 953 | L | 26.6 | Very low | 27.7 | Very low | 178 Ų | 178 | 134.5 Ų | 134.5 | 93% | 0.932 | 75% | 0.748 | S | S | * | * | | | trans | -121.1 | 139.4 | 167.8 | -92.4 | 168.1 | 0 | 0 | 0 | 112.6 | | |
| 954 | R | 22.8 | Very low | 27.6 | Very low | 234 Ų | 234 | 139 Ų | 139 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | | | trans | -131.1 | 87 | -165.8 | 179.6 | -167.4 | 175.7 | 159.6 | 0.8 | 109.8 | | |
| 955 | C | 26.4 | Very low | 27.6 | Very low | 120 Ų | 120 | 142 Ų | 142 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | | | trans | -116.7 | 122.3 | 156.8 | -59.9 | 0 | 0 | 0 | 0 | 105.5 | | |
| 956 | A | 24.1 | Very low | 27.4 | Very low | 87 Ų | 87 | 139.8 Ų | 139.8 | 72% | 0.719 | 78% | 0.776 | S | S | * | * | | | cis | 71.7 | 138.5 | 38.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 957 | S | 25.1 | Very low | 27.4 | Very low | 99 Ų | 99 | 139.6 Ų | 139.6 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | | | trans | 66.7 | 115.9 | -171.9 | -64.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 958 | E | 25.6 | Very low | 27.3 | Very low | 176 Ų | 176 | 138.5 Ų | 138.5 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | | | | 89.1 | 92.5 | 61.1 | -76.2 | 162.6 | 142.3 | 0 | 0 | 112.9 | | |
| 959 | S | 28.9 | Very low | 27.3 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | | | trans | -179.9 | 134.9 | 141.7 | 56.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 960 | N | 29 | Very low | 27.3 | Very low | 161 Ų | 161 | 141.1 Ų | 141.1 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | | | trans | -68.7 | 148.4 | 150.4 | -55.1 | -57.4 | 0 | 0 | 0 | 107.6 | | |
| 961 | P | 28 | Very low | 27.3 | Very low | 101 Ų | 101 | 143.7 Ų | 143.7 | 66% | 0.656 | 78% | 0.782 | S | S | * | * | | | | -151.4 | -156.8 | 86.8 | 42.1 | -23.4 | 0 | 0 | 0 | 113.8 | | |
| 962 | L | 25.1 | Very low | 27.3 | Very low | 110 Ų | 110 | 141 Ų | 141 | 58% | 0.576 | 77% | 0.772 | S | S | * | * | | | trans | -61.4 | 163.2 | 169.5 | -54.6 | 98.3 | 0 | 0 | 0 | 112.9 | L625 H964 | L625-L962 HydrophobicContact CD1-CD1 4.17Å; L625-L962 HydrophobicContact CD1-CD2 4.02Å; L625-L962 HydrophobicContact CD2-CD1 4.19Å; L962-H964 PolarHBondContact O-N 2.95Å |
| 963 | L | 27.1 | Very low | 27.3 | Very low | 158 Ų | 158 | 140.2 Ų | 140.2 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | | | trans | 12.2 | 103.5 | 148.1 | -67.5 | 166.7 | 0 | 0 | 0 | 116.8 | | |
| 964 | H | 29.4 | Very low | 27.5 | Very low | 171 Ų | 171 | 139.8 Ų | 139.8 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | | | trans | -172.1 | 165.4 | 134.2 | -105.2 | -74.8 | 0 | 0 | 0 | 110 | L962 | L962-H964 PolarHBondContact O-N 2.95Š|
| 965 | H | 29.1 | Very low | 27.8 | Very low | 174 Ų | 174 | 135.3 Ų | 135.3 | 81% | 0.806 | 76% | 0.756 | S | S | * | * | | | trans | 64 | 114.2 | -167 | -60.9 | -72.3 | 0 | 0 | 0 | 114.6 | | |
| 966 | L | 25.8 | Very low | 27.8 | Very low | 145 Ų | 145 | 138.7 Ų | 138.7 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | | | cis | 58.7 | 113.4 | 9.3 | -79.4 | 176.6 | 0 | 0 | 0 | 116.7 | | |
| 967 | V | 28.1 | Very low | 28.2 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | | | trans | 67 | 102.7 | 160.9 | -170.3 | 0 | 0 | 0 | 0 | 117.2 | | |
| 968 | S | 26.6 | Very low | 28.2 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | | | trans | 167 | 126.3 | 142.4 | -75.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 969 | S | 32.1 | Very low | 28.2 | Very low | 106 Ų | 106 | 137.7 Ų | 137.7 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | | | cis | -145 | 128.9 | -5.8 | -62.4 | 0 | 0 | 0 | 0 | 106.9 | | |
| 970 | L | 27.4 | Very low | 28.1 | Very low | 155 Ų | 155 | 139.2 Ų | 139.2 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | | | | 65.2 | 89.4 | 65.9 | -169.8 | 73.4 | 0 | 0 | 0 | 113.8 | | |
| 971 | K | 30.6 | Very low | 28 | Very low | 174 Ų | 174 | 137.1 Ų | 137.1 | 76% | 0.757 | 75% | 0.75 | S | S | * | * | | | trans | -138.9 | 117 | 131.1 | -80.9 | -153.1 | 164.3 | -139.1 | 0 | 107.5 | | |
| 972 | Q | 26.7 | Very low | 27.9 | Very low | 143 Ų | 143 | 136.4 Ų | 136.4 | 67% | 0.668 | 75% | 0.747 | S | S | * | * | | | | 65.4 | 124.2 | 102.8 | -63.1 | -179.1 | -79.6 | 0 | 0 | 112.3 | | |
| 973 | S | 29 | Very low | 28 | Very low | 101 Ų | 101 | 138.4 Ų | 138.4 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | | | cis | -146.7 | 127.6 | 10.9 | 47.8 | 0 | 0 | 0 | 0 | 110 | | |
| 974 | Q | 29.8 | Very low | 28.1 | Very low | 169 Ų | 169 | 137.6 Ų | 137.6 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | | | | 71.3 | 147.9 | 94.7 | -70.5 | -174 | -83.4 | 0 | 0 | 116.4 | | |
| 975 | N | 30.8 | Very low | 28.2 | Very low | 140 Ų | 140 | 134.5 Ų | 134.5 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | | | trans | 69.7 | 108.1 | 178 | -55 | 10.9 | 0 | 0 | 0 | 113.5 | | |
| 976 | E | 25.9 | Very low | 28.3 | Very low | 192 Ų | 192 | 132.2 Ų | 132.2 | 90% | 0.897 | 73% | 0.73 | S | S | * | * | | | cis | 69 | 81.2 | 8.2 | -161.3 | 173.5 | -123.9 | 0 | 0 | 115.7 | | |
| 977 | S | 31.2 | Very low | 28.7 | Very low | 100 Ų | 100 | 130.1 Ų | 130.1 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | | | trans | -172.3 | 98 | 155.2 | 55.9 | 0 | 0 | 0 | 0 | 108.2 | | |
| 978 | T | 26.8 | Very low | 29 | Very low | 123 Ų | 123 | 130.1 Ų | 130.1 | 76% | 0.755 | 72% | 0.719 | S | S | * | * | | | | 64.1 | 120.6 | 92.6 | 59 | 0 | 0 | 0 | 0 | 115.6 | | |
| 979 | T | 25.8 | Very low | 29.3 | Very low | 118 Ų | 118 | 130 Ų | 130 | 72% | 0.724 | 71% | 0.709 | S | S | * | * | | | trans | 26.2 | 114.9 | 145.5 | 53.6 | 0 | 0 | 0 | 0 | 119.3 | | |
| 980 | D | 26.1 | Very low | 29.3 | Very low | 143 Ų | 143 | 133.1 Ų | 133.1 | 77% | 0.765 | 71% | 0.709 | S | S | * | * | | | | -172.7 | 130.7 | 100.5 | -94.8 | -19.9 | 0 | 0 | 0 | 110.2 | | |
| 981 | V | 26.1 | Very low | 29.5 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 71% | 0.709 | 71% | 0.708 | S | S | * | * | | | | 74.1 | 111.5 | 84 | 174.3 | 0 | 0 | 0 | 0 | 114 | | |
| 982 | S | 25.9 | Very low | 29.6 | Very low | 86 Ų | 86 | 130.1 Ų | 130.1 | 60% | 0.601 | 70% | 0.7 | S | S | * | * | | | trans | 85.7 | 154.9 | 149.9 | 80.9 | 0 | 0 | 0 | 0 | 121.7 | | |
| 983 | H | 28.4 | Very low | 29.8 | Very low | 151 Ų | 151 | 130.5 Ų | 130.5 | 70% | 0.699 | 71% | 0.706 | S | S | * | * | | | trans | 64.9 | 105.2 | 154.5 | -60.6 | -43.6 | 0 | 0 | 0 | 118.1 | | |
| 984 | M | 29.2 | Very low | 30 | Very low | 142 Ų | 142 | 130.8 Ų | 130.8 | 70% | 0.7 | 71% | 0.706 | S | S | * | * | | | | 86.8 | 145.2 | 86.1 | -80.7 | 166.4 | 62.6 | 0 | 0 | 111.7 | | |
| 985 | N | 31 | Very low | 29.9 | Very low | 105 Ų | 105 | 130 Ų | 130 | 56% | 0.561 | 71% | 0.705 | S | S | * | * | | | cis | -157.4 | 152.9 | 19.9 | -129.8 | 1.2 | 0 | 0 | 0 | 111.9 | | |
| 986 | N | 30.3 | Very low | 29.8 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 67% | 0.674 | 70% | 0.704 | S | S | * | * | | | trans | 48.9 | 148.3 | 137.4 | -61.2 | -7.4 | 0 | 0 | 0 | 122.3 | | |
| 987 | T | 35.2 | Very low | 29.8 | Very low | 102 Ų | 102 | 123.6 Ų | 123.6 | 63% | 0.626 | 69% | 0.689 | S | S | * | * | | | cis | -154.6 | -165.1 | -11 | 25.2 | 0 | 0 | 0 | 0 | 106.5 | | |
| 988 | D | 33.9 | Very low | 29.8 | Very low | 127 Ų | 127 | 126.6 Ų | 126.6 | 68% | 0.679 | 69% | 0.692 | S | S | * | * | | | cis | -143.6 | 122.4 | 13.5 | -95.9 | -79 | 0 | 0 | 0 | 108.6 | | |
| 989 | L | 32.5 | Very low | 29.8 | Very low | 110 Ų | 110 | 124.3 Ų | 124.3 | 58% | 0.576 | 68% | 0.681 | S | S | * | * | | | | 85.6 | 105.3 | 87.7 | -75.6 | -163.4 | 0 | 0 | 0 | 116.9 | | |
| 990 | K | 32.3 | Very low | 29.9 | Very low | 172 Ų | 172 | 126.3 Ų | 126.3 | 75% | 0.748 | 68% | 0.682 | S | S | * | * | | | trans | 75.1 | 148 | 139.9 | -67.1 | 162 | 179.3 | 156.4 | 0 | 117.5 | | |
| 991 | K | 32.3 | Very low | 29.9 | Very low | 183 Ų | 183 | 127.8 Ų | 127.8 | 80% | 0.796 | 69% | 0.689 | S | S | * | * | | | cis | -155.9 | 136.7 | 9.2 | -139.7 | -178.1 | 177.3 | -172 | 0 | 113.6 | | |
| 992 | S | 31.6 | Very low | 29.8 | Very low | 83 Ų | 83 | 127 Ų | 127 | 58% | 0.58 | 69% | 0.688 | S | S | * | * | | | trans | 44.5 | 110.6 | 144.6 | 60.1 | 0 | 0 | 0 | 0 | 122.7 | | |
| 993 | D | 31.5 | Very low | 29.9 | Very low | 150 Ų | 150 | 131.2 Ų | 131.2 | 80% | 0.802 | 70% | 0.704 | S | S | * | * | | | | 46.8 | 160.6 | 97.6 | -55.1 | -44.8 | 0 | 0 | 0 | 121.4 | | |
| 994 | P | 33.2 | Very low | 29.7 | Very low | 107 Ų | 107 | 128.5 Ų | 128.5 | 70% | 0.695 | 70% | 0.702 | S | S | * | * | | | cis | -137 | 154.4 | 4.3 | 24.3 | 0.5 | 0 | 0 | 0 | 119.2 | | |
| 995 | I | 27.3 | Very low | 29.6 | Very low | 152 Ų | 152 | 129.7 Ų | 129.7 | 78% | 0.779 | 71% | 0.711 | S | S | * | * | | | | 46.2 | 112.8 | 129.4 | -48.6 | 168.4 | 0 | 0 | 0 | 121.7 | T997 | I995-T997 HydrophobicContact CG2-CG2 3.91Š|
| 996 | S | 28.2 | Very low | 29.4 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | | | | -167.1 | 110.2 | 129.6 | -168.3 | 0 | 0 | 0 | 0 | 106.8 | | |
| 997 | T | 27.7 | Very low | 29.3 | Very low | 95 Ų | 95 | 135.4 Ų | 135.4 | 58% | 0.583 | 73% | 0.73 | S | S | * | * | | | | 56.5 | 133.2 | 67.5 | 75.6 | 0 | 0 | 0 | 0 | 113.1 | I995 | I995-T997 HydrophobicContact CG2-CG2 3.91Š|
| 998 | H | 30.1 | Very low | 29.1 | Very low | 163 Ų | 163 | 138 Ų | 138 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | | | cis | -146.4 | 152.2 | 14.9 | -110.1 | -66.9 | 0 | 0 | 0 | 114.2 | | |
| 999 | S | 27.3 | Very low | 28.8 | Very low | 74 Ų | 74 | 138.2 Ų | 138.2 | 52% | 0.517 | 74% | 0.736 | S | S | . | * | | | trans | 56 | 114.6 | 137.1 | -61.8 | 0 | 0 | 0 | 0 | 121.5 | | |
| 1000 | E | 27.4 | Very low | 28.6 | Very low | 160 Ų | 160 | 139 Ų | 139 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | | | | 72.6 | 105.8 | 88.8 | -66.7 | 157.5 | 132 | 0 | 0 | 113.2 | | |
| 1001 | L | 26 | Very low | 28.5 | Very low | 175 Ų | 175 | 138.3 Ų | 138.3 | 92% | 0.916 | 75% | 0.746 | S | S | * | * | | | | 35.4 | 91 | 76.3 | -73.4 | 172.6 | 0 | 0 | 0 | 114.1 | | |
| 1002 | S | 24.7 | Very low | 28.5 | Very low | 99 Ų | 99 | 136.6 Ų | 136.6 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | | | trans | -148.6 | 85.2 | 167.3 | -82.7 | 0 | 0 | 0 | 0 | 112.6 | S1004 | S1002-S1004 VanDerWaalsContact C-N 3.3Å; S1002-S1004 PolarHBondContact O-N 3.18Å; S1002-S1004 VanDerWaalsContact O-N 3.08Å |
| 1003 | L | 26.8 | Very low | 28.5 | Very low | 176 Ų | 176 | 139.6 Ų | 139.6 | 92% | 0.921 | 75% | 0.753 | S | S | * | * | | | trans | -72.2 | 81.9 | 160.9 | -88.1 | 158.2 | 0 | 0 | 0 | 109.5 | N1005 | L1003-N1005 PolarHBondContact O-N 2.99Å; L1003-N1005 VanDerWaalsContact O-N 3.17Å |
| 1004 | S | 25 | Very low | 28.4 | Very low | 94 Ų | 94 | 139.5 Ų | 139.5 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | | | trans | -92.3 | 65.1 | -174.5 | -62.6 | 0 | 0 | 0 | 0 | 113.7 | S1002 S1006 | S1002-S1004 VanDerWaalsContact C-N 3.3Å; S1002-S1004 PolarHBondContact O-N 3.18Å; S1002-S1004 VanDerWaalsContact O-N 3.08Å; S1004-S1006 PolarHBondContact O-N 3.28Å; S1004-S1006 VanDerWaalsContact O-N 3.1Å |
| 1005 | N | 26.6 | Very low | 28.1 | Very low | 167 Ų | 167 | 137.7 Ų | 137.7 | 89% | 0.893 | 74% | 0.742 | S | S | * | * | | | trans | -70.5 | 89.7 | 157.4 | -92.4 | -33.7 | 0 | 0 | 0 | 109.3 | L1003 | L1003-N1005 PolarHBondContact O-N 2.99Å; L1003-N1005 VanDerWaalsContact O-N 3.17Å |
| 1006 | S | 28.5 | Very low | 28.3 | Very low | 99 Ų | 99 | 139.1 Ų | 139.1 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | | | trans | -145.6 | 105.6 | 171 | 61.7 | 0 | 0 | 0 | 0 | 113.5 | S1004 | S1004-S1006 PolarHBondContact O-N 3.28Å; S1004-S1006 VanDerWaalsContact O-N 3.1Å |
| 1007 | W | 26.6 | Very low | 28.3 | Very low | 251 Ų | 251 | 142.4 Ų | 142.4 | 95% | 0.951 | 75% | 0.747 | S | S | * | * | | | trans | -69.9 | 131.4 | 141.9 | -81.4 | 30.5 | 0 | 0 | 0 | 107.9 | | |
| 1008 | L | 30.6 | Very low | 28.3 | Very low | 158 Ų | 158 | 142 Ų | 142 | 83% | 0.827 | 75% | 0.753 | S | S | * | * | | | trans | -178.1 | 177.4 | 131 | -98.7 | 163.9 | 0 | 0 | 0 | 112.6 | | |
| 1009 | H | 28.7 | Very low | 28.3 | Very low | 130 Ų | 130 | 142 Ų | 142 | 60% | 0.602 | 76% | 0.759 | S | S | * | * | | | trans | -88.5 | 154.7 | -160.1 | -113 | -99.3 | 0 | 0 | 0 | 115.6 | | |
| 1010 | N | 27.4 | Very low | 28.3 | Very low | 126 Ų | 126 | 143 Ų | 143 | 67% | 0.674 | 77% | 0.771 | S | S | * | * | | | trans | 41.8 | 125.3 | 147.6 | -64.2 | 7.4 | 0 | 0 | 0 | 120.9 | | |
| 1011 | N | 31.4 | Very low | 28.5 | Very low | 159 Ų | 159 | 138.7 Ų | 138.7 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | | | | -161.5 | 176.5 | 93 | -106.8 | -14.5 | 0 | 0 | 0 | 113.1 | | |
| 1012 | I | 32.1 | Very low | 28.8 | Very low | 146 Ų | 146 | 137.1 Ų | 137.1 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | | | trans | -112.7 | 140.3 | -173.5 | -63.7 | 163.3 | 0 | 0 | 0 | 109.1 | | |
| 1013 | D | 32.4 | Very low | 28.8 | Very low | 147 Ų | 147 | 141.6 Ų | 141.6 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | | | trans | -174.7 | 123.1 | 130.5 | -85.3 | -23.2 | 0 | 0 | 0 | 107 | | |
| 1014 | D | 28.5 | Very low | 29 | Very low | 148 Ų | 148 | 141.7 Ų | 141.7 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | | | | 68.9 | 130.3 | 82.9 | -127.8 | 22.3 | 0 | 0 | 0 | 112.5 | | |
| 1015 | S | 27.9 | Very low | 29 | Very low | 68 Ų | 68 | 143.6 Ų | 143.6 | 48% | 0.476 | 77% | 0.773 | S | S | . | * | | | cis | -165.2 | 174.1 | 19.2 | 58.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1016 | K | 31.6 | Very low | 29.2 | Very low | 182 Ų | 182 | 141.2 Ų | 141.2 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | | | trans | 74.8 | 148.3 | 162.1 | -59.1 | 163.3 | -168.4 | 171.2 | 0 | 116.6 | | |
| 1017 | Q | 27.4 | Very low | 29.1 | Very low | 173 Ų | 173 | 143.8 Ų | 143.8 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | | | cis | -152 | 164.5 | -5 | -130.5 | 170.5 | -5.8 | 0 | 0 | 112.2 | | |
| 1018 | A | 27 | Very low | 29.2 | Very low | 87 Ų | 87 | 140 Ų | 140 | 72% | 0.719 | 77% | 0.768 | S | S | * | * | | | trans | 12.5 | 145.8 | 154.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 1019 | N | 30.7 | Very low | 29 | Very low | 162 Ų | 162 | 141.9 Ų | 141.9 | 87% | 0.866 | 77% | 0.77 | S | S | * | * | | | cis | -150.4 | 164.6 | 39.9 | -156.3 | 5.8 | 0 | 0 | 0 | 114.4 | | |
| 1020 | A | 27.6 | Very low | 29 | Very low | 95 Ų | 95 | 141.7 Ų | 141.7 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | trans | -102.7 | 158.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1021 | G | 32.2 | Very low | 29 | Very low | 70 Ų | 70 | 142.2 Ų | 142.2 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | | | trans | -166.9 | 88.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1022 | N | 30.8 | Very low | 28.8 | Very low | 143 Ų | 143 | 144 Ų | 144 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | | | trans | 42 | 110.2 | 153.6 | -60.5 | -11.9 | 0 | 0 | 0 | 119.6 | | |
| 1023 | F | 25.5 | Very low | 28.7 | Very low | 193 Ų | 193 | 146 Ų | 146 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | | | | 64.8 | 99.4 | 83.7 | -82.8 | -70.9 | 0 | 0 | 0 | 115.1 | | |
| 1024 | L | 31.1 | Very low | 28.3 | Very low | 177 Ų | 177 | 148.4 Ų | 148.4 | 93% | 0.927 | 77% | 0.771 | S | S | * | * | | | | -156.9 | 156 | 114.1 | -107.9 | 164.1 | 0 | 0 | 0 | 109.9 | | |
| 1025 | N | 24.5 | Very low | 28.3 | Very low | 135 Ų | 135 | 147.4 Ų | 147.4 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | | | trans | -135.5 | 110.6 | -166.5 | -178.5 | 19.3 | 0 | 0 | 0 | 110.5 | | |
| 1026 | S | 31.4 | Very low | 28.3 | Very low | 116 Ų | 116 | 149.3 Ų | 149.3 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | | | trans | -124.7 | 128.1 | 174.6 | 44.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1027 | N | 25.2 | Very low | 28.1 | Very low | 154 Ų | 154 | 147.9 Ų | 147.9 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | | | trans | -79.2 | 126.6 | -177.2 | -67 | -83 | 0 | 0 | 0 | 110.9 | | |
| 1028 | E | 29.2 | Very low | 28 | Very low | 170 Ų | 170 | 144.1 Ų | 144.1 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | | | trans | -144 | 122.6 | 159.3 | -140.7 | 159.3 | -137.7 | 0 | 0 | 112.3 | H1030 | E1028-H1030 PolarHBondContact O-N 3.36Š|
| 1029 | K | 26.2 | Very low | 28.1 | Very low | 199 Ų | 199 | 149.8 Ų | 149.8 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | | | trans | -92.4 | 77.1 | -173.8 | -74 | -179.5 | 176.7 | 173.6 | 0 | 111.3 | N1031 | K1029-N1031 PolarHBondContact O-N 3.12Š|
| 1030 | H | 30 | Very low | 28.1 | Very low | 125 Ų | 125 | 147.7 Ų | 147.7 | 58% | 0.579 | 77% | 0.773 | S | S | * | * | | | trans | -75.8 | 88.1 | 174.1 | -100.2 | -74.7 | 0 | 0 | 0 | 112.9 | E1028 Y1032 | E1028-H1030 PolarHBondContact O-N 3.36Å; H1030-Y1032 HydrophobicContact CB-CD2 4.12Å; H1030-Y1032 HydrophobicContact CB-CE2 3.79Å; H1030-Y1032 AromaticContact CG-CE2 3.81Å; H1030-Y1032 AromaticContact ND1-CE2 3.46Å; H1030-Y1032 WeakPolarHBondContact ND1-CE2 3.39Å; H1030-Y1032 AromaticContact ND1-CZ 3.69Å; H1030-Y1032 PolarHBondContact O-N 2.99Å |
| 1031 | N | 26 | Very low | 28 | Very low | 138 Ų | 138 | 151 Ų | 151 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | | | trans | -68.1 | 109.9 | 161 | -79 | -36.2 | 0 | 0 | 0 | 109.5 | K1029 | K1029-N1031 PolarHBondContact O-N 3.12Š|
| 1032 | Y | 28.6 | Very low | 28 | Very low | 195 Ų | 195 | 152.6 Ų | 152.6 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | | | trans | -96.6 | 112.1 | 167 | -83.1 | -79.9 | 0 | 0 | 0 | 110.7 | H1030 | H1030-Y1032 HydrophobicContact CB-CD2 4.12Å; H1030-Y1032 HydrophobicContact CB-CE2 3.79Å; H1030-Y1032 AromaticContact CG-CE2 3.81Å; H1030-Y1032 AromaticContact ND1-CE2 3.46Å; H1030-Y1032 WeakPolarHBondContact ND1-CE2 3.39Å; H1030-Y1032 AromaticContact ND1-CZ 3.69Å; H1030-Y1032 PolarHBondContact O-N 2.99Å |
| 1033 | F | 28.4 | Very low | 27.8 | Very low | 188 Ų | 188 | 153.8 Ų | 153.8 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | trans | -84.6 | 148 | -179.2 | -108.7 | -101.3 | 0 | 0 | 0 | 112.2 | | |
| 1034 | Y | 23.9 | Very low | 28 | Very low | 198 Ų | 198 | 152.1 Ų | 152.1 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | | | trans | -78.2 | 140.3 | 166 | -79 | -109.6 | 0 | 0 | 0 | 110.2 | T1036 | Y1034-T1036 PolarHBondContact O-N 3.35Å; Y1034-T1036 VanDerWaalsContact O-N 3.09Å |
| 1035 | P | 29.5 | Very low | 27.9 | Very low | 128 Ų | 128 | 150.8 Ų | 150.8 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | | | trans | -77.1 | 93 | 169.9 | 31 | -32.9 | 0 | 0 | 0 | 110.7 | | |
| 1036 | T | 27.5 | Very low | 28.2 | Very low | 108 Ų | 108 | 150.1 Ų | 150.1 | 66% | 0.663 | 77% | 0.768 | S | S | * | * | | | trans | -109.8 | 100.9 | 167.4 | 55.2 | 0 | 0 | 0 | 0 | 109.9 | Y1034 S1038 | Y1034-T1036 PolarHBondContact O-N 3.35Å; Y1034-T1036 VanDerWaalsContact O-N 3.09Å; T1036-S1038 PolarHBondContact O-N 2.98Å; T1036-S1038 VanDerWaalsContact O-N 3.1Å |
| 1037 | T | 28 | Very low | 28.1 | Very low | 151 Ų | 151 | 150.9 Ų | 150.9 | 93% | 0.926 | 76% | 0.763 | S | S | * | * | | | trans | -73.5 | 99.5 | 179.4 | 36.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1038 | S | 25.5 | Very low | 28.3 | Very low | 95 Ų | 95 | 151.7 Ų | 151.7 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | | | trans | -156.7 | 115.6 | 174.6 | 163.4 | 0 | 0 | 0 | 0 | 112.2 | T1036 | T1036-S1038 PolarHBondContact O-N 2.98Å; T1036-S1038 VanDerWaalsContact O-N 3.1Å |
| 1039 | R | 27.9 | Very low | 28.4 | Very low | 205 Ų | 205 | 150.2 Ų | 150.2 | 77% | 0.774 | 76% | 0.762 | S | S | * | * | | | trans | 83.8 | 136.2 | 149.1 | -72.8 | -173.3 | 80.5 | 100.6 | 18 | 122 | | |
| 1040 | D | 31.1 | Very low | 28.6 | Very low | 119 Ų | 119 | 147.2 Ų | 147.2 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | | | trans | 81 | 131.7 | 137.5 | -60 | -6.9 | 0 | 0 | 0 | 120.5 | | |
| 1041 | N | 26.4 | Very low | 28.4 | Very low | 164 Ų | 164 | 146.9 Ų | 146.9 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | | | trans | -80.8 | 141.8 | -173.1 | -51.1 | -20.3 | 0 | 0 | 0 | 112.7 | | |
| 1042 | S | 31.6 | Very low | 28.7 | Very low | 104 Ų | 104 | 144 Ų | 144 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | trans | -159.8 | 105.2 | 137 | 54.7 | 0 | 0 | 0 | 0 | 105.8 | | |
| 1043 | E | 27.3 | Very low | 28.7 | Very low | 167 Ų | 167 | 142.1 Ų | 142.1 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | | | | 52.5 | 96.8 | 92 | -66.5 | -171.5 | 148.3 | 0 | 0 | 110.8 | | |
| 1044 | L | 29.2 | Very low | 29 | Very low | 159 Ų | 159 | 142.3 Ų | 142.3 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | | | | 67.2 | 104.5 | 89.5 | -83.5 | 166 | 0 | 0 | 0 | 112.2 | | |
| 1045 | N | 28.9 | Very low | 29.3 | Very low | 148 Ų | 148 | 139.6 Ų | 139.6 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | | | | -162.5 | 158.3 | 129.4 | -122.2 | -9.4 | 0 | 0 | 0 | 112.5 | | |
| 1046 | N | 30.1 | Very low | 29.5 | Very low | 122 Ų | 122 | 140.5 Ų | 140.5 | 65% | 0.652 | 77% | 0.767 | S | S | * | * | | | trans | 67.1 | 123.9 | 164 | -62.1 | 28 | 0 | 0 | 0 | 116.9 | | |
| 1047 | D | 30.1 | Very low | 29.7 | Very low | 131 Ų | 131 | 141.3 Ų | 141.3 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | | | cis | -146.7 | -165.5 | -7 | -68.9 | -56.2 | 0 | 0 | 0 | 106.9 | | |
| 1048 | F | 28.5 | Very low | 29.9 | Very low | 172 Ų | 172 | 140.6 Ų | 140.6 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | | | cis | -161.4 | 120.7 | 5.7 | -154 | -68.8 | 0 | 0 | 0 | 109.6 | | |
| 1049 | T | 32.4 | Very low | 30.3 | Very low | 138 Ų | 138 | 144 Ų | 144 | 85% | 0.847 | 76% | 0.757 | S | S | * | * | | | trans | -177.1 | 86.3 | 149.2 | 14.6 | 0 | 0 | 0 | 0 | 114 | | |
| 1050 | D | 29 | Very low | 30.3 | Very low | 137 Ų | 137 | 142.8 Ų | 142.8 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | | | | 53.5 | 151.2 | 121 | -153.9 | 17.8 | 0 | 0 | 0 | 124.2 | | |
| 1051 | C | 26.9 | Very low | 30.3 | Very low | 117 Ų | 117 | 144.2 Ų | 144.2 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | | | trans | 67.4 | 101.3 | 162.7 | -80.7 | 0 | 0 | 0 | 0 | 120.3 | | |
| 1052 | G | 32.5 | Very low | 30.4 | Very low | 79 Ų | 79 | 142 Ų | 142 | 81% | 0.814 | 76% | 0.759 | S | S | * | * | | | trans | -179.1 | 45.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | K1054 | G1052-K1054 PolarHBondContact O-N 3.32Š|
| 1053 | N | 27.9 | Very low | 30.1 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | | | trans | -63 | 122 | -172.4 | -74.1 | -43.2 | 0 | 0 | 0 | 116.7 | | |
| 1054 | K | 35.4 | Very low | 30.2 | Very low | 192 Ų | 192 | 140 Ų | 140 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | | | trans | 175.5 | 112.8 | 134.2 | -95.5 | 156 | -175.2 | 179.8 | 0 | 110.1 | G1052 | G1052-K1054 PolarHBondContact O-N 3.32Š|
| 1055 | I | 29.8 | Very low | 29.9 | Very low | 142 Ų | 142 | 139.8 Ų | 139.8 | 73% | 0.728 | 75% | 0.754 | S | S | * | * | | | | 88.8 | 132.6 | 57.3 | -68.2 | 164.2 | 0 | 0 | 0 | 112.8 | | |
| 1056 | L | 34.4 | Very low | 29.8 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | | | trans | 90.6 | 107.6 | -172.9 | -58.2 | 172.7 | 0 | 0 | 0 | 114.7 | | |
| 1057 | N | 31.8 | Very low | 29.8 | Very low | 125 Ų | 125 | 141.3 Ų | 141.3 | 67% | 0.668 | 76% | 0.757 | S | S | * | * | | | | 88.7 | 136.8 | 65 | -76.1 | 38.5 | 0 | 0 | 0 | 111.5 | | |
| 1058 | E | 30.7 | Very low | 29.5 | Very low | 136 Ų | 136 | 141.9 Ų | 141.9 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | | | cis | -162.3 | 169.9 | 8.6 | -137.7 | 171.2 | -109.8 | 0 | 0 | 113.1 | | |
| 1059 | K | 35.3 | Very low | 29.6 | Very low | 168 Ų | 168 | 139.9 Ų | 139.9 | 73% | 0.73 | 76% | 0.763 | S | S | * | * | | | trans | 68.6 | 107.7 | 167.2 | -62.7 | 160.6 | -173.1 | 163.7 | 0 | 116.1 | | |
| 1060 | Q | 27.7 | Very low | 29.2 | Very low | 179 Ų | 179 | 144 Ų | 144 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | | | | 60.6 | 127.1 | 64.9 | -57.9 | -175.3 | 5.1 | 0 | 0 | 112.7 | | |
| 1061 | L | 29.7 | Very low | 29.3 | Very low | 148 Ų | 148 | 147.3 Ų | 147.3 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | | | | -158.8 | 129.9 | 58.8 | -163.5 | 71.4 | 0 | 0 | 0 | 115.7 | | |
| 1062 | T | 28.7 | Very low | 29.5 | Very low | 118 Ų | 118 | 151.3 Ų | 151.3 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | | | trans | 9.4 | 144.6 | 144.8 | -22.9 | 0 | 0 | 0 | 0 | 124 | | |
| 1063 | T | 26.6 | Very low | 29.1 | Very low | 122 Ų | 122 | 156 Ų | 156 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | | | trans | -57.7 | 166.6 | 157.3 | 45.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1064 | P | 27.8 | Very low | 29.2 | Very low | 107 Ų | 107 | 157 Ų | 157 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | | | cis | -158.1 | -178.4 | 45.9 | 45.8 | -23.3 | 0 | 0 | 0 | 120.1 | | |
| 1065 | I | 24.6 | Very low | 28.7 | Very low | 154 Ų | 154 | 150.2 Ų | 150.2 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | | | trans | 53.7 | 151.6 | 142.3 | -69.2 | 161.8 | 0 | 0 | 0 | 121.9 | | |
| 1066 | H | 26.4 | Very low | 28.7 | Very low | 162 Ų | 162 | 150.7 Ų | 150.7 | 75% | 0.75 | 76% | 0.76 | S | S | * | * | | | trans | 103.5 | 159.3 | 154 | -126 | -95.7 | 0 | 0 | 0 | 120.9 | | |
| 1067 | N | 28.7 | Very low | 28.3 | Very low | 140 Ų | 140 | 150.7 Ų | 150.7 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | | | trans | 79.6 | 77.2 | 165.5 | -64.9 | -27.3 | 0 | 0 | 0 | 121 | | |
| 1068 | I | 25.1 | Very low | 28.1 | Very low | 144 Ų | 144 | 151.9 Ų | 151.9 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | | | trans | -70.9 | 130.4 | 151.5 | -59.2 | 161 | 0 | 0 | 0 | 110.6 | R1070 | I1068-R1070 HydrophobicContact CG2-CG 4.2Å; I1068-R1070 PolarHBondContact O-N 3.06Å; I1068-R1070 VanDerWaalsContact O-N 3.13Å |
| 1069 | P | 30.4 | Very low | 27.9 | Very low | 130 Ų | 130 | 152.6 Ų | 152.6 | 84% | 0.844 | 76% | 0.76 | S | S | * | * | | | trans | -78.6 | 87 | 167.9 | -15.5 | 32 | 0 | 0 | 0 | 113 | K1071 | P1069-K1071 PolarHBondContact O-N 3.06Š|
| 1070 | R | 24.7 | Very low | 27.5 | Very low | 225 Ų | 225 | 150.5 Ų | 150.5 | 85% | 0.849 | 76% | 0.757 | S | S | * | * | | | trans | -77.8 | 111.9 | 173.2 | -77.5 | 178.5 | 169.5 | 167.4 | -4.6 | 112.7 | I1068 | I1068-R1070 HydrophobicContact CG2-CG 4.2Å; I1068-R1070 PolarHBondContact O-N 3.06Å; I1068-R1070 VanDerWaalsContact O-N 3.13Å |
| 1071 | K | 31.1 | Very low | 27.4 | Very low | 205 Ų | 205 | 149.8 Ų | 149.8 | 89% | 0.891 | 75% | 0.754 | S | S | * | * | | | trans | -153.6 | 139.6 | 154.1 | -69.2 | -170.2 | -176 | 175.3 | 0 | 110.4 | P1069 | P1069-K1071 PolarHBondContact O-N 3.06Š|
| 1072 | K | 29.1 | Very low | 27.2 | Very low | 202 Ų | 202 | 147.4 Ų | 147.4 | 88% | 0.878 | 75% | 0.749 | S | S | * | * | | | cis | -162.8 | 123.3 | -27.8 | -144.5 | -175.2 | -174.5 | -172.9 | 0 | 105.1 | | |
| 1073 | I | 25.5 | Very low | 27.1 | Very low | 177 Ų | 177 | 149.2 Ų | 149.2 | 91% | 0.908 | 75% | 0.749 | S | S | * | * | | | trans | -78.3 | 132.4 | -174.3 | -62 | 170.5 | 0 | 0 | 0 | 110.8 | | |
| 1074 | K | 28.7 | Very low | 27 | Very low | 176 Ų | 176 | 150.2 Ų | 150.2 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | | | trans | -157.5 | 135.5 | 149.4 | -165.5 | 171.8 | -175.7 | 178.6 | 0 | 107.4 | E1076 | K1074-E1076 WeakPolarHBondContact CE-OE1 3.26Å; K1074-E1076 IonicContact NZ-OE1 2.8Å |
| 1075 | G | 26 | Very low | 27 | Very low | 48 Ų | 48 | 149.1 Ų | 149.1 | 50% | 0.495 | 75% | 0.749 | S | S | . | * | | | cis | 144.9 | 148 | 3 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 1076 | E | 28.9 | Very low | 27.1 | Very low | 153 Ų | 153 | 149.9 Ų | 149.9 | 72% | 0.715 | 76% | 0.755 | S | S | * | * | | | trans | 65.3 | 160.7 | 179.5 | -57.2 | 129 | -117.7 | 0 | 0 | 115.4 | K1074 | K1074-E1076 WeakPolarHBondContact CE-OE1 3.26Å; K1074-E1076 IonicContact NZ-OE1 2.8Å |
| 1077 | Q | 26.5 | Very low | 27.1 | Very low | 145 Ų | 145 | 148.7 Ų | 148.7 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | | | cis | -164.8 | 149.2 | -38.3 | -176.1 | 148.4 | -28.3 | 0 | 0 | 109.2 | | |
| 1078 | E | 27.5 | Very low | 27.1 | Very low | 151 Ų | 151 | 149.2 Ų | 149.2 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | | | trans | 57.8 | 177.7 | 161.5 | -79.4 | 155.6 | -151.4 | 0 | 0 | 120.6 | | |
| 1079 | Q | 26.9 | Very low | 27 | Very low | 150 Ų | 150 | 147.8 Ų | 147.8 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | | | | -173.3 | 135.7 | -60.6 | 171.3 | 166.4 | -38.3 | 0 | 0 | 109.8 | | |
| 1080 | N | 25.8 | Very low | 26.9 | Very low | 125 Ų | 125 | 148.6 Ų | 148.6 | 67% | 0.668 | 75% | 0.749 | S | S | * | * | | | trans | 59.3 | 174 | 170.8 | -65.9 | 6 | 0 | 0 | 0 | 115.4 | | |
| 1081 | E | 26.8 | Very low | 27.1 | Very low | 164 Ų | 164 | 146.4 Ų | 146.4 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | | | cis | -137.5 | -169.3 | -1.2 | -152.5 | 139 | 139.1 | 0 | 0 | 112.4 | | |
| 1082 | C | 24.4 | Very low | 26.7 | Very low | 98 Ų | 98 | 143.2 Ų | 143.2 | 66% | 0.662 | 74% | 0.739 | S | S | * | * | | | trans | -64.5 | 176.4 | 175.1 | -62.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1083 | Q | 26.7 | Very low | 26.6 | Very low | 156 Ų | 156 | 141.5 Ų | 141.5 | 73% | 0.729 | 74% | 0.739 | S | S | * | * | | | cis | -161 | 173.8 | 30.6 | -143.1 | 117.5 | 1.8 | 0 | 0 | 113 | | |
| 1084 | N | 26 | Very low | 26.6 | Very low | 143 Ų | 143 | 141 Ų | 141 | 77% | 0.765 | 73% | 0.731 | S | S | * | * | | | trans | 5.7 | 152.7 | 146.4 | -58.8 | 2 | 0 | 0 | 0 | 120.4 | | |
| 1085 | A | 26.5 | Very low | 26.5 | Very low | 83 Ų | 83 | 141 Ų | 141 | 69% | 0.686 | 73% | 0.733 | S | S | * | * | | | cis | -177.1 | 162.8 | -16.6 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 1086 | D | 27.8 | Very low | 26.6 | Very low | 171 Ų | 171 | 143.4 Ų | 143.4 | 91% | 0.914 | 74% | 0.742 | S | S | * | * | | | trans | -164.6 | 138.9 | 141.4 | -113.7 | -23.4 | 0 | 0 | 0 | 111.9 | | |
| 1087 | D | 25.9 | Very low | 26.4 | Very low | 136 Ų | 136 | 140.6 Ų | 140.6 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | | | trans | -112.1 | 129.6 | -173.2 | -140 | -38 | 0 | 0 | 0 | 109.7 | T1089 | D1087-T1089 PolarHBondContact OD1-OG1 3.02Š|
| 1088 | I | 27.9 | Very low | 26.4 | Very low | 152 Ų | 152 | 141.6 Ų | 141.6 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | | | trans | -128.7 | 86.4 | 165.5 | -56.5 | -175.5 | 0 | 0 | 0 | 109.4 | I1090 | I1088-I1090 HydrophobicContact CG2-CD1 4.41Å; I1088-I1090 HydrophobicContact CG2-CG1 4.32Å |
| 1089 | T | 24.7 | Very low | 26.3 | Very low | 113 Ų | 113 | 144.2 Ų | 144.2 | 69% | 0.693 | 76% | 0.758 | S | S | * | * | | | trans | -97.1 | 110.4 | 167.4 | -69.3 | 0 | 0 | 0 | 0 | 110.4 | D1087 | D1087-T1089 PolarHBondContact OD1-OG1 3.02Š|
| 1090 | I | 27.6 | Very low | 26.4 | Very low | 147 Ų | 147 | 142.9 Ų | 142.9 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | | | trans | -127.2 | 91 | 165.6 | -55.7 | -179.3 | 0 | 0 | 0 | 106.9 | I1088 | I1088-I1090 HydrophobicContact CG2-CD1 4.41Å; I1088-I1090 HydrophobicContact CG2-CG1 4.32Å |
| 1091 | K | 28.4 | Very low | 26.5 | Very low | 179 Ų | 179 | 141.9 Ų | 141.9 | 78% | 0.778 | 77% | 0.766 | S | S | * | * | | | | 64.5 | 106.8 | 93.4 | -87.6 | -175.8 | 173.7 | 173.3 | 0 | 114.9 | | |
| 1092 | N | 23.6 | Very low | 26.6 | Very low | 139 Ų | 139 | 144.7 Ų | 144.7 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | | | trans | -2.4 | 133.7 | 146.7 | -50.9 | -13.9 | 0 | 0 | 0 | 117.4 | | |
| 1093 | D | 27 | Very low | 26.8 | Very low | 166 Ų | 166 | 144 Ų | 144 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | | | trans | -112.1 | 136 | 142.8 | -120.2 | -32.8 | 0 | 0 | 0 | 109 | | |
| 1094 | F | 25.4 | Very low | 26.9 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 73% | 0.728 | 78% | 0.779 | S | S | * | * | | | trans | -98.3 | -172.1 | 178.6 | -116.2 | -107.4 | 0 | 0 | 0 | 110.1 | | |
| 1095 | H | 27 | Very low | 27.1 | Very low | 176 Ų | 176 | 140.6 Ų | 140.6 | 82% | 0.815 | 78% | 0.78 | S | S | * | * | | | trans | 75.5 | 151 | 178.3 | -42.2 | -77.4 | 0 | 0 | 0 | 114.6 | | |
| 1096 | S | 26.6 | Very low | 27.3 | Very low | 99 Ų | 99 | 143.3 Ų | 143.3 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | | | cis | -144.2 | 147.3 | 0.3 | -171.2 | 0 | 0 | 0 | 0 | 112 | | |
| 1097 | S | 25.7 | Very low | 27.6 | Very low | 94 Ų | 94 | 145 Ų | 145 | 66% | 0.657 | 78% | 0.776 | S | S | * | * | | | trans | 40.3 | 103.5 | 147 | 62 | 0 | 0 | 0 | 0 | 119.6 | | |
| 1098 | N | 25.9 | Very low | 28 | Very low | 166 Ų | 166 | 143.8 Ų | 143.8 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | | | | -139.1 | 113 | 129.3 | -101.6 | -34.2 | 0 | 0 | 0 | 109 | P1100 | N1098-P1100 VanDerWaalsContact O-CD 3.27Å; N1098-P1100 WeakPolarHBondContact O-CD 3.43Å |
| 1099 | K | 26.1 | Very low | 28.1 | Very low | 205 Ų | 205 | 142.9 Ų | 142.9 | 89% | 0.891 | 78% | 0.775 | S | S | * | * | | | trans | -89.5 | 111.8 | 173.4 | -72 | -177.4 | 177.4 | -178 | 0 | 109 | | |
| 1100 | P | 28.6 | Very low | 28.6 | Very low | 123 Ų | 123 | 141.5 Ų | 141.5 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | | | trans | -69.9 | 128.4 | 148 | 30.6 | -29.7 | 0 | 0 | 0 | 107.8 | N1098 | N1098-P1100 VanDerWaalsContact O-CD 3.27Å; N1098-P1100 WeakPolarHBondContact O-CD 3.43Å |
| 1101 | S | 28.3 | Very low | 29.2 | Very low | 103 Ų | 103 | 140.3 Ų | 140.3 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | | | trans | -73.7 | 144.9 | -178.8 | 48.8 | 0 | 0 | 0 | 0 | 112.3 | A1103 | S1101-A1103 PolarHBondContact O-N 3.04Š|
| 1102 | K | 29.2 | Very low | 29.8 | Very low | 223 Ų | 223 | 137.6 Ų | 137.6 | 97% | 0.97 | 76% | 0.763 | S | S | * | * | | | trans | -37.8 | 101.4 | 164.4 | -171.5 | -177.6 | -174 | -175.9 | 0 | 111.5 | | |
| 1103 | A | 28.7 | Very low | 30.6 | Very low | 84 Ų | 84 | 136.9 Ų | 136.9 | 69% | 0.694 | 76% | 0.759 | S | S | * | * | | | trans | -143.3 | 131 | 176 | 0 | 0 | 0 | 0 | 0 | 107.8 | S1101 | S1101-A1103 PolarHBondContact O-N 3.04Š|
| 1104 | G | 27.7 | Very low | 30.9 | Very low | 76 Ų | 76 | 132.2 Ų | 132.2 | 78% | 0.784 | 75% | 0.751 | S | S | * | * | | | trans | -69 | 147.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1106 | G1104-L1106 PolarHBondContact O-N 3.06Š|
| 1105 | I | 30.6 | Very low | 31.2 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 77% | 0.774 | 76% | 0.757 | S | S | * | * | | | trans | -75.3 | 84 | 167.6 | -58.5 | 173.7 | 0 | 0 | 0 | 107 | W1107 | I1105-W1107 PolarHBondContact O-N 3.4Š|
| 1106 | L | 31.1 | Very low | 31.4 | Very low | 141 Ų | 141 | 131.9 Ų | 131.9 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | | | trans | -75 | 107.5 | 177.8 | -171.3 | 71.7 | 0 | 0 | 0 | 109.4 | G1104 T1108 | G1104-L1106 PolarHBondContact O-N 3.06Å; L1106-T1108 HydrophobicContact CD2-CG2 3.79Å; L1106-T1108 HydrophobicContact CG-CG2 3.96Å; L1106-T1108 PolarHBondContact O-N 3.43Å; L1106-T1108 VanDerWaalsContact O-N 3.11Å |
| 1107 | W | 33.3 | Very low | 31.9 | Very low | 207 Ų | 207 | 138 Ų | 138 | 78% | 0.784 | 75% | 0.75 | S | S | * | * | | | trans | -66.4 | 107 | 171.8 | -60.4 | 79 | 0 | 0 | 0 | 108.7 | I1105 W1117 | I1105-W1107 PolarHBondContact O-N 3.4Å; W1107-W1117 HydrophobicContact CE3-CZ3 4.09Å; W1107-W1117 AromaticContact CZ3-CZ3 3.83Å; W1107-W1117 HydrophobicContact CZ3-CZ3 3.83Å |
| 1108 | T | 33.9 | Very low | 32.2 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 68% | 0.675 | 75% | 0.746 | S | S | * | * | | | trans | -116.8 | 123.7 | 175.4 | 43.6 | 0 | 0 | 0 | 0 | 109.1 | L1106 | L1106-T1108 HydrophobicContact CD2-CG2 3.79Å; L1106-T1108 HydrophobicContact CG-CG2 3.96Å; L1106-T1108 PolarHBondContact O-N 3.43Å; L1106-T1108 VanDerWaalsContact O-N 3.11Å |
| 1109 | V | 30.5 | Very low | 32.6 | Very low | 133 Ų | 133 | 136 Ų | 136 | 81% | 0.806 | 73% | 0.73 | S | S | * | * | | | trans | -74.8 | 128.7 | 167.1 | 179.2 | 0 | 0 | 0 | 0 | 107.1 | P1111 | V1109-P1111 WeakPolarHBondContact O-CD 3.42Š|
| 1110 | D | 35.5 | Very low | 32.9 | Very low | 83 Ų | 83 | 132.9 Ų | 132.9 | 44% | 0.444 | 72% | 0.723 | S | S | . | * | | | trans | -72.9 | 115.9 | 167.9 | -168.6 | -45.7 | 0 | 0 | 0 | 108.4 | V1112 | D1110-V1112 PolarHBondContact O-N 3.41Å; D1110-V1112 WeakPolarHBondContact OD1-CB 3.47Å; D1110-V1112 PolarHBondContact OD1-N 2.91Å |
| 1111 | P | 39.9 | Very low | 33.2 | Very low | 122 Ų | 122 | 131 Ų | 131 | 79% | 0.792 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -2.5 | -174.8 | 34.1 | -36.4 | 0 | 0 | 0 | 113.5 | V1109 | V1109-P1111 WeakPolarHBondContact O-CD 3.42Š|
| 1112 | V | 40.4 | Very low | 33.4 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 74% | 0.739 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | -50.2 | -174 | -172.8 | 0 | 0 | 0 | 0 | 112.2 | D1110 | D1110-V1112 PolarHBondContact O-N 3.41Å; D1110-V1112 WeakPolarHBondContact OD1-CB 3.47Å; D1110-V1112 PolarHBondContact OD1-N 2.91Å |
| 1113 | D | 41 | Very low | 33.3 | Very low | 124 Ų | 124 | 128.3 Ų | 128.3 | 66% | 0.663 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | -18 | -169.6 | -91.9 | -47.2 | 0 | 0 | 0 | 115.5 | R1115 | D1113-R1115 WeakPolarHBondContact O-CB 3.32Å; D1113-R1115 WeakPolarHBondContact O-CG 3.44Å; D1113-R1115 PolarHBondContact O-N 2.9Å |
| 1114 | G | 32.9 | Very low | 33.5 | Very low | 69 Ų | 69 | 130.4 Ų | 130.4 | 71% | 0.711 | 71% | 0.714 | S | S | * | * | | | trans | 57 | 6.8 | 165 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 1115 | R | 32.7 | Very low | 33.8 | Very low | 230 Ų | 230 | 136.3 Ų | 136.3 | 87% | 0.868 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -127.2 | -12.1 | -166.5 | -71.9 | -179.6 | 179 | -152.2 | -1.8 | 116.8 | D1113 | D1113-R1115 WeakPolarHBondContact O-CB 3.32Å; D1113-R1115 WeakPolarHBondContact O-CG 3.44Å; D1113-R1115 PolarHBondContact O-N 2.9Å |
| 1116 | E | 30.4 | Very low | 33.7 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 49% | 0.491 | 71% | 0.712 | S | S | . | * | | | trans | -129.7 | 124.6 | -173.3 | -60.2 | -154.5 | -133.5 | 0 | 0 | 113.6 | I1118 | E1116-I1118 VanDerWaalsContact C-N 3.33Å; E1116-I1118 HydrophobicContact CB-CG1 4.26Å; E1116-I1118 PolarHBondContact O-N 3.27Å |
| 1117 | W | 36.7 | Very low | 33.7 | Very low | 226 Ų | 226 | 133 Ų | 133 | 86% | 0.856 | 70% | 0.703 | S | S | * | * | | | trans | -75 | 79.9 | 173.4 | -68.5 | 90.9 | 0 | 0 | 0 | 110.9 | W1107 L1119 | W1107-W1117 HydrophobicContact CE3-CZ3 4.09Å; W1107-W1117 AromaticContact CZ3-CZ3 3.83Å; W1107-W1117 HydrophobicContact CZ3-CZ3 3.83Å; W1117-L1119 PolarHBondContact O-N 2.99Å |
| 1118 | I | 33.4 | Very low | 33.8 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 59% | 0.585 | 70% | 0.704 | S | S | * | * | | | trans | -74.4 | 93.7 | -178.8 | -55.6 | -178.7 | 0 | 0 | 0 | 110.5 | E1116 N1120 | E1116-I1118 VanDerWaalsContact C-N 3.33Å; E1116-I1118 HydrophobicContact CB-CG1 4.26Å; E1116-I1118 PolarHBondContact O-N 3.27Å; I1118-N1120 PolarHBondContact O-N 3.2Å |
| 1119 | L | 32.9 | Very low | 33.6 | Very low | 104 Ų | 104 | 131.4 Ų | 131.4 | 55% | 0.545 | 70% | 0.704 | S | S | . | * | | | trans | -78.6 | 71.4 | -178.7 | -125 | 149.8 | 0 | 0 | 0 | 111.8 | W1117 R1122 | W1117-L1119 PolarHBondContact O-N 2.99Å; L1119-R1122 HydrophobicContact CB-CG 4.11Å; L1119-R1122 HydrophobicContact CD2-CG 3.74Å; L1119-R1122 HydrophobicContact CG-CG 4.45Å; L1119-R1122 PolarHBondContact O-N 3.48Å |
| 1120 | N | 33.2 | Very low | 33.5 | Very low | 141 Ų | 141 | 130 Ų | 130 | 75% | 0.754 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | 133.4 | 172.9 | -75.1 | -40.2 | 0 | 0 | 0 | 110.7 | I1118 | I1118-N1120 PolarHBondContact O-N 3.2Š|
| 1121 | G | 34.2 | Very low | 33.4 | Very low | 82 Ų | 82 | 134.1 Ų | 134.1 | 85% | 0.845 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 85.9 | 8.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 1122 | R | 32.4 | Very low | 32.8 | Very low | 162 Ų | 162 | 133.4 Ų | 133.4 | 61% | 0.611 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 138.4 | 171.8 | -91.9 | -172.3 | 170.6 | -170.5 | -1.4 | 111.8 | L1119 | L1119-R1122 HydrophobicContact CB-CG 4.11Å; L1119-R1122 HydrophobicContact CD2-CG 3.74Å; L1119-R1122 HydrophobicContact CG-CG 4.45Å; L1119-R1122 PolarHBondContact O-N 3.48Å |
| 1123 | P | 28.7 | Very low | 32.4 | Very low | 109 Ų | 109 | 131 Ų | 131 | 71% | 0.708 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 148.9 | 163.2 | 26.7 | -33.9 | 0 | 0 | 0 | 109.4 | R1125 | P1123-R1125 PolarHBondContact O-N 3.44Š|
| 1124 | P | 33.2 | Very low | 32 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 83% | 0.825 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 128.6 | -172.5 | 22.1 | -33.5 | 0 | 0 | 0 | 110.5 | | |
| 1125 | R | 32.3 | Very low | 31.9 | Very low | 200 Ų | 200 | 134.1 Ų | 134.1 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -46.7 | 130.7 | -176.8 | -70 | -173 | -176.5 | -169.5 | 2.3 | 109.5 | P1123 L1127 | P1123-R1125 PolarHBondContact O-N 3.44Å; R1125-L1127 PolarHBondContact O-N 3.03Å; R1125-L1127 VanDerWaalsContact O-N 3.14Å |
| 1126 | P | 29.3 | Very low | 31.8 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 75% | 0.747 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 126.7 | 168.3 | 25 | -33.2 | 0 | 0 | 0 | 107.4 | I1128 | P1126-I1128 PolarHBondContact O-N 2.96Š|
| 1127 | L | 31 | Very low | 31.8 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 57% | 0.565 | 72% | 0.724 | S | S | * | * | | | trans | -69.5 | 106.9 | -170.5 | -71.9 | 108.4 | 0 | 0 | 0 | 109.9 | R1125 N1129 K1131 | R1125-L1127 PolarHBondContact O-N 3.03Å; R1125-L1127 VanDerWaalsContact O-N 3.14Å; L1127-N1129 CarbonylContact C-O 3.59Å; L1127-N1129 VanDerWaalsContact CB-O 3.31Å; L1127-N1129 WeakPolarHBondContact CB-O 3.32Å; L1127-N1129 CarbonylContact O-C 3.59Å; L1127-N1129 PolarHBondContact O-N 2.89Å; L1127-K1131 HydrophobicContact CD1-CD 4.22Å; L1127-K1131 HydrophobicContact CD2-CD 3.74Å; L1127-K1131 HydrophobicContact CD2-CG 4.05Å |
| 1128 | I | 36.3 | Very low | 31.4 | Very low | 155 Ų | 155 | 130.4 Ų | 130.4 | 80% | 0.795 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -63 | -28.2 | 177.2 | -63.1 | 173.8 | 0 | 0 | 0 | 110.4 | P1126 | P1126-I1128 PolarHBondContact O-N 2.96Š|
| 1129 | N | 29.7 | Very low | 31.4 | Very low | 128 Ų | 128 | 133.1 Ų | 133.1 | 68% | 0.684 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -77.1 | 122.2 | 158.5 | -73.7 | -6.9 | 0 | 0 | 0 | 109.4 | L1127 K1131 | L1127-N1129 CarbonylContact C-O 3.59Å; L1127-N1129 VanDerWaalsContact CB-O 3.31Å; L1127-N1129 WeakPolarHBondContact CB-O 3.32Å; L1127-N1129 CarbonylContact O-C 3.59Å; L1127-N1129 PolarHBondContact O-N 2.89Å; N1129-K1131 PolarHBondContact O-N 3.44Å |
| 1130 | P | 27.4 | Very low | 31.4 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 67% | 0.669 | 75% | 0.748 | S | S | * | * | | | trans | -64.5 | 101.1 | 174 | 27.1 | -33.5 | 0 | 0 | 0 | 109.9 | C1132 | P1130-C1132 PolarHBondContact O-N 3.16Š|
| 1131 | K | 32.6 | Very low | 31.4 | Very low | 171 Ų | 171 | 132.4 Ų | 132.4 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | | | trans | -65.3 | 87.9 | 164.5 | -97.2 | -174.1 | -179.8 | 176.6 | 0 | 108.2 | L1127 N1129 G1133 | L1127-K1131 HydrophobicContact CD1-CD 4.22Å; L1127-K1131 HydrophobicContact CD2-CD 3.74Å; L1127-K1131 HydrophobicContact CD2-CG 4.05Å; N1129-K1131 PolarHBondContact O-N 3.44Å; K1131-G1133 PolarHBondContact O-N 2.7Å |
| 1132 | C | 28.8 | Very low | 31.3 | Very low | 106 Ų | 106 | 134 Ų | 134 | 72% | 0.716 | 74% | 0.744 | S | S | * | * | | | trans | -64.9 | 84.6 | 159 | -76 | 0 | 0 | 0 | 0 | 108.1 | P1130 L1134 | P1130-C1132 PolarHBondContact O-N 3.16Å; C1132-L1134 HydrophobicContact CB-CG 4.4Å; C1132-L1134 PolarHBondContact O-N 3.36Å |
| 1133 | G | 30.6 | Very low | 31.1 | Very low | 73 Ų | 73 | 132.4 Ų | 132.4 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | | | trans | -68.9 | 66.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | K1131 S1135 | K1131-G1133 PolarHBondContact O-N 2.7Å; G1133-S1135 VanDerWaalsContact C-N 3.3Å; G1133-S1135 PolarHBondContact O-N 3.46Å |
| 1134 | L | 33 | Very low | 31.2 | Very low | 158 Ų | 158 | 137.6 Ų | 137.6 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | | | trans | -77.8 | 84.2 | 171.7 | -72.3 | 172.7 | 0 | 0 | 0 | 108.6 | C1132 N1136 | C1132-L1134 HydrophobicContact CB-CG 4.4Å; C1132-L1134 PolarHBondContact O-N 3.36Å; L1134-N1136 PolarHBondContact O-N 2.89Å |
| 1135 | S | 31.9 | Very low | 30.9 | Very low | 100 Ų | 100 | 137.2 Ų | 137.2 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | | | trans | -64.7 | 109.4 | 165.2 | 52 | 0 | 0 | 0 | 0 | 109.6 | G1133 | G1133-S1135 VanDerWaalsContact C-N 3.3Å; G1133-S1135 PolarHBondContact O-N 3.46Å |
| 1136 | N | 29 | Very low | 31 | Very low | 159 Ų | 159 | 136.5 Ų | 136.5 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 56.5 | 104.8 | 166 | -50.8 | -24.1 | 0 | 0 | 0 | 114.8 | L1134 | L1134-N1136 PolarHBondContact O-N 2.89Š|
| 1137 | S | 31 | Very low | 31 | Very low | 97 Ų | 97 | 136.1 Ų | 136.1 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | | | | -178.6 | 139.7 | 68.9 | -173.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1138 | R | 28.4 | Very low | 30.8 | Very low | 227 Ų | 227 | 135.6 Ų | 135.6 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | | | trans | 37.8 | 92.1 | 150.5 | -59.4 | 174.9 | -175 | -145.9 | -0.2 | 118.5 | | |
| 1139 | L | 33.5 | Very low | 30.6 | Very low | 171 Ų | 171 | 136.8 Ų | 136.8 | 90% | 0.895 | 77% | 0.771 | S | S | * | * | | | | -176.3 | 154.1 | 103.9 | -93.8 | 162.1 | 0 | 0 | 0 | 111.6 | | |
| 1140 | S | 32.9 | Very low | 30.6 | Very low | 104 Ų | 104 | 140.2 Ų | 140.2 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | -65 | 141.6 | -175.8 | 45 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1141 | V | 34.4 | Very low | 30.8 | Very low | 125 Ų | 125 | 142.6 Ų | 142.6 | 76% | 0.758 | 79% | 0.787 | S | S | * | * | | | | -152.3 | 143.4 | 78.9 | 163.8 | 0 | 0 | 0 | 0 | 110.9 | C1143 | V1141-C1143 PolarHBondContact O-N 3.49Š|
| 1142 | P | 32 | Very low | 30.7 | Very low | 117 Ų | 117 | 139 Ų | 139 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | | | trans | -87.7 | 105.2 | -178.6 | 33.4 | -34.2 | 0 | 0 | 0 | 114.2 | R1144 | P1142-R1144 PolarHBondContact O-N 3.26Š|
| 1143 | C | 28.3 | Very low | 31 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 86% | 0.858 | 77% | 0.77 | S | S | * | * | | | trans | -70.5 | 100 | 169.4 | -69 | 0 | 0 | 0 | 0 | 111.5 | V1141 S1145 | V1141-C1143 PolarHBondContact O-N 3.49Å; C1143-S1145 PolarHBondContact O-N 2.99Å |
| 1144 | R | 29.2 | Very low | 31.2 | Very low | 218 Ų | 218 | 139.4 Ų | 139.4 | 82% | 0.823 | 77% | 0.769 | S | S | * | * | | | trans | -78.7 | 104.4 | -178.1 | -173.7 | -177.5 | -173.9 | -163.3 | 2.6 | 111.5 | P1142 K1146 | P1142-R1144 PolarHBondContact O-N 3.26Å; R1144-K1146 PolarHBondContact O-N 3.32Å |
| 1145 | S | 28.3 | Very low | 31.2 | Very low | 120 Ų | 120 | 140.6 Ų | 140.6 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | | | trans | -59.1 | 107.5 | 170.9 | -58.5 | 0 | 0 | 0 | 0 | 111 | C1143 | C1143-S1145 PolarHBondContact O-N 2.99Š|
| 1146 | K | 33.3 | Very low | 31.3 | Very low | 185 Ų | 185 | 139.9 Ų | 139.9 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | | | trans | -81.9 | 147.9 | 167.2 | -77.2 | -173.9 | 176 | -179.2 | 0 | 110.2 | R1144 | R1144-K1146 PolarHBondContact O-N 3.32Š|
| 1147 | S | 29.2 | Very low | 31.4 | Very low | 107 Ų | 107 | 138.1 Ų | 138.1 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | | | trans | -73.7 | 159.1 | -176 | -168.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1148 | S | 27.1 | Very low | 31.6 | Very low | 97 Ų | 97 | 139.3 Ų | 139.3 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | | | trans | 58.6 | 83 | 147.8 | -175.6 | 0 | 0 | 0 | 0 | 118.8 | | |
| 1149 | H | 31.3 | Very low | 31.9 | Very low | 180 Ų | 180 | 138 Ų | 138 | 83% | 0.833 | 76% | 0.76 | S | S | * | * | | | trans | -136.6 | 92.6 | 151.1 | -72.8 | -72 | 0 | 0 | 0 | 111.3 | | |
| 1150 | F | 29.9 | Very low | 32.1 | Very low | 200 Ų | 200 | 136 Ų | 136 | 88% | 0.877 | 76% | 0.758 | S | S | * | * | | | trans | -77.8 | 150.7 | 145.8 | -78.3 | -92.6 | 0 | 0 | 0 | 107.9 | | |
| 1151 | L | 31.4 | Very low | 32.1 | Very low | 152 Ų | 152 | 138.8 Ų | 138.8 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | | | trans | 64 | 86 | -177.1 | -50.9 | 177.2 | 0 | 0 | 0 | 114.4 | | |
| 1152 | S | 31.6 | Very low | 32 | Very low | 96 Ų | 96 | 140.2 Ų | 140.2 | 67% | 0.671 | 76% | 0.757 | S | S | * | * | | | trans | -128.5 | 135 | 145.4 | -172.7 | 0 | 0 | 0 | 0 | 107.6 | S1154 | S1152-S1154 PolarHBondContact OG-OG 3.15Š|
| 1153 | L | 34.7 | Very low | 32.1 | Very low | 82 Ų | 82 | 144.6 Ų | 144.6 | 43% | 0.429 | 76% | 0.764 | S | S | . | * | | | trans | -102.9 | 2.2 | -171.1 | -100.5 | 159.1 | 0 | 0 | 0 | 113.3 | E1155 L1335 R1342 | L1153-E1155 PolarHBondContact O-N 3.26Å; L1153-L1335 HydrophobicContact CD1-CD2 3.75Å; L1153-R1342 VanDerWaalsContact CD2-NH2 3.3Å |
| 1154 | S | 34.8 | Very low | 32.3 | Very low | 106 Ų | 106 | 143.9 Ų | 143.9 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | | | trans | -84.2 | 1.3 | -161.4 | -41 | 0 | 0 | 0 | 0 | 116.8 | S1152 | S1152-S1154 PolarHBondContact OG-OG 3.15Š|
| 1155 | E | 33.2 | Very low | 32.5 | Very low | 183 Ų | 183 | 138 Ų | 138 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | | | trans | -120.1 | 40 | -174.3 | -67.8 | -166.4 | 149.6 | 0 | 0 | 113.8 | L1153 C1157 | L1153-E1155 PolarHBondContact O-N 3.26Å; E1155-C1157 VanDerWaalsContact C-N 3.29Å; E1155-C1157 PolarHBondContact O-N 3.34Å; E1155-C1157 VanDerWaalsContact O-N 3.14Å |
| 1156 | I | 33.1 | Very low | 32.7 | Very low | 85 Ų | 85 | 139 Ų | 139 | 44% | 0.436 | 76% | 0.755 | S | S | . | * | | | trans | -81 | 83.1 | 159.8 | -56.7 | 178.2 | 0 | 0 | 0 | 107.7 | T1158 | I1156-T1158 VanDerWaalsContact C-N 3.35Å; I1156-T1158 PolarHBondContact O-N 2.81Å |
| 1157 | C | 31 | Very low | 32.7 | Very low | 122 Ų | 122 | 135.6 Ų | 135.6 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | | | trans | -68.7 | 90.5 | 172.6 | -90.8 | 0 | 0 | 0 | 0 | 110.8 | E1155 K1159 | E1155-C1157 VanDerWaalsContact C-N 3.29Å; E1155-C1157 PolarHBondContact O-N 3.34Å; E1155-C1157 VanDerWaalsContact O-N 3.14Å; C1157-K1159 PolarHBondContact O-N 2.77Å |
| 1158 | T | 36.4 | Very low | 33 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 120.1 | 160.4 | 45.6 | 0 | 0 | 0 | 0 | 108.8 | I1156 P1160 | I1156-T1158 VanDerWaalsContact C-N 3.35Å; I1156-T1158 PolarHBondContact O-N 2.81Å; T1158-P1160 WeakPolarHBondContact O-CD 3.31Å |
| 1159 | K | 35.3 | Very low | 33.5 | Very low | 199 Ų | 199 | 140.6 Ų | 140.6 | 87% | 0.865 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 123.8 | 168.6 | -86.5 | -177.7 | 173.2 | 178.7 | 0 | 108.3 | C1157 Q1161 | C1157-K1159 PolarHBondContact O-N 2.77Å; K1159-Q1161 PolarHBondContact O-N 3.24Å |
| 1160 | P | 36.5 | Very low | 33.5 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 84% | 0.844 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 133.5 | 163.9 | -15.9 | 30.8 | 0 | 0 | 0 | 108.9 | T1158 | T1158-P1160 WeakPolarHBondContact O-CD 3.31Š|
| 1161 | Q | 33.7 | Very low | 33.6 | Very low | 163 Ų | 163 | 132.6 Ų | 132.6 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | | | trans | -111.3 | 154.2 | 169.9 | -157 | 176 | -25.1 | 0 | 0 | 108.7 | K1159 | K1159-Q1161 PolarHBondContact O-N 3.24Š|
| 1162 | H | 32.5 | Very low | 33.8 | Very low | 155 Ų | 155 | 137.1 Ų | 137.1 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | | | trans | 65.8 | 101.5 | -179.3 | -61 | -87.5 | 0 | 0 | 0 | 117.1 | | |
| 1163 | K | 33.2 | Very low | 34.1 | Very low | 209 Ų | 209 | 144.5 Ų | 144.5 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | | | | -127.9 | 156.2 | 116 | -146.4 | 159.5 | -171.4 | 170.8 | 0 | 108.7 | | |
| 1164 | S | 33.2 | Very low | 34.1 | Very low | 112 Ų | 112 | 144.3 Ų | 144.3 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | | | trans | -70.2 | 158.9 | -159.4 | 37.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1165 | A | 33.5 | Very low | 34.2 | Very low | 95 Ų | 95 | 144.7 Ų | 144.7 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | | | trans | -74.2 | 152 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1166 | N | 32 | Very low | 34.4 | Very low | 139 Ų | 139 | 144.9 Ų | 144.9 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | | | trans | -121.6 | 118.7 | 154.9 | -170.8 | 36.2 | 0 | 0 | 0 | 107.6 | D1168 | N1166-D1168 PolarHBondContact O-N 3.49Š|
| 1167 | P | 33 | Very low | 34.4 | Very low | 114 Ų | 114 | 147.9 Ų | 147.9 | 74% | 0.74 | 80% | 0.804 | S | S | * | * | | | trans | -94.7 | 59.4 | -168.6 | 38.3 | -36.5 | 0 | 0 | 0 | 113.1 | | |
| 1168 | D | 35.7 | Very low | 34.7 | Very low | 143 Ų | 143 | 148.4 Ų | 148.4 | 77% | 0.765 | 80% | 0.804 | S | S | * | * | | | trans | -149.9 | 104.6 | 171.1 | -93.8 | -44.5 | 0 | 0 | 0 | 110.5 | N1166 | N1166-D1168 PolarHBondContact O-N 3.49Š|
| 1169 | D | 37.9 | Very low | 34.4 | Very low | 166 Ų | 166 | 153.5 Ų | 153.5 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | | | | -170.2 | 141.5 | 116 | -151.7 | -18.4 | 0 | 0 | 0 | 109.3 | | |
| 1170 | S | 30.5 | Very low | 34.5 | Very low | 102 Ų | 102 | 156 Ų | 156 | 71% | 0.713 | 81% | 0.814 | S | S | * | * | | | trans | -130.5 | 142.3 | -176.6 | 72 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1171 | S | 31.5 | Very low | 34.3 | Very low | 111 Ų | 111 | 160.7 Ų | 160.7 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | | | trans | 72.6 | 92.5 | 177.7 | -159.2 | 0 | 0 | 0 | 0 | 117.5 | | |
| 1172 | R | 36.5 | Very low | 34.4 | Very low | 246 Ų | 246 | 164.5 Ų | 164.5 | 93% | 0.928 | 82% | 0.822 | S | S | * | * | | | | -170.1 | 136.2 | 104.8 | -99.7 | 166.9 | -175.5 | -125.1 | -2 | 112.4 | | |
| 1173 | R | 38.3 | Very low | 34.5 | Very low | 252 Ų | 252 | 168.5 Ų | 168.5 | 95% | 0.951 | 83% | 0.831 | S | S | * | * | | | trans | -88.7 | 139.4 | 169 | -68.3 | -175.7 | -180 | -169.7 | 2 | 109.9 | | |
| 1174 | G | 33.5 | Very low | 34.4 | Very low | 77 Ų | 77 | 163.2 Ų | 163.2 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | | | trans | -157.4 | 115.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1175 | V | 37.6 | Very low | 34.4 | Very low | 114 Ų | 114 | 165.6 Ų | 165.6 | 69% | 0.691 | 82% | 0.823 | S | S | * | * | | | trans | -100.1 | 124.9 | -168.5 | 176.8 | 0 | 0 | 0 | 0 | 111.3 | N1177 | V1175-N1177 HydrophobicContact CG1-CB 4.2Š|
| 1176 | Q | 37.5 | Very low | 34.5 | Very low | 188 Ų | 188 | 166.4 Ų | 166.4 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | | | trans | -114.1 | 120.6 | 155 | -72.3 | -165.2 | -5.5 | 0 | 0 | 109.8 | | |
| 1177 | N | 33.3 | Very low | 34.5 | Very low | 147 Ų | 147 | 166 Ų | 166 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | | | trans | -105.8 | 93 | -167.9 | -113.8 | -29.6 | 0 | 0 | 0 | 111.7 | V1175 | V1175-N1177 HydrophobicContact CG1-CB 4.2Š|
| 1178 | T | 36.6 | Very low | 34.5 | Very low | 134 Ų | 134 | 162.8 Ų | 162.8 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | | | trans | -120.2 | 50 | 178.2 | 45.4 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1179 | R | 31.5 | Very low | 34.4 | Very low | 227 Ų | 227 | 162 Ų | 162 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | | | | 47.4 | 83 | 129.7 | -166.3 | -163.7 | -164.6 | -162 | 8.8 | 117.4 | | |
| 1180 | R | 35.5 | Very low | 34 | Very low | 252 Ų | 252 | 161.1 Ų | 161.1 | 95% | 0.951 | 80% | 0.804 | S | S | * | * | | | trans | -136.3 | 119.3 | 148.1 | -139.5 | 170 | -174 | 172 | 1.3 | 112.2 | R1182 | R1180-R1182 PolarHBondContact O-N 3.13Š|
| 1181 | R | 34.3 | Very low | 34.3 | Very low | 229 Ų | 229 | 164 Ų | 164 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | | | trans | -70.6 | 116.8 | -168.7 | -70.5 | 172.2 | 166.6 | 162.3 | -8.1 | 112.2 | | |
| 1182 | R | 35.2 | Very low | 34.2 | Very low | 242 Ų | 242 | 162.1 Ų | 162.1 | 91% | 0.913 | 80% | 0.797 | S | S | * | * | | | trans | -70.9 | 129.1 | 147.9 | -83.1 | -177.4 | 167.3 | 167.1 | -2.6 | 108.1 | R1180 S1184 | R1180-R1182 PolarHBondContact O-N 3.13Å; R1182-S1184 VanDerWaalsContact C-N 3.34Å; R1182-S1184 PolarHBondContact O-N 2.98Å; R1182-S1184 VanDerWaalsContact O-N 3.13Å |
| 1183 | R | 33.1 | Very low | 34 | Very low | 240 Ų | 240 | 158.2 Ų | 158.2 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | | | trans | -78.2 | 87.6 | 164.9 | -89.5 | -177.3 | 162.3 | 177.5 | -6.4 | 108.1 | | |
| 1184 | S | 33.1 | Very low | 33.9 | Very low | 98 Ų | 98 | 151.3 Ų | 151.3 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | | | trans | -80.5 | 115.3 | 166.1 | -149.9 | 0 | 0 | 0 | 0 | 108.2 | R1182 V1186 | R1182-S1184 VanDerWaalsContact C-N 3.34Å; R1182-S1184 PolarHBondContact O-N 2.98Å; R1182-S1184 VanDerWaalsContact O-N 3.13Å; S1184-V1186 PolarHBondContact O-N 2.68Å; S1184-V1186 VanDerWaalsContact O-N 3.07Å; S1184-V1186 WeakPolarHBondContact OG-CG2 3.44Å |
| 1185 | L | 32.5 | Very low | 34 | Very low | 161 Ų | 161 | 156.6 Ų | 156.6 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | | | trans | -82.7 | 72 | 172.2 | -105.3 | 161.7 | 0 | 0 | 0 | 108.6 | T1187 | L1185-T1187 PolarHBondContact O-N 2.91Š|
| 1186 | V | 34.9 | Very low | 33.7 | Very low | 113 Ų | 113 | 155.8 Ų | 155.8 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | | | trans | -89.4 | 86 | 172.2 | -176.3 | 0 | 0 | 0 | 0 | 108.1 | S1184 G1188 | S1184-V1186 PolarHBondContact O-N 2.68Å; S1184-V1186 VanDerWaalsContact O-N 3.07Å; S1184-V1186 WeakPolarHBondContact OG-CG2 3.44Å; V1186-G1188 PolarHBondContact O-N 3.09Å; V1186-G1188 VanDerWaalsContact O-N 3.08Å |
| 1187 | T | 33.1 | Very low | 33.6 | Very low | 131 Ų | 131 | 154 Ų | 154 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | -78.7 | 64.7 | 157.5 | 45.1 | 0 | 0 | 0 | 0 | 108.7 | L1185 | L1185-T1187 PolarHBondContact O-N 2.91Š|
| 1188 | G | 31.7 | Very low | 33.9 | Very low | 45 Ų | 45 | 154.9 Ų | 154.9 | 46% | 0.464 | 79% | 0.789 | S | S | . | * | | | trans | -99.6 | 106.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | V1186 N1190 | V1186-G1188 PolarHBondContact O-N 3.09Å; V1186-G1188 VanDerWaalsContact O-N 3.08Å; G1188-N1190 PolarHBondContact O-N 3.47Å; G1188-N1190 VanDerWaalsContact O-N 3.16Å |
| 1189 | T | 33.4 | Very low | 33.7 | Very low | 126 Ų | 126 | 158.2 Ų | 158.2 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | | | trans | -78 | 92.7 | 174.6 | 42.9 | 0 | 0 | 0 | 0 | 109.5 | L1191 | T1189-L1191 VanDerWaalsContact C-N 3.28Å; T1189-L1191 PolarHBondContact O-N 2.82Å |
| 1190 | N | 31.1 | Very low | 33.8 | Very low | 149 Ų | 149 | 151.9 Ų | 151.9 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | | | trans | -70.3 | 85 | 170.4 | -69.2 | -19.4 | 0 | 0 | 0 | 109.8 | G1188 | G1188-N1190 PolarHBondContact O-N 3.47Å; G1188-N1190 VanDerWaalsContact O-N 3.16Å |
| 1191 | L | 35.9 | Very low | 33.9 | Very low | 163 Ų | 163 | 149.5 Ų | 149.5 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | | | trans | -102.2 | 74.5 | 160 | -86.2 | 84.5 | 0 | 0 | 0 | 108.9 | T1189 | T1189-L1191 VanDerWaalsContact C-N 3.28Å; T1189-L1191 PolarHBondContact O-N 2.82Å |
| 1192 | S | 29 | Very low | 33.6 | Very low | 71 Ų | 71 | 142.8 Ų | 142.8 | 50% | 0.497 | 78% | 0.784 | S | S | . | * | | | trans | -157.1 | 152.7 | 164.1 | 56.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 1193 | H | 32.8 | Very low | 33.4 | Very low | 163 Ų | 163 | 134.6 Ų | 134.6 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 68.1 | 66.8 | -171.4 | -54.6 | -72.2 | 0 | 0 | 0 | 116.3 | | |
| 1194 | A | 35.8 | Very low | 33.4 | Very low | 108 Ų | 108 | 130.2 Ų | 130.2 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -142.7 | 20.9 | 154.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1195 | E | 35.6 | Very low | 33.7 | Very low | 188 Ų | 188 | 134.6 Ų | 134.6 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | | | trans | -148.1 | 55.6 | -168.7 | -159.9 | 156.2 | -152.5 | 0 | 0 | 111.3 | | |
| 1196 | S | 31.3 | Very low | 33.7 | Very low | 97 Ų | 97 | 133 Ų | 133 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -145.6 | 31.8 | 175.8 | 67.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1197 | D | 36.6 | Very low | 33.8 | Very low | 151 Ų | 151 | 136.1 Ų | 136.1 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -154.3 | 89 | 174.9 | -97.6 | -45.6 | 0 | 0 | 0 | 108.5 | | |
| 1198 | I | 38.4 | Very low | 33.9 | Very low | 165 Ų | 165 | 137.2 Ų | 137.2 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | | | trans | 172.8 | 57.9 | 157 | -86.9 | 150.6 | 0 | 0 | 0 | 108 | S1200 | I1198-S1200 PolarHBondContact O-N 3.34Š|
| 1199 | Q | 32.7 | Very low | 33.9 | Very low | 203 Ų | 203 | 140 Ų | 140 | 95% | 0.949 | 80% | 0.796 | S | S | * | * | | | trans | -93.6 | 76.7 | 160.6 | -81 | -163.9 | -1.5 | 0 | 0 | 110.1 | | |
| 1200 | S | 33.6 | Very low | 34.1 | Very low | 94 Ų | 94 | 142.3 Ų | 142.3 | 66% | 0.657 | 80% | 0.803 | S | S | * | * | | | trans | -166.3 | 152.4 | 150.5 | 61.4 | 0 | 0 | 0 | 0 | 111.9 | I1198 | I1198-S1200 PolarHBondContact O-N 3.34Š|
| 1201 | K | 37.7 | Very low | 34.2 | Very low | 203 Ų | 203 | 139.7 Ų | 139.7 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 66 | 72.5 | 170.3 | -56.1 | -167.5 | -180 | -173.6 | 0 | 117.1 | | |
| 1202 | G | 28.8 | Very low | 34.3 | Very low | 88 Ų | 88 | 136.7 Ų | 136.7 | 91% | 0.907 | 78% | 0.779 | S | S | * | * | | | trans | 31.9 | 108.2 | 131 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 1203 | G | 30.3 | Very low | 34.9 | Very low | 70 Ų | 70 | 137.1 Ų | 137.1 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | | | trans | -167.1 | 93.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110 | K1205 | G1203-K1205 PolarHBondContact O-N 2.88Š|
| 1204 | V | 32.9 | Very low | 35.2 | Very low | 148 Ų | 148 | 138.6 Ų | 138.6 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | | | trans | -62.7 | 118.9 | 178.4 | -179.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1205 | K | 38.7 | Very low | 35.5 | Very low | 190 Ų | 190 | 141.6 Ų | 141.6 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | | | trans | -144.4 | 140.4 | 171.5 | -79.4 | -168.6 | 172.9 | -179.2 | 0 | 109.9 | G1203 | G1203-K1205 PolarHBondContact O-N 2.88Š|
| 1206 | D | 32.5 | Very low | 36.1 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 68% | 0.684 | 74% | 0.742 | S | S | * | * | | | trans | -77.3 | 128.1 | -161.3 | -46.8 | -88.6 | 0 | 0 | 0 | 113.2 | N1208 | D1206-N1208 PolarHBondContact O-N 2.82Š|
| 1207 | M | 37 | Very low | 36.9 | Very low | 178 Ų | 178 | 134 Ų | 134 | 88% | 0.877 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -73.9 | 20.7 | 174.2 | -80 | -66.8 | -157.2 | 0 | 0 | 113.9 | | |
| 1208 | N | 35.4 | Very low | 37.8 | Very low | 153 Ų | 153 | 134 Ų | 134 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | | | trans | -104.4 | 32.6 | -170.8 | -70.5 | -13.7 | 0 | 0 | 0 | 113.7 | D1206 | D1206-N1208 PolarHBondContact O-N 2.82Š|
| 1209 | S | 32.6 | Very low | 38.3 | Very low | 104 Ų | 104 | 129 Ų | 129 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | | | trans | -123 | 7.9 | -172.7 | 60.8 | 0 | 0 | 0 | 0 | 116.8 | N1211 | S1209-N1211 VanDerWaalsContact C-N 3.29Å; S1209-N1211 PolarHBondContact O-N 3.36Å |
| 1210 | L | 36.7 | Very low | 39.5 | Very low | 175 Ų | 175 | 124.5 Ų | 124.5 | 92% | 0.916 | 69% | 0.688 | S | S | * | * | | | trans | -70.8 | 85.7 | 163.5 | -90.4 | 166.8 | 0 | 0 | 0 | 109.8 | P1212 | L1210-P1212 VanDerWaalsContact O-CD 3.25Å; L1210-P1212 WeakPolarHBondContact O-CD 3.48Å |
| 1211 | N | 34.1 | Very low | 40.8 | Very low | 94 Ų | 94 | 127.9 Ų | 127.9 | 50% | 0.503 | 69% | 0.686 | S | S | . | * | | | trans | -71.1 | 110 | -169 | -177.9 | 2.6 | 0 | 0 | 0 | 113.1 | S1209 N1213 | S1209-N1211 VanDerWaalsContact C-N 3.29Å; S1209-N1211 PolarHBondContact O-N 3.36Å; N1211-N1213 PolarHBondContact O-N 2.7Å; N1211-N1213 VanDerWaalsContact O-N 3.08Å; N1211-N1213 VanDerWaalsContact OD1-CB 3.28Å; N1211-N1213 WeakPolarHBondContact OD1-CB 3.28Å; N1211-N1213 PolarHBondContact OD1-N 2.91Å; N1211-N1213 VanDerWaalsContact OD1-N 3.11Å; N1211-N1213 PolarHBondContact OD1-ND2 2.81Å |
| 1212 | P | 37.9 | Very low | 41.8 | Very low | 99 Ų | 99 | 123.3 Ų | 123.3 | 64% | 0.643 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -5.2 | -177.3 | 31 | -36.6 | 0 | 0 | 0 | 113.8 | L1210 Y1214 E1215 S1216 | L1210-P1212 VanDerWaalsContact O-CD 3.25Å; L1210-P1212 WeakPolarHBondContact O-CD 3.48Å; P1212-Y1214 VanDerWaalsContact C-N 3.26Å; P1212-Y1214 PolarHBondContact O-N 3.1Å; P1212-E1215 PolarHBondContact O-N 2.99Å; P1212-S1216 PolarHBondContact O-N 2.79Å |
| 1213 | N | 41.1 | Very low | 43.1 | Very low | 80 Ų | 80 | 122.8 Ų | 122.8 | 43% | 0.428 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -68.8 | -18.8 | -177.3 | -73.6 | -78.1 | 0 | 0 | 0 | 114.3 | N1211 S1216 N1217 | N1211-N1213 PolarHBondContact O-N 2.7Å; N1211-N1213 VanDerWaalsContact O-N 3.08Å; N1211-N1213 VanDerWaalsContact OD1-CB 3.28Å; N1211-N1213 WeakPolarHBondContact OD1-CB 3.28Å; N1211-N1213 PolarHBondContact OD1-N 2.91Å; N1211-N1213 VanDerWaalsContact OD1-N 3.11Å; N1211-N1213 PolarHBondContact OD1-ND2 2.81Å; N1213-S1216 PolarHBondContact O-OG 3.31Å; N1213-N1217 WeakPolarHBondContact O-CB 3.24Å; N1213-N1217 PolarHBondContact O-N 3.37Å; N1213-N1217 PolarHBondContact O-ND2 3.48Å |
| 1214 | Y | 40 | Very low | 44.9 | Very low | 195 Ų | 195 | 125.8 Ų | 125.8 | 77% | 0.765 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -68.8 | -41.7 | 176.4 | -98.2 | -82.5 | 0 | 0 | 0 | 112.6 | P1212 N1217 | P1212-Y1214 VanDerWaalsContact C-N 3.26Å; P1212-Y1214 PolarHBondContact O-N 3.1Å; Y1214-N1217 PolarHBondContact O-N 3.25Å |
| 1215 | E | 41.8 | Very low | 46.1 | Very low | 170 Ų | 170 | 123.3 Ų | 123.3 | 79% | 0.794 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -76.4 | -39.3 | -179.4 | -154.6 | 157.2 | -149.1 | 0 | 0 | 111.1 | P1212 N1217 E1218 A1219 | P1212-E1215 PolarHBondContact O-N 2.99Å; E1215-N1217 PolarHBondContact O-N 2.9Å; E1215-E1218 PolarHBondContact O-N 2.96Å; E1215-A1219 PolarHBondContact O-N 3.41Å |
| 1216 | S | 48.2 | Very low | 46.9 | Very low | 35 Ų | 35 | 117.4 Ų | 117.4 | 25% | 0.245 | 60% | 0.603 | C | S | . | * | H | α-helix | trans | -63.3 | -23.2 | 173.7 | 86.4 | 0 | 0 | 0 | 0 | 113.5 | P1212 N1213 K1220 | P1212-S1216 PolarHBondContact O-N 2.79Å; N1213-S1216 PolarHBondContact O-OG 3.31Å; S1216-K1220 VanDerWaalsContact O-CB 3.29Å; S1216-K1220 WeakPolarHBondContact O-CB 3.42Å; S1216-K1220 WeakPolarHBondContact O-CD 3.39Å; S1216-K1220 WeakPolarHBondContact O-CG 3.29Å; S1216-K1220 PolarHBondContact O-N 3.17Å; S1216-K1220 PolarHBondContact OG-NZ 3.04Å |
| 1217 | N | 48.4 | Very low | 48.5 | Very low | 91 Ų | 91 | 116.3 Ų | 116.3 | 49% | 0.487 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -73.3 | -31.8 | 177 | -85.1 | -34 | 0 | 0 | 0 | 113 | N1213 Y1214 E1215 R1221 | N1213-N1217 WeakPolarHBondContact O-CB 3.24Å; N1213-N1217 PolarHBondContact O-N 3.37Å; N1213-N1217 PolarHBondContact O-ND2 3.48Å; Y1214-N1217 PolarHBondContact O-N 3.25Å; E1215-N1217 PolarHBondContact O-N 2.9Å; N1217-R1221 VanDerWaalsContact O-CB 3.3Å; N1217-R1221 WeakPolarHBondContact O-CB 3.49Å; N1217-R1221 PolarHBondContact O-N 3.26Å; N1217-R1221 VanDerWaalsContact O-N 3.17Å |
| 1218 | E | 54.7 | Low | 49.9 | Very low | 152 Ų | 152 | 110.3 Ų | 110.3 | 71% | 0.71 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -73.1 | -40.5 | 172.4 | -62.6 | -150.4 | 142.5 | 0 | 0 | 110.9 | E1215 R1221 L1222 | E1215-E1218 PolarHBondContact O-N 2.96Å; E1218-R1221 PolarHBondContact O-N 3.37Å; E1218-L1222 PolarHBondContact O-N 3.3Å |
| 1219 | A | 49.9 | Very low | 50.8 | Low | 58 Ų | 58 | 106.5 Ų | 106.5 | 48% | 0.479 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.6 | -49.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E1215 R1221 L1222 V1223 | E1215-A1219 PolarHBondContact O-N 3.41Å; A1219-R1221 PolarHBondContact O-N 3.09Å; A1219-L1222 WeakPolarHBondContact O-CB 3.49Å; A1219-L1222 PolarHBondContact O-N 2.95Å; A1219-V1223 WeakPolarHBondContact O-CG2 3.38Å; A1219-V1223 PolarHBondContact O-N 2.82Å |
| 1220 | K | 56.5 | Low | 51.7 | Low | 110 Ų | 110 | 107.7 Ų | 107.7 | 48% | 0.478 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -58.8 | -36.2 | 176.1 | -75.8 | 162.7 | -176.3 | 156 | 0 | 112.3 | S1216 Q1224 | S1216-K1220 VanDerWaalsContact O-CB 3.29Å; S1216-K1220 WeakPolarHBondContact O-CB 3.42Å; S1216-K1220 WeakPolarHBondContact O-CD 3.39Å; S1216-K1220 WeakPolarHBondContact O-CG 3.29Å; S1216-K1220 PolarHBondContact O-N 3.17Å; S1216-K1220 PolarHBondContact OG-NZ 3.04Å; K1220-Q1224 WeakPolarHBondContact O-CG 3.32Å; K1220-Q1224 PolarHBondContact O-N 3.19Å |
| 1221 | R | 61.1 | Low | 53 | Low | 165 Ų | 165 | 101.7 Ų | 101.7 | 62% | 0.623 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -69.8 | -42.6 | 176.5 | -168.5 | -177.2 | -163.2 | 165.4 | 9.1 | 112.2 | N1217 E1218 A1219 V1223 Q1224 D1225 | N1217-R1221 VanDerWaalsContact O-CB 3.3Å; N1217-R1221 WeakPolarHBondContact O-CB 3.49Å; N1217-R1221 PolarHBondContact O-N 3.26Å; N1217-R1221 VanDerWaalsContact O-N 3.17Å; E1218-R1221 PolarHBondContact O-N 3.37Å; A1219-R1221 PolarHBondContact O-N 3.09Å; R1221-V1223 VanDerWaalsContact C-N 3.29Å; R1221-V1223 PolarHBondContact O-N 2.84Å; R1221-Q1224 PolarHBondContact O-N 2.84Å; R1221-D1225 PolarHBondContact O-N 3.16Å |
| 1222 | L | 58.8 | Low | 54.5 | Low | 107 Ų | 107 | 103.9 Ų | 103.9 | 56% | 0.56 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -58.2 | -43.3 | 174 | -169.4 | 75.8 | 0 | 0 | 0 | 111 | E1218 A1219 D1225 I1226 | E1218-L1222 PolarHBondContact O-N 3.3Å; A1219-L1222 WeakPolarHBondContact O-CB 3.49Å; A1219-L1222 PolarHBondContact O-N 2.95Å; L1222-D1225 PolarHBondContact O-N 3.23Å; L1222-I1226 HydrophobicContact CG-CD1 4.08Å; L1222-I1226 WeakPolarHBondContact O-CB 3.41Å; L1222-I1226 WeakPolarHBondContact O-CD1 3.37Å; L1222-I1226 VanDerWaalsContact O-CG1 3.25Å; L1222-I1226 WeakPolarHBondContact O-CG1 3.31Å; L1222-I1226 PolarHBondContact O-N 3.49Å |
| 1223 | V | 57.8 | Low | 55.3 | Low | 77 Ų | 77 | 103.5 Ų | 103.5 | 47% | 0.467 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 175.4 | 173.3 | 0 | 0 | 0 | 0 | 111.8 | A1219 R1221 I1226 L1227 | A1219-V1223 WeakPolarHBondContact O-CG2 3.38Å; A1219-V1223 PolarHBondContact O-N 2.82Å; R1221-V1223 VanDerWaalsContact C-N 3.29Å; R1221-V1223 PolarHBondContact O-N 2.84Å; V1223-I1226 PolarHBondContact O-N 3.14Å; V1223-L1227 HydrophobicContact CG1-CD1 4.11Å; V1223-L1227 WeakPolarHBondContact O-CG 3.34Å; V1223-L1227 PolarHBondContact O-N 3.04Å |
| 1224 | Q | 67.4 | Low | 56.3 | Low | 133 Ų | 133 | 107 Ų | 107 | 62% | 0.621 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.7 | -43 | 174.7 | -75.6 | -177.3 | -7.7 | 0 | 0 | 112.7 | K1220 R1221 I1226 L1227 A1228 | K1220-Q1224 WeakPolarHBondContact O-CG 3.32Å; K1220-Q1224 PolarHBondContact O-N 3.19Å; R1221-Q1224 PolarHBondContact O-N 2.84Å; Q1224-I1226 VanDerWaalsContact C-N 3.33Å; Q1224-I1226 PolarHBondContact O-N 3.02Å; Q1224-L1227 PolarHBondContact O-N 3.09Å; Q1224-A1228 WeakPolarHBondContact O-CB 3.24Å; Q1224-A1228 PolarHBondContact O-N 2.95Å |
| 1225 | D | 57.6 | Low | 57.3 | Low | 95 Ų | 95 | 104.9 Ų | 104.9 | 51% | 0.508 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.5 | -37.4 | 176.6 | -71.6 | -21.2 | 0 | 0 | 0 | 111 | R1221 L1222 A1228 V1229 | R1221-D1225 PolarHBondContact O-N 3.16Å; L1222-D1225 PolarHBondContact O-N 3.23Å; D1225-A1228 PolarHBondContact O-N 2.91Å; D1225-V1229 VanDerWaalsContact O-CG2 3.32Å; D1225-V1229 WeakPolarHBondContact O-CG2 3.49Å; D1225-V1229 PolarHBondContact O-N 3.07Å |
| 1226 | I | 55.6 | Low | 57.8 | Low | 66 Ų | 66 | 99.9 Ų | 99.9 | 34% | 0.338 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.5 | -43.2 | 174 | -71.1 | 164.5 | 0 | 0 | 0 | 111.8 | L1222 V1223 Q1224 V1229 R1230 | L1222-I1226 HydrophobicContact CG-CD1 4.08Å; L1222-I1226 WeakPolarHBondContact O-CB 3.41Å; L1222-I1226 WeakPolarHBondContact O-CD1 3.37Å; L1222-I1226 VanDerWaalsContact O-CG1 3.25Å; L1222-I1226 WeakPolarHBondContact O-CG1 3.31Å; L1222-I1226 PolarHBondContact O-N 3.49Å; V1223-I1226 PolarHBondContact O-N 3.14Å; Q1224-I1226 VanDerWaalsContact C-N 3.33Å; Q1224-I1226 PolarHBondContact O-N 3.02Å; I1226-V1229 PolarHBondContact O-N 3.4Å; I1226-R1230 PolarHBondContact O-N 3.33Å |
| 1227 | L | 66.3 | Low | 57.2 | Low | 106 Ų | 106 | 100.8 Ų | 100.8 | 56% | 0.555 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65 | -39.6 | 177.2 | -73.1 | 170.2 | 0 | 0 | 0 | 111.8 | V1223 Q1224 R1230 A1231 | V1223-L1227 HydrophobicContact CG1-CD1 4.11Å; V1223-L1227 WeakPolarHBondContact O-CG 3.34Å; V1223-L1227 PolarHBondContact O-N 3.04Å; Q1224-L1227 PolarHBondContact O-N 3.09Å; L1227-R1230 PolarHBondContact O-N 2.95Å; L1227-A1231 PolarHBondContact O-N 2.98Å |
| 1228 | A | 65.6 | Low | 56.7 | Low | 52 Ų | 52 | 104.6 Ų | 104.6 | 43% | 0.43 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q1224 D1225 R1230 A1231 E1232 | Q1224-A1228 WeakPolarHBondContact O-CB 3.24Å; Q1224-A1228 PolarHBondContact O-N 2.95Å; D1225-A1228 PolarHBondContact O-N 2.91Å; A1228-R1230 PolarHBondContact O-N 2.88Å; A1228-A1231 PolarHBondContact O-N 3.14Å; A1228-E1232 PolarHBondContact O-N 2.91Å |
| 1229 | V | 55.9 | Low | 56 | Low | 73 Ų | 73 | 103.6 Ų | 103.6 | 44% | 0.442 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66.4 | -33.3 | 176.1 | 170.9 | 0 | 0 | 0 | 0 | 112.4 | D1225 I1226 Q1233 | D1225-V1229 VanDerWaalsContact O-CG2 3.32Å; D1225-V1229 WeakPolarHBondContact O-CG2 3.49Å; D1225-V1229 PolarHBondContact O-N 3.07Å; I1226-V1229 PolarHBondContact O-N 3.4Å; V1229-Q1233 VanDerWaalsContact O-CG 3.32Å; V1229-Q1233 WeakPolarHBondContact O-CG 3.45Å; V1229-Q1233 PolarHBondContact O-N 3.07Å |
| 1230 | R | 50.7 | Low | 55.3 | Low | 129 Ų | 129 | 108.9 Ų | 108.9 | 49% | 0.487 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.7 | -46.6 | 171.2 | -72.8 | -166.9 | -171.5 | -163 | 5.8 | 111.6 | I1226 L1227 A1228 E1232 Q1233 E1234 | I1226-R1230 PolarHBondContact O-N 3.33Å; L1227-R1230 PolarHBondContact O-N 2.95Å; A1228-R1230 PolarHBondContact O-N 2.88Å; R1230-E1232 VanDerWaalsContact C-N 3.34Å; R1230-E1232 PolarHBondContact O-N 2.96Å; R1230-Q1233 WeakPolarHBondContact O-CB 3.46Å; R1230-Q1233 PolarHBondContact O-N 3.33Å; R1230-E1234 PolarHBondContact O-N 2.85Å |
| 1231 | A | 63.7 | Low | 54.3 | Low | 48 Ų | 48 | 113 Ų | 113 | 40% | 0.397 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -59 | -44 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1227 A1228 Q1233 E1234 D1235 | L1227-A1231 PolarHBondContact O-N 2.98Å; A1228-A1231 PolarHBondContact O-N 3.14Å; A1231-Q1233 VanDerWaalsContact C-N 3.29Å; A1231-Q1233 PolarHBondContact O-N 3.38Å; A1231-E1234 PolarHBondContact O-N 3.33Å; A1231-D1235 WeakPolarHBondContact O-CB 3.43Å; A1231-D1235 PolarHBondContact O-N 2.69Å |
| 1232 | E | 65.8 | Low | 53.1 | Low | 141 Ų | 141 | 110.4 Ų | 110.4 | 66% | 0.659 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63.3 | -30.1 | 173.7 | -72.7 | -170.7 | 170.8 | 0 | 0 | 113.2 | A1228 R1230 S1236 | A1228-E1232 PolarHBondContact O-N 2.91Å; R1230-E1232 VanDerWaalsContact C-N 3.34Å; R1230-E1232 PolarHBondContact O-N 2.96Å; E1232-S1236 WeakPolarHBondContact O-CB 3.47Å; E1232-S1236 PolarHBondContact O-N 3.44Å; E1232-S1236 PolarHBondContact O-OG 2.91Å |
| 1233 | Q | 53.8 | Low | 52 | Low | 91 Ų | 91 | 109.8 Ų | 109.8 | 43% | 0.425 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -75.1 | -36.2 | 175.4 | -77.2 | 178 | 5.7 | 0 | 0 | 113.1 | V1229 R1230 A1231 S1236 G1237 F1238 | V1229-Q1233 VanDerWaalsContact O-CG 3.32Å; V1229-Q1233 WeakPolarHBondContact O-CG 3.45Å; V1229-Q1233 PolarHBondContact O-N 3.07Å; R1230-Q1233 WeakPolarHBondContact O-CB 3.46Å; R1230-Q1233 PolarHBondContact O-N 3.33Å; A1231-Q1233 VanDerWaalsContact C-N 3.29Å; A1231-Q1233 PolarHBondContact O-N 3.38Å; Q1233-S1236 PolarHBondContact O-OG 3.19Å; Q1233-G1237 PolarHBondContact O-N 3.16Å; Q1233-F1238 PolarHBondContact O-N 3.26Å |
| 1234 | E | 62.4 | Low | 51.1 | Low | 152 Ų | 152 | 110.1 Ų | 110.1 | 71% | 0.71 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.5 | -50.9 | 173.1 | -70.5 | 175.5 | -174.9 | 0 | 0 | 110.7 | R1230 A1231 S1236 G1237 | R1230-E1234 PolarHBondContact O-N 2.85Å; A1231-E1234 PolarHBondContact O-N 3.33Å; E1234-S1236 VanDerWaalsContact C-N 3.31Å; E1234-S1236 PolarHBondContact O-N 2.8Å; E1234-G1237 PolarHBondContact O-N 3.03Å; E1234-G1237 VanDerWaalsContact O-N 3.15Å |
| 1235 | D | 62.7 | Low | 49.8 | Very low | 151 Ų | 151 | 111.8 Ų | 111.8 | 81% | 0.807 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61.7 | -33.1 | 177.5 | -87.1 | -17.5 | 0 | 0 | 0 | 113.4 | A1231 G1237 | A1231-D1235 WeakPolarHBondContact O-CB 3.43Å; A1231-D1235 PolarHBondContact O-N 2.69Å; D1235-G1237 VanDerWaalsContact C-N 3.34Å |
| 1236 | S | 51 | Low | 48.9 | Very low | 66 Ų | 66 | 113.3 Ų | 113.3 | 46% | 0.462 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.4 | -5.4 | 179.2 | 64 | 0 | 0 | 0 | 0 | 114.2 | E1232 Q1233 E1234 F1238 | E1232-S1236 WeakPolarHBondContact O-CB 3.47Å; E1232-S1236 PolarHBondContact O-N 3.44Å; E1232-S1236 PolarHBondContact O-OG 2.91Å; Q1233-S1236 PolarHBondContact O-OG 3.19Å; E1234-S1236 VanDerWaalsContact C-N 3.31Å; E1234-S1236 PolarHBondContact O-N 2.8Å; S1236-F1238 PolarHBondContact O-N 2.79Å |
| 1237 | G | 35.7 | Very low | 48.2 | Very low | 54 Ų | 54 | 112 Ų | 112 | 56% | 0.557 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.1 | 18.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q1233 E1234 D1235 V1239 | Q1233-G1237 PolarHBondContact O-N 3.16Å; E1234-G1237 PolarHBondContact O-N 3.03Å; E1234-G1237 VanDerWaalsContact O-N 3.15Å; D1235-G1237 VanDerWaalsContact C-N 3.34Å; G1237-V1239 PolarHBondContact O-N 3.15Å |
| 1238 | F | 38.9 | Very low | 47.2 | Very low | 171 Ų | 171 | 109 Ų | 109 | 75% | 0.75 | 59% | 0.586 | S | S | * | * | | | trans | -77.9 | 42.6 | -179.2 | -97.3 | -87.3 | 0 | 0 | 0 | 113.1 | Q1233 S1236 R1240 | Q1233-F1238 PolarHBondContact O-N 3.26Å; S1236-F1238 PolarHBondContact O-N 2.79Å; F1238-R1240 PolarHBondContact O-N 2.78Å |
| 1239 | V | 40 | Very low | 46.3 | Very low | 131 Ų | 131 | 108.4 Ų | 108.4 | 79% | 0.794 | 58% | 0.576 | S | S | * | * | | | trans | -73.2 | 71.4 | -179.2 | -170.7 | 0 | 0 | 0 | 0 | 110.4 | G1237 | G1237-V1239 PolarHBondContact O-N 3.15Š|
| 1240 | R | 35 | Very low | 46.2 | Very low | 169 Ų | 169 | 108.4 Ų | 108.4 | 64% | 0.638 | 57% | 0.573 | S | S | * | * | | | trans | -141.5 | 9.5 | 178.4 | -124.4 | -179.3 | -171.5 | -169.9 | 3.7 | 117.7 | F1238 | F1238-R1240 PolarHBondContact O-N 2.78Š|
| 1241 | F | 35.2 | Very low | 46 | Very low | 196 Ų | 196 | 106 Ų | 106 | 86% | 0.86 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -132.2 | 115.6 | 158.9 | -82.1 | -82.6 | 0 | 0 | 0 | 109.3 | L1243 | F1241-L1243 PolarHBondContact O-N 3.12Å; F1241-L1243 VanDerWaalsContact O-N 3.11Å |
| 1242 | P | 35.2 | Very low | 45.6 | Very low | 110 Ų | 110 | 107.8 Ų | 107.8 | 71% | 0.714 | 58% | 0.576 | S | S | * | * | | | trans | -75.9 | 100.5 | 176.5 | 30.4 | -32.3 | 0 | 0 | 0 | 109.7 | T1244 | P1242-T1244 PolarHBondContact O-N 3.4Š|
| 1243 | L | 35.1 | Very low | 45 | Very low | 94 Ų | 94 | 101.7 Ų | 101.7 | 49% | 0.492 | 55% | 0.55 | S | S | . | * | | | trans | -70 | 87.7 | 155.6 | -68.6 | 174.8 | 0 | 0 | 0 | 107.2 | F1241 I1245 I1251 | F1241-L1243 PolarHBondContact O-N 3.12Å; F1241-L1243 VanDerWaalsContact O-N 3.11Å; L1243-I1245 PolarHBondContact O-N 3.17Å; L1243-I1251 HydrophobicContact CD1-CD1 4.28Å; L1243-I1251 HydrophobicContact CD2-CD1 4.44Å; L1243-I1251 HydrophobicContact CD2-CG1 4.04Å |
| 1244 | T | 39.2 | Very low | 44.9 | Very low | 84 Ų | 84 | 103.5 Ų | 103.5 | 52% | 0.515 | 55% | 0.553 | S | S | . | * | | | trans | -58.7 | 135.7 | 176.6 | 43.4 | 0 | 0 | 0 | 0 | 109.9 | P1242 T1246 | P1242-T1244 PolarHBondContact O-N 3.4Å; T1244-T1246 PolarHBondContact O-N 3.34Å |
| 1245 | I | 39.8 | Very low | 44.6 | Very low | 168 Ų | 168 | 104.4 Ų | 104.4 | 86% | 0.862 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 14.9 | -158.8 | -16.3 | 178.1 | 0 | 0 | 0 | 114.8 | L1243 | L1243-I1245 PolarHBondContact O-N 3.17Š|
| 1246 | T | 40.6 | Very low | 44.4 | Very low | 127 Ų | 127 | 99.6 Ų | 99.6 | 78% | 0.779 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.2 | 3.1 | -165 | 51.9 | 0 | 0 | 0 | 0 | 114 | T1244 | T1244-T1246 PolarHBondContact O-N 3.34Š|
| 1247 | S | 40.1 | Very low | 44.7 | Very low | 39 Ų | 39 | 98.7 Ų | 98.7 | 27% | 0.273 | 52% | 0.516 | S | S | . | . | | | trans | -106.3 | 113.8 | 176.3 | 73.1 | 0 | 0 | 0 | 0 | 112.5 | L1249 W1254 | S1247-L1249 PolarHBondContact O-N 3.02Å; S1247-L1249 PolarHBondContact OG-O 3.21Å; S1247-W1254 PolarHBondContact OG-NE1 3.16Å |
| 1248 | V | 44.4 | Very low | 45.9 | Very low | 43 Ų | 43 | 102 Ų | 102 | 26% | 0.261 | 52% | 0.516 | S | S | . | . | | | trans | -77.2 | -11.6 | 175.3 | 178.2 | 0 | 0 | 0 | 0 | 112.6 | I1368 L1371 I1372 L1375 | V1248-I1368 HydrophobicContact CB-CG2 4.21Å; V1248-I1368 HydrophobicContact CG1-CB 4.45Å; V1248-I1368 HydrophobicContact CG1-CG2 3.97Å; V1248-L1371 HydrophobicContact CG1-CB 4.13Å; V1248-L1371 HydrophobicContact CG1-CD2 3.56Å; V1248-L1371 HydrophobicContact CG1-CG 4.47Å; V1248-I1372 HydrophobicContact CB-CD1 4.48Å; V1248-I1372 HydrophobicContact CB-CG1 3.81Å; V1248-I1372 HydrophobicContact CG1-CG1 4.19Å; V1248-I1372 HydrophobicContact CG2-CB 4.47Å; V1248-I1372 HydrophobicContact CG2-CG1 3.47Å; V1248-I1372 VanDerWaalsContact CG2-CG1 3.47Å; V1248-L1375 HydrophobicContact CG2-CD1 3.97Å |
| 1249 | L | 48 | Very low | 46.9 | Very low | 39 Ų | 39 | 97 Ų | 97 | 20% | 0.204 | 50% | 0.502 | C | S | . | . | S | Bend | trans | -73.6 | 127.7 | 162.6 | -70.4 | 144 | 0 | 0 | 0 | 110.2 | S1247 W1254 L1257 I1368 | S1247-L1249 PolarHBondContact O-N 3.02Å; S1247-L1249 PolarHBondContact OG-O 3.21Å; L1249-W1254 HydrophobicContact CB-CD2 4.42Å; L1249-W1254 HydrophobicContact CB-CG 4.26Å; L1249-W1254 VanDerWaalsContact O-CD1 3.29Å; L1249-W1254 PolarHBondContact O-NE1 3.03Å; L1249-L1257 HydrophobicContact CD1-CD1 3.51Å; L1249-L1257 HydrophobicContact CD2-CD1 4.26Å; L1249-I1368 HydrophobicContact CD2-CD1 3.68Å; L1249-I1368 HydrophobicContact CG-CD1 4.19Å |
| 1250 | D | 54.2 | Low | 48.1 | Very low | 74 Ų | 74 | 91.1 Ų | 91.1 | 40% | 0.396 | 47% | 0.467 | S | S | . | . | | | trans | -72.5 | 176.5 | 171 | 73.5 | -34.6 | 0 | 0 | 0 | 111.4 | T1252 G1253 W1254 | D1250-T1252 PolarHBondContact O-N 3.2Å; D1250-T1252 VanDerWaalsContact O-N 3.08Å; D1250-T1252 WeakPolarHBondContact OD2-CB 3.19Å; D1250-T1252 PolarHBondContact OD2-N 2.97Å; D1250-T1252 PolarHBondContact OD2-OG1 3.06Å; D1250-G1253 PolarHBondContact O-N 3.39Å; D1250-G1253 VanDerWaalsContact O-N 3.1Å; D1250-G1253 PolarHBondContact OD1-N 3.23Å; D1250-W1254 PolarHBondContact O-N 2.85Å |
| 1251 | I | 44.9 | Very low | 49.7 | Very low | 77 Ų | 77 | 88.1 Ų | 88.1 | 40% | 0.395 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -55.2 | -30.8 | 176.3 | -64.9 | 173.3 | 0 | 0 | 0 | 110.8 | L1243 R1255 | L1243-I1251 HydrophobicContact CD1-CD1 4.28Å; L1243-I1251 HydrophobicContact CD2-CD1 4.44Å; L1243-I1251 HydrophobicContact CD2-CG1 4.04Å; I1251-R1255 WeakPolarHBondContact O-CB 3.34Å; I1251-R1255 VanDerWaalsContact O-CD 3.31Å; I1251-R1255 WeakPolarHBondContact O-CD 3.3Å; I1251-R1255 WeakPolarHBondContact O-CG 3.49Å; I1251-R1255 PolarHBondContact O-N 3.04Å |
| 1252 | T | 55.6 | Low | 51.7 | Low | 87 Ų | 87 | 82.5 Ų | 82.5 | 53% | 0.534 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -72.4 | -47.1 | 177.6 | -27.2 | 0 | 0 | 0 | 0 | 111.4 | D1250 R1255 V1256 | D1250-T1252 PolarHBondContact O-N 3.2Å; D1250-T1252 VanDerWaalsContact O-N 3.08Å; D1250-T1252 WeakPolarHBondContact OD2-CB 3.19Å; D1250-T1252 PolarHBondContact OD2-N 2.97Å; D1250-T1252 PolarHBondContact OD2-OG1 3.06Å; T1252-R1255 CarbonylContact O-C 3.41Å; T1252-R1255 WeakPolarHBondContact O-CB 3.39Å; T1252-R1255 PolarHBondContact O-N 3.03Å; T1252-V1256 VanDerWaalsContact O-CG2 3.31Å; T1252-V1256 WeakPolarHBondContact O-CG2 3.39Å; T1252-V1256 PolarHBondContact O-N 3.26Å |
| 1253 | G | 53.3 | Low | 53.7 | Low | 12 Ų | 12 | 78.5 Ų | 78.5 | 12% | 0.124 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61 | -44.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D1250 R1255 V1256 L1257 | D1250-G1253 PolarHBondContact O-N 3.39Å; D1250-G1253 VanDerWaalsContact O-N 3.1Å; D1250-G1253 PolarHBondContact OD1-N 3.23Å; G1253-R1255 VanDerWaalsContact C-N 3.32Å; G1253-R1255 PolarHBondContact O-N 3.37Å; G1253-V1256 WeakPolarHBondContact O-CB 3.3Å; G1253-V1256 PolarHBondContact O-N 3.42Å; G1253-V1256 VanDerWaalsContact O-N 3.1Å; G1253-L1257 PolarHBondContact O-N 3.18Å |
| 1254 | W | 52.1 | Low | 55.7 | Low | 129 Ų | 129 | 77.3 Ų | 77.3 | 49% | 0.489 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.3 | -39.1 | 172.6 | -80.6 | 113.3 | 0 | 0 | 0 | 112.7 | S1247 L1249 D1250 V1256 L1257 H1258 | S1247-W1254 PolarHBondContact OG-NE1 3.16Å; L1249-W1254 HydrophobicContact CB-CD2 4.42Å; L1249-W1254 HydrophobicContact CB-CG 4.26Å; L1249-W1254 VanDerWaalsContact O-CD1 3.29Å; L1249-W1254 PolarHBondContact O-NE1 3.03Å; D1250-W1254 PolarHBondContact O-N 2.85Å; W1254-V1256 VanDerWaalsContact C-N 3.34Å; W1254-L1257 HydrophobicContact CE3-CD1 4.5Å; W1254-H1258 VanDerWaalsContact O-CB 3.23Å; W1254-H1258 WeakPolarHBondContact O-CB 3.34Å; W1254-H1258 PolarHBondContact O-N 3.06Å |
| 1255 | R | 56.2 | Low | 57.6 | Low | 172 Ų | 172 | 76.9 Ų | 76.9 | 65% | 0.649 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -66.8 | -34.9 | 173.1 | -74.5 | 168.6 | -176.4 | -176.7 | 3.5 | 112.1 | I1251 T1252 G1253 C1259 | I1251-R1255 WeakPolarHBondContact O-CB 3.34Å; I1251-R1255 VanDerWaalsContact O-CD 3.31Å; I1251-R1255 WeakPolarHBondContact O-CD 3.3Å; I1251-R1255 WeakPolarHBondContact O-CG 3.49Å; I1251-R1255 PolarHBondContact O-N 3.04Å; T1252-R1255 CarbonylContact O-C 3.41Å; T1252-R1255 WeakPolarHBondContact O-CB 3.39Å; T1252-R1255 PolarHBondContact O-N 3.03Å; G1253-R1255 VanDerWaalsContact C-N 3.32Å; G1253-R1255 PolarHBondContact O-N 3.37Å; R1255-C1259 VanDerWaalsContact O-CB 3.23Å; R1255-C1259 WeakPolarHBondContact O-CB 3.29Å; R1255-C1259 PolarHBondContact O-N 2.83Å; R1255-C1259 PolarHBondContact O-SG 2.94Å |
| 1256 | V | 57.3 | Low | 59.7 | Low | 50 Ų | 50 | 72.7 Ų | 72.7 | 30% | 0.303 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67.8 | -45.8 | 177.2 | 164.7 | 0 | 0 | 0 | 0 | 111.1 | T1252 G1253 W1254 C1259 A1260 T1357 V1361 | T1252-V1256 VanDerWaalsContact O-CG2 3.31Å; T1252-V1256 WeakPolarHBondContact O-CG2 3.39Å; T1252-V1256 PolarHBondContact O-N 3.26Å; G1253-V1256 WeakPolarHBondContact O-CB 3.3Å; G1253-V1256 PolarHBondContact O-N 3.42Å; G1253-V1256 VanDerWaalsContact O-N 3.1Å; W1254-V1256 VanDerWaalsContact C-N 3.34Å; V1256-C1259 PolarHBondContact O-N 2.86Å; V1256-A1260 PolarHBondContact O-N 3.46Å; V1256-T1357 HydrophobicContact CG1-CG2 3.89Å; V1256-T1357 WeakPolarHBondContact O-CG2 3.46Å; V1256-V1361 HydrophobicContact CG1-CG2 3.58Å |
| 1257 | L | 58.8 | Low | 61.9 | Low | 47 Ų | 47 | 67.4 Ų | 67.4 | 25% | 0.246 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.8 | -52.6 | 172.7 | -72.1 | -178.2 | 0 | 0 | 0 | 111.7 | L1249 G1253 W1254 C1259 A1260 D1261 V1361 | L1249-L1257 HydrophobicContact CD1-CD1 3.51Å; L1249-L1257 HydrophobicContact CD2-CD1 4.26Å; G1253-L1257 PolarHBondContact O-N 3.18Å; W1254-L1257 HydrophobicContact CE3-CD1 4.5Å; L1257-C1259 PolarHBondContact O-N 3.14Å; L1257-C1259 VanDerWaalsContact O-N 3.17Å; L1257-A1260 WeakPolarHBondContact O-CA 3.36Å; L1257-A1260 VanDerWaalsContact O-CB 3.29Å; L1257-A1260 WeakPolarHBondContact O-CB 3.34Å; L1257-A1260 PolarHBondContact O-N 3.27Å; L1257-D1261 PolarHBondContact O-N 3.46Å; L1257-V1361 HydrophobicContact CD2-CG1 3.8Å; L1257-V1361 HydrophobicContact CD2-CG2 3.84Å |
| 1258 | H | 60.7 | Low | 64 | Low | 123 Ų | 123 | 72.7 Ų | 72.7 | 57% | 0.569 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60.3 | -30.8 | 178.5 | -171.5 | -98.4 | 0 | 0 | 0 | 111.9 | W1254 N1262 | W1254-H1258 VanDerWaalsContact O-CB 3.23Å; W1254-H1258 WeakPolarHBondContact O-CB 3.34Å; W1254-H1258 PolarHBondContact O-N 3.06Å; H1258-N1262 PolarHBondContact CE1-ND2 2.84Å; H1258-N1262 PolarHBondContact ND1-ND2 2.82Å; H1258-N1262 PolarHBondContact NE2-ND2 3.1Å; H1258-N1262 WeakPolarHBondContact O-CB 3.47Å; H1258-N1262 PolarHBondContact O-N 2.78Å; H1258-N1262 VanDerWaalsContact O-N 3.12Å; H1258-N1262 PolarHBondContact O-ND2 3.11Å |
| 1259 | C | 59.4 | Low | 66 | Low | 67 Ų | 67 | 73 Ų | 73 | 45% | 0.453 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -68.4 | -39.5 | 169.3 | -74.8 | 0 | 0 | 0 | 0 | 112.6 | R1255 V1256 L1257 L1263 | R1255-C1259 VanDerWaalsContact O-CB 3.23Å; R1255-C1259 WeakPolarHBondContact O-CB 3.29Å; R1255-C1259 PolarHBondContact O-N 2.83Å; R1255-C1259 PolarHBondContact O-SG 2.94Å; V1256-C1259 PolarHBondContact O-N 2.86Å; L1257-C1259 PolarHBondContact O-N 3.14Å; L1257-C1259 VanDerWaalsContact O-N 3.17Å; C1259-L1263 VanDerWaalsContact O-CB 3.31Å; C1259-L1263 WeakPolarHBondContact O-CB 3.49Å; C1259-L1263 VanDerWaalsContact O-CD1 3.3Å; C1259-L1263 WeakPolarHBondContact O-CD1 3.43Å; C1259-L1263 WeakPolarHBondContact O-CG 3.25Å; C1259-L1263 PolarHBondContact O-N 3.23Å |
| 1260 | A | 64.7 | Low | 68 | Low | 7 Ų | 7 | 72.8 Ų | 72.8 | 6% | 0.058 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.6 | -48.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1256 L1257 N1262 L1263 D1264 T1357 | V1256-A1260 PolarHBondContact O-N 3.46Å; L1257-A1260 WeakPolarHBondContact O-CA 3.36Å; L1257-A1260 VanDerWaalsContact O-CB 3.29Å; L1257-A1260 WeakPolarHBondContact O-CB 3.34Å; L1257-A1260 PolarHBondContact O-N 3.27Å; A1260-N1262 PolarHBondContact O-N 3.21Å; A1260-L1263 WeakPolarHBondContact O-CB 3.46Å; A1260-L1263 PolarHBondContact O-N 2.95Å; A1260-L1263 VanDerWaalsContact O-N 3.15Å; A1260-D1264 PolarHBondContact O-N 3.4Å; A1260-T1357 HydrophobicContact CB-CG2 3.83Å |
| 1261 | D | 69 | Low | 69.8 | Low | 105 Ų | 105 | 73.8 Ų | 73.8 | 56% | 0.561 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.5 | -44.3 | 179.2 | -57.1 | -33.6 | 0 | 0 | 0 | 111.5 | L1257 L1263 D1264 L1265 | L1257-D1261 PolarHBondContact O-N 3.46Å; D1261-L1263 VanDerWaalsContact C-N 3.34Å; D1261-L1263 PolarHBondContact O-N 3.32Å; D1261-D1264 PolarHBondContact O-N 3.5Å; D1261-L1265 PolarHBondContact O-N 3.1Å |
| 1262 | N | 76.4 | Confident | 72 | Confident | 78 Ų | 78 | 75 Ų | 75 | 42% | 0.417 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -70.1 | -27.5 | 176.9 | -80.1 | -90.4 | 0 | 0 | 0 | 112.9 | H1258 A1260 L1266 | H1258-N1262 PolarHBondContact CE1-ND2 2.84Å; H1258-N1262 PolarHBondContact ND1-ND2 2.82Å; H1258-N1262 PolarHBondContact NE2-ND2 3.1Å; H1258-N1262 WeakPolarHBondContact O-CB 3.47Å; H1258-N1262 PolarHBondContact O-N 2.78Å; H1258-N1262 VanDerWaalsContact O-N 3.12Å; H1258-N1262 PolarHBondContact O-ND2 3.11Å; A1260-N1262 PolarHBondContact O-N 3.21Å; N1262-L1266 WeakPolarHBondContact O-CB 3.11Å; N1262-L1266 PolarHBondContact O-N 3.03Å |
| 1263 | L | 77.2 | Confident | 73.7 | Confident | 26 Ų | 26 | 73.2 Ų | 73.2 | 14% | 0.136 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -70.7 | -39.6 | 173.6 | -77.6 | 161.6 | 0 | 0 | 0 | 111.6 | C1259 A1260 D1261 L1266 A1267 I1350 I1353 | C1259-L1263 VanDerWaalsContact O-CB 3.31Å; C1259-L1263 WeakPolarHBondContact O-CB 3.49Å; C1259-L1263 VanDerWaalsContact O-CD1 3.3Å; C1259-L1263 WeakPolarHBondContact O-CD1 3.43Å; C1259-L1263 WeakPolarHBondContact O-CG 3.25Å; C1259-L1263 PolarHBondContact O-N 3.23Å; A1260-L1263 WeakPolarHBondContact O-CB 3.46Å; A1260-L1263 PolarHBondContact O-N 2.95Å; A1260-L1263 VanDerWaalsContact O-N 3.15Å; D1261-L1263 VanDerWaalsContact C-N 3.34Å; D1261-L1263 PolarHBondContact O-N 3.32Å; L1263-L1266 PolarHBondContact O-N 2.87Å; L1263-A1267 WeakPolarHBondContact O-CB 3.4Å; L1263-A1267 PolarHBondContact O-N 3.18Å; L1263-I1350 HydrophobicContact CB-CG2 4.32Å; L1263-I1350 HydrophobicContact CD2-CG2 4.01Å; L1263-I1350 WeakPolarHBondContact O-CG2 3.48Å; L1263-I1353 HydrophobicContact CD1-CB 4.28Å; L1263-I1353 HydrophobicContact CD1-CG2 3.56Å; L1263-I1353 HydrophobicContact CD2-CB 4.25Å; L1263-I1353 HydrophobicContact CD2-CG2 4.06Å; L1263-I1353 HydrophobicContact CG-CG2 4.5Å |
| 1264 | D | 77.6 | Confident | 75.6 | Confident | 70 Ų | 70 | 73 Ų | 73 | 37% | 0.374 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -69.6 | -39.8 | 176.4 | -76.1 | 6.1 | 0 | 0 | 0 | 111.5 | A1260 D1261 A1267 Y1268 S1354 K1358 | A1260-D1264 PolarHBondContact O-N 3.4Å; D1261-D1264 PolarHBondContact O-N 3.5Å; D1264-A1267 WeakPolarHBondContact O-CB 3.22Å; D1264-A1267 PolarHBondContact O-N 3.4Å; D1264-Y1268 PolarHBondContact O-N 2.92Å; D1264-S1354 PolarHBondContact OD1-OG 2.89Å; D1264-K1358 IonicContact OD1-NZ 2.69Å; D1264-K1358 PolarHBondContact OD1-NZ 2.92Å; D1264-K1358 IonicContact OD2-NZ 2.7Å; D1264-K1358 PolarHBondContact OD2-NZ 3.17Å |
| 1265 | L | 80.4 | Confident | 77.5 | Confident | 75 Ų | 75 | 72.3 Ų | 72.3 | 39% | 0.393 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 171.4 | -179.2 | 60.1 | 0 | 0 | 0 | 112.3 | D1261 A1267 Y1268 T1269 | D1261-L1265 PolarHBondContact O-N 3.1Å; L1265-A1267 VanDerWaalsContact C-N 3.33Å; L1265-Y1268 PolarHBondContact O-N 3.43Å; L1265-T1269 WeakPolarHBondContact O-CG2 3.45Å; L1265-T1269 PolarHBondContact O-N 2.97Å; L1265-T1269 PolarHBondContact O-OG1 3.11Å; L1265-T1269 VanDerWaalsContact O-OG1 3.12Å |
| 1266 | L | 82.6 | Confident | 79.2 | Confident | 79 Ų | 79 | 67.7 Ų | 67.7 | 41% | 0.414 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.7 | -38 | 173.8 | -174.7 | 66.9 | 0 | 0 | 0 | 111.3 | N1262 L1263 T1269 E1270 I1350 | N1262-L1266 WeakPolarHBondContact O-CB 3.11Å; N1262-L1266 PolarHBondContact O-N 3.03Å; L1263-L1266 PolarHBondContact O-N 2.87Å; L1266-T1269 PolarHBondContact O-OG1 3.12Å; L1266-T1269 VanDerWaalsContact O-OG1 3.11Å; L1266-E1270 HydrophobicContact CD1-CG 4.45Å; L1266-E1270 VanDerWaalsContact O-CB 3.31Å; L1266-E1270 WeakPolarHBondContact O-CB 3.4Å; L1266-E1270 WeakPolarHBondContact O-CG 3.46Å; L1266-E1270 PolarHBondContact O-N 3.03Å; L1266-I1350 HydrophobicContact CD2-CD1 3.88Å; L1266-I1350 HydrophobicContact CD2-CG1 4.04Å; L1266-I1350 HydrophobicContact CG-CD1 3.81Å; L1266-I1350 HydrophobicContact CG-CG1 4.44Å |
| 1267 | A | 86.1 | Confident | 80.9 | Confident | 17 Ų | 17 | 66.3 Ų | 66.3 | 14% | 0.14 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | L1263 D1264 L1265 L1271 L1347 I1350 | L1263-A1267 WeakPolarHBondContact O-CB 3.4Å; L1263-A1267 PolarHBondContact O-N 3.18Å; D1264-A1267 WeakPolarHBondContact O-CB 3.22Å; D1264-A1267 PolarHBondContact O-N 3.4Å; L1265-A1267 VanDerWaalsContact C-N 3.33Å; A1267-L1271 VanDerWaalsContact O-CB 3.24Å; A1267-L1271 WeakPolarHBondContact O-CB 3.17Å; A1267-L1271 PolarHBondContact O-N 2.95Å; A1267-L1347 HydrophobicContact CB-CD2 4.41Å; A1267-L1347 VanDerWaalsContact O-CD2 3.23Å; A1267-L1347 WeakPolarHBondContact O-CD2 3.28Å; A1267-I1350 HydrophobicContact CB-CG2 3.86Å |
| 1268 | Y | 85.8 | Confident | 82.5 | Confident | 150 Ų | 150 | 68.6 Ų | 68.6 | 59% | 0.588 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.5 | -48.6 | 176.2 | -179.9 | -96.6 | 0 | 0 | 0 | 112.2 | D1264 L1265 L1271 Q1272 | D1264-Y1268 PolarHBondContact O-N 2.92Å; L1265-Y1268 PolarHBondContact O-N 3.43Å; Y1268-L1271 WeakPolarHBondContact O-CB 3.43Å; Y1268-L1271 PolarHBondContact O-N 3.21Å; Y1268-Q1272 PolarHBondContact O-N 3.23Å |
| 1269 | T | 86.7 | Confident | 84.1 | Confident | 50 Ų | 50 | 66.8 Ų | 66.8 | 31% | 0.307 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.5 | -36.6 | 179.7 | 54.1 | 0 | 0 | 0 | 0 | 113.2 | L1265 L1266 L1271 T1273 | L1265-T1269 WeakPolarHBondContact O-CG2 3.45Å; L1265-T1269 PolarHBondContact O-N 2.97Å; L1265-T1269 PolarHBondContact O-OG1 3.11Å; L1265-T1269 VanDerWaalsContact O-OG1 3.12Å; L1266-T1269 PolarHBondContact O-OG1 3.12Å; L1266-T1269 VanDerWaalsContact O-OG1 3.11Å; T1269-L1271 VanDerWaalsContact C-N 3.34Å; T1269-T1273 WeakPolarHBondContact O-CG2 3.46Å; T1269-T1273 PolarHBondContact O-N 2.83Å; T1269-T1273 VanDerWaalsContact O-N 3.12Å; T1269-T1273 PolarHBondContact O-OG1 3.12Å |
| 1270 | E | 88.8 | Confident | 85.7 | Confident | 34 Ų | 34 | 67.5 Ų | 67.5 | 16% | 0.159 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69.6 | -29.1 | 172.3 | -78.7 | -66.4 | 129.3 | 0 | 0 | 112.8 | L1266 T1273 L1274 K1343 L1346 L1347 I1350 | L1266-E1270 HydrophobicContact CD1-CG 4.45Å; L1266-E1270 VanDerWaalsContact O-CB 3.31Å; L1266-E1270 WeakPolarHBondContact O-CB 3.4Å; L1266-E1270 WeakPolarHBondContact O-CG 3.46Å; L1266-E1270 PolarHBondContact O-N 3.03Å; E1270-T1273 WeakPolarHBondContact CA-OG1 3.47Å; E1270-T1273 PolarHBondContact O-OG1 2.95Å; E1270-L1274 VanDerWaalsContact O-CB 3.32Å; E1270-L1274 WeakPolarHBondContact O-CB 3.4Å; E1270-L1274 PolarHBondContact O-N 2.96Å; E1270-K1343 IonicContact OE1-NZ 2.73Å; E1270-K1343 PolarHBondContact OE1-NZ 3.32Å; E1270-K1343 WeakPolarHBondContact OE2-CG 3.35Å; E1270-K1343 IonicContact OE2-NZ 2.67Å; E1270-K1343 PolarHBondContact OE2-NZ 2.95Å; E1270-L1346 HydrophobicContact CG-CD2 4.18Å; E1270-L1346 WeakPolarHBondContact OE2-CD2 3.47Å; E1270-L1347 HydrophobicContact CB-CD2 3.55Å; E1270-L1347 HydrophobicContact CB-CG 4Å; E1270-I1350 HydrophobicContact CB-CD1 4.33Å; E1270-I1350 HydrophobicContact CG-CD1 4.01Å |
| 1271 | L | 91.8 | Very high | 87 | Confident | 94 Ų | 94 | 69.7 Ų | 69.7 | 49% | 0.492 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -72.3 | -48.4 | 174.7 | -179.5 | 63.6 | 0 | 0 | 0 | 111.6 | A1267 Y1268 T1269 T1273 L1274 E1275 L1347 | A1267-L1271 VanDerWaalsContact O-CB 3.24Å; A1267-L1271 WeakPolarHBondContact O-CB 3.17Å; A1267-L1271 PolarHBondContact O-N 2.95Å; Y1268-L1271 WeakPolarHBondContact O-CB 3.43Å; Y1268-L1271 PolarHBondContact O-N 3.21Å; T1269-L1271 VanDerWaalsContact C-N 3.34Å; L1271-T1273 VanDerWaalsContact C-N 3.31Å; L1271-T1273 PolarHBondContact O-N 3.34Å; L1271-L1274 WeakPolarHBondContact O-CB 3.48Å; L1271-L1274 PolarHBondContact O-N 3.34Å; L1271-L1274 VanDerWaalsContact O-N 3.15Å; L1271-E1275 PolarHBondContact O-N 3.5Å; L1271-L1347 HydrophobicContact CB-CD1 4.45Å; L1271-L1347 HydrophobicContact CB-CD2 4.31Å; L1271-L1347 HydrophobicContact CD1-CD1 4.32Å |
| 1272 | Q | 91.1 | Very high | 88.2 | Confident | 102 Ų | 102 | 68.1 Ų | 68.1 | 48% | 0.477 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -57.5 | -45 | 176.4 | -173.6 | -175 | 21.5 | 0 | 0 | 111.2 | Y1268 E1275 T1276 | Y1268-Q1272 PolarHBondContact O-N 3.23Å; Q1272-E1275 WeakPolarHBondContact O-CB 3.45Å; Q1272-E1275 PolarHBondContact O-N 2.88Å; Q1272-T1276 PolarHBondContact O-N 2.97Å; Q1272-T1276 PolarHBondContact O-OG1 3.01Å; Q1272-T1276 VanDerWaalsContact O-OG1 3.06Å |
| 1273 | T | 90.9 | Very high | 88.9 | Confident | 51 Ų | 51 | 68.5 Ų | 68.5 | 31% | 0.313 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -72.3 | -27.4 | 178.4 | 50.7 | 0 | 0 | 0 | 0 | 113.2 | T1269 E1270 L1271 I1277 K1343 | T1269-T1273 WeakPolarHBondContact O-CG2 3.46Å; T1269-T1273 PolarHBondContact O-N 2.83Å; T1269-T1273 VanDerWaalsContact O-N 3.12Å; T1269-T1273 PolarHBondContact O-OG1 3.12Å; E1270-T1273 WeakPolarHBondContact CA-OG1 3.47Å; E1270-T1273 PolarHBondContact O-OG1 2.95Å; L1271-T1273 VanDerWaalsContact C-N 3.31Å; L1271-T1273 PolarHBondContact O-N 3.34Å; T1273-I1277 WeakPolarHBondContact O-CB 3.47Å; T1273-I1277 WeakPolarHBondContact O-CD1 3.5Å; T1273-I1277 WeakPolarHBondContact O-CG1 3.29Å; T1273-I1277 PolarHBondContact O-N 3.12Å; T1273-I1277 VanDerWaalsContact O-N 3.16Å; T1273-K1343 PolarHBondContact OG1-NZ 2.79Å |
| 1274 | L | 93.6 | Very high | 89.6 | Confident | 8 Ų | 8 | 68.9 Ų | 68.9 | 4% | 0.042 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.1 | -37.6 | 168.1 | 173.7 | 62.5 | 0 | 0 | 0 | 111.6 | E1270 L1271 I1277 K1278 S1340 K1343 K1344 L1347 | E1270-L1274 VanDerWaalsContact O-CB 3.32Å; E1270-L1274 WeakPolarHBondContact O-CB 3.4Å; E1270-L1274 PolarHBondContact O-N 2.96Å; L1271-L1274 WeakPolarHBondContact O-CB 3.48Å; L1271-L1274 PolarHBondContact O-N 3.34Å; L1271-L1274 VanDerWaalsContact O-N 3.15Å; L1274-I1277 PolarHBondContact O-N 2.77Å; L1274-K1278 WeakPolarHBondContact O-CG 3.31Å; L1274-K1278 PolarHBondContact O-N 3.46Å; L1274-S1340 WeakPolarHBondContact CD1-O 3.39Å; L1274-K1343 HydrophobicContact CB-CB 4.3Å; L1274-K1343 HydrophobicContact CB-CD 4.33Å; L1274-K1343 HydrophobicContact CD1-CB 4.07Å; L1274-K1344 HydrophobicContact CD1-CG 4.17Å; L1274-K1344 HydrophobicContact CD2-CG 3.67Å; L1274-L1347 HydrophobicContact CB-CD1 4.36Å; L1274-L1347 HydrophobicContact CD2-CD1 3.66Å |
| 1275 | E | 92.5 | Very high | 90.2 | Very high | 113 Ų | 113 | 67.6 Ų | 67.6 | 53% | 0.528 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.8 | -47.5 | 174.7 | -174.2 | 167.8 | -145 | 0 | 0 | 111.6 | L1271 Q1272 I1277 K1278 N1279 | L1271-E1275 PolarHBondContact O-N 3.5Å; Q1272-E1275 WeakPolarHBondContact O-CB 3.45Å; Q1272-E1275 PolarHBondContact O-N 2.88Å; E1275-I1277 PolarHBondContact O-N 3.28Å; E1275-K1278 WeakPolarHBondContact O-CB 3.39Å; E1275-K1278 PolarHBondContact O-N 3.12Å; E1275-N1279 PolarHBondContact O-N 2.67Å; E1275-N1279 PolarHBondContact O-OD1 3.34Å |
| 1276 | T | 92.6 | Very high | 90.7 | Very high | 75 Ų | 75 | 68.8 Ų | 68.8 | 46% | 0.46 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -53.7 | -39 | 172.5 | -42.6 | 0 | 0 | 0 | 0 | 112.3 | Q1272 N1279 M1280 | Q1272-T1276 PolarHBondContact O-N 2.97Å; Q1272-T1276 PolarHBondContact O-OG1 3.01Å; Q1272-T1276 VanDerWaalsContact O-OG1 3.06Å; T1276-N1279 PolarHBondContact O-N 3.01Å; T1276-M1280 WeakPolarHBondContact O-CG 3.34Å; T1276-M1280 PolarHBondContact O-N 3.15Å; T1276-M1280 VanDerWaalsContact O-N 3.09Å |
| 1277 | I | 92.9 | Very high | 90.9 | Very high | 21 Ų | 21 | 69.5 Ų | 69.5 | 11% | 0.108 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -73.4 | -30.5 | 179.9 | -76 | 162.7 | 0 | 0 | 0 | 112.6 | T1273 L1274 E1275 M1280 E1281 I1336 I1339 K1343 | T1273-I1277 WeakPolarHBondContact O-CB 3.47Å; T1273-I1277 WeakPolarHBondContact O-CD1 3.5Å; T1273-I1277 WeakPolarHBondContact O-CG1 3.29Å; T1273-I1277 PolarHBondContact O-N 3.12Å; T1273-I1277 VanDerWaalsContact O-N 3.16Å; L1274-I1277 PolarHBondContact O-N 2.77Å; E1275-I1277 PolarHBondContact O-N 3.28Å; I1277-M1280 HydrophobicContact CB-CE 4.31Å; I1277-M1280 HydrophobicContact CG1-CE 3.6Å; I1277-E1281 PolarHBondContact O-N 3.48Å; I1277-E1281 VanDerWaalsContact O-N 3.16Å; I1277-I1336 HydrophobicContact CG2-CG2 4.02Å; I1277-I1336 VanDerWaalsContact O-CG2 3.29Å; I1277-I1336 WeakPolarHBondContact O-CG2 3.31Å; I1277-I1339 HydrophobicContact CD1-CG2 3.8Å; I1277-K1343 HydrophobicContact CD1-CD 3.69Å |
| 1278 | K | 92.5 | Very high | 91.1 | Very high | 95 Ų | 95 | 69.9 Ų | 69.9 | 41% | 0.413 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.9 | -40.2 | 169.3 | -68.5 | 171.9 | -174.1 | 171.1 | 0 | 111.7 | L1274 E1275 M1280 E1281 T1282 | L1274-K1278 WeakPolarHBondContact O-CG 3.31Å; L1274-K1278 PolarHBondContact O-N 3.46Å; E1275-K1278 WeakPolarHBondContact O-CB 3.39Å; E1275-K1278 PolarHBondContact O-N 3.12Å; K1278-M1280 VanDerWaalsContact C-N 3.33Å; K1278-M1280 PolarHBondContact O-N 2.65Å; K1278-E1281 WeakPolarHBondContact O-CA 3.46Å; K1278-E1281 WeakPolarHBondContact O-CB 3.44Å; K1278-E1281 PolarHBondContact O-N 3.05Å; K1278-T1282 PolarHBondContact O-N 2.86Å |
| 1279 | N | 93.7 | Very high | 91.1 | Very high | 85 Ų | 85 | 68.4 Ų | 68.4 | 46% | 0.455 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.3 | -40.6 | -179.9 | -62 | 4.3 | 0 | 0 | 0 | 110.3 | E1275 T1276 E1281 T1282 D1283 | E1275-N1279 PolarHBondContact O-N 2.67Å; E1275-N1279 PolarHBondContact O-OD1 3.34Å; T1276-N1279 PolarHBondContact O-N 3.01Å; N1279-E1281 PolarHBondContact O-N 3.06Å; N1279-T1282 WeakPolarHBondContact CA-OG1 3.47Å; N1279-T1282 PolarHBondContact O-N 2.9Å; N1279-T1282 PolarHBondContact O-OG1 3.24Å; N1279-D1283 WeakPolarHBondContact O-CB 3.31Å; N1279-D1283 PolarHBondContact O-N 3.09Å |
| 1280 | M | 92.7 | Very high | 91 | Very high | 83 Ų | 83 | 69 Ų | 69 | 41% | 0.409 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.7 | -24.6 | 169.4 | -65.4 | -175.3 | -66.1 | 0 | 0 | 113.6 | T1276 I1277 K1278 L1284 I1336 | T1276-M1280 WeakPolarHBondContact O-CG 3.34Å; T1276-M1280 PolarHBondContact O-N 3.15Å; T1276-M1280 VanDerWaalsContact O-N 3.09Å; I1277-M1280 HydrophobicContact CB-CE 4.31Å; I1277-M1280 HydrophobicContact CG1-CE 3.6Å; K1278-M1280 VanDerWaalsContact C-N 3.33Å; K1278-M1280 PolarHBondContact O-N 2.65Å; M1280-L1284 WeakPolarHBondContact O-CG 3.5Å; M1280-L1284 PolarHBondContact O-N 3.4Å; M1280-I1336 HydrophobicContact CB-CD1 3.84Å |
| 1281 | E | 92.9 | Very high | 90.6 | Very high | 52 Ų | 52 | 69.2 Ų | 69.2 | 24% | 0.243 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -69.3 | -42.7 | 172.3 | -155.3 | -179.3 | 147 | 0 | 0 | 110.9 | I1277 K1278 N1279 A1285 I1336 K1337 | I1277-E1281 PolarHBondContact O-N 3.48Å; I1277-E1281 VanDerWaalsContact O-N 3.16Å; K1278-E1281 WeakPolarHBondContact O-CA 3.46Å; K1278-E1281 WeakPolarHBondContact O-CB 3.44Å; K1278-E1281 PolarHBondContact O-N 3.05Å; N1279-E1281 PolarHBondContact O-N 3.06Å; E1281-A1285 WeakPolarHBondContact O-CB 3.32Å; E1281-A1285 PolarHBondContact O-N 3.42Å; E1281-A1285 VanDerWaalsContact O-N 3.17Å; E1281-I1336 HydrophobicContact CB-CG2 3.62Å; E1281-I1336 HydrophobicContact CG-CG2 3.84Å; E1281-K1337 HydrophobicContact CG-CG 4.3Å; E1281-K1337 VanDerWaalsContact OE1-CE 3.22Å; E1281-K1337 WeakPolarHBondContact OE1-CE 3.42Å; E1281-K1337 WeakPolarHBondContact OE1-CG 3.44Å |
| 1282 | T | 92.7 | Very high | 89.8 | Confident | 73 Ų | 73 | 67.6 Ų | 67.6 | 45% | 0.448 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -70.2 | -45 | 175.4 | 48.8 | 0 | 0 | 0 | 0 | 112 | K1278 N1279 L1284 A1285 D1286 | K1278-T1282 PolarHBondContact O-N 2.86Å; N1279-T1282 WeakPolarHBondContact CA-OG1 3.47Å; N1279-T1282 PolarHBondContact O-N 2.9Å; N1279-T1282 PolarHBondContact O-OG1 3.24Å; T1282-L1284 VanDerWaalsContact C-N 3.29Å; T1282-L1284 PolarHBondContact O-N 3.26Å; T1282-A1285 PolarHBondContact O-N 3.16Å; T1282-D1286 PolarHBondContact O-N 3.15Å |
| 1283 | D | 91.8 | Very high | 89.1 | Confident | 85 Ų | 85 | 65.7 Ų | 65.7 | 46% | 0.455 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.9 | -36.9 | -177.6 | -62.7 | -14.9 | 0 | 0 | 0 | 112.1 | N1279 Q1287 | N1279-D1283 WeakPolarHBondContact O-CB 3.31Å; N1279-D1283 PolarHBondContact O-N 3.09Å; D1283-Q1287 WeakPolarHBondContact O-CB 3.27Å; D1283-Q1287 VanDerWaalsContact O-CG 3.24Å; D1283-Q1287 WeakPolarHBondContact O-CG 3.44Å; D1283-Q1287 PolarHBondContact O-N 3.36Å; D1283-Q1287 VanDerWaalsContact O-N 3.15Å; D1283-Q1287 PolarHBondContact O-NE2 3.12Å |
| 1284 | L | 91.8 | Very high | 87.8 | Confident | 35 Ų | 35 | 69 Ų | 69 | 18% | 0.183 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -77.4 | -32.4 | 174.2 | -66.9 | -170.8 | 0 | 0 | 0 | 113 | M1280 T1282 L1288 F1329 A1332 I1333 I1336 | M1280-L1284 WeakPolarHBondContact O-CG 3.5Å; M1280-L1284 PolarHBondContact O-N 3.4Å; T1282-L1284 VanDerWaalsContact C-N 3.29Å; T1282-L1284 PolarHBondContact O-N 3.26Å; L1284-L1288 VanDerWaalsContact O-CB 3.32Å; L1284-L1288 WeakPolarHBondContact O-CB 3.18Å; L1284-L1288 PolarHBondContact O-N 3.33Å; L1284-F1329 HydrophobicContact CB-CD1 4.36Å; L1284-F1329 HydrophobicContact CD2-CD1 4.03Å; L1284-F1329 HydrophobicContact CD2-CE1 3.78Å; L1284-A1332 HydrophobicContact CD1-CB 3.71Å; L1284-I1333 HydrophobicContact CB-CD1 4.26Å; L1284-I1333 HydrophobicContact CB-CG1 3.81Å; L1284-I1333 HydrophobicContact CD1-CG1 4.48Å; L1284-I1336 HydrophobicContact CD1-CD1 3.6Å; L1284-I1336 HydrophobicContact CG-CD1 4.39Å |
| 1285 | A | 90.4 | Very high | 86 | Confident | 42 Ų | 42 | 70.9 Ų | 70.9 | 35% | 0.347 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67.7 | -41.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E1281 T1282 L1288 H1289 I1333 | E1281-A1285 WeakPolarHBondContact O-CB 3.32Å; E1281-A1285 PolarHBondContact O-N 3.42Å; E1281-A1285 VanDerWaalsContact O-N 3.17Å; T1282-A1285 PolarHBondContact O-N 3.16Å; A1285-L1288 PolarHBondContact O-N 3.45Å; A1285-H1289 WeakPolarHBondContact O-CB 3.24Å; A1285-H1289 PolarHBondContact O-N 3.35Å; A1285-I1333 HydrophobicContact CB-CD1 4.44Å |
| 1286 | D | 90.3 | Very high | 84 | Confident | 101 Ų | 101 | 70.1 Ų | 70.1 | 54% | 0.54 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.1 | -42.3 | 175.6 | -71.7 | -13 | 0 | 0 | 0 | 110.9 | T1282 L1288 H1289 C1290 | T1282-D1286 PolarHBondContact O-N 3.15Å; D1286-L1288 PolarHBondContact O-N 2.88Å; D1286-H1289 CarbonylContact O-C 3.4Å; D1286-H1289 WeakPolarHBondContact O-CB 3.49Å; D1286-H1289 PolarHBondContact O-N 2.86Å; D1286-H1289 VanDerWaalsContact O-N 3.16Å; D1286-C1290 PolarHBondContact O-N 3.33Å; D1286-C1290 PolarHBondContact O-SG 2.76Å; D1286-C1290 VanDerWaalsContact O-SG 3.34Å |
| 1287 | Q | 88 | Confident | 82.1 | Confident | 93 Ų | 93 | 71.3 Ų | 71.3 | 44% | 0.435 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 172 | -77.9 | 169.2 | 61.4 | 0 | 0 | 112.5 | D1283 H1289 C1290 I1291 F1329 | D1283-Q1287 WeakPolarHBondContact O-CB 3.27Å; D1283-Q1287 VanDerWaalsContact O-CG 3.24Å; D1283-Q1287 WeakPolarHBondContact O-CG 3.44Å; D1283-Q1287 PolarHBondContact O-N 3.36Å; D1283-Q1287 VanDerWaalsContact O-N 3.15Å; D1283-Q1287 PolarHBondContact O-NE2 3.12Å; Q1287-H1289 VanDerWaalsContact C-N 3.3Å; Q1287-H1289 PolarHBondContact O-N 3.04Å; Q1287-C1290 PolarHBondContact O-N 3.43Å; Q1287-I1291 WeakPolarHBondContact O-CG1 3.34Å; Q1287-I1291 PolarHBondContact O-N 2.86Å; Q1287-F1329 HydrophobicContact CB-CD1 4.48Å; Q1287-F1329 HydrophobicContact CB-CE1 3.76Å; Q1287-F1329 HydrophobicContact CB-CZ 4.19Å |
| 1288 | L | 88.5 | Confident | 79.9 | Confident | 25 Ų | 25 | 73.9 Ų | 73.9 | 13% | 0.131 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63.2 | -36.5 | 174.9 | 178.3 | 61 | 0 | 0 | 0 | 111.8 | L1284 A1285 D1286 S1292 A1326 F1329 I1333 | L1284-L1288 VanDerWaalsContact O-CB 3.32Å; L1284-L1288 WeakPolarHBondContact O-CB 3.18Å; L1284-L1288 PolarHBondContact O-N 3.33Å; A1285-L1288 PolarHBondContact O-N 3.45Å; D1286-L1288 PolarHBondContact O-N 2.88Å; L1288-S1292 WeakPolarHBondContact O-CB 3.44Å; L1288-S1292 PolarHBondContact O-N 3.24Å; L1288-S1292 PolarHBondContact O-OG 3.17Å; L1288-A1326 HydrophobicContact CD1-CB 3.96Å; L1288-F1329 HydrophobicContact CB-CB 4.33Å; L1288-F1329 HydrophobicContact CD1-CB 4.07Å; L1288-I1333 HydrophobicContact CD2-CD1 3.85Å |
| 1289 | H | 87.7 | Confident | 77.8 | Confident | 120 Ų | 120 | 73.6 Ų | 73.6 | 56% | 0.556 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -69.1 | -39.6 | 174 | -171.4 | 65.3 | 0 | 0 | 0 | 112.3 | A1285 D1286 Q1287 S1292 T1293 | A1285-H1289 WeakPolarHBondContact O-CB 3.24Å; A1285-H1289 PolarHBondContact O-N 3.35Å; D1286-H1289 CarbonylContact O-C 3.4Å; D1286-H1289 WeakPolarHBondContact O-CB 3.49Å; D1286-H1289 PolarHBondContact O-N 2.86Å; D1286-H1289 VanDerWaalsContact O-N 3.16Å; Q1287-H1289 VanDerWaalsContact C-N 3.3Å; Q1287-H1289 PolarHBondContact O-N 3.04Å; H1289-S1292 PolarHBondContact O-N 2.87Å; H1289-T1293 WeakPolarHBondContact O-CB 3.36Å; H1289-T1293 WeakPolarHBondContact O-CG2 3.45Å; H1289-T1293 PolarHBondContact O-N 2.81Å; H1289-T1293 PolarHBondContact O-OG1 2.97Å |
| 1290 | C | 84.3 | Confident | 75.7 | Confident | 61 Ų | 61 | 77.4 Ų | 77.4 | 41% | 0.412 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 173.2 | -72.6 | 0 | 0 | 0 | 0 | 112.5 | D1286 Q1287 T1293 Q1294 | D1286-C1290 PolarHBondContact O-N 3.33Å; D1286-C1290 PolarHBondContact O-SG 2.76Å; D1286-C1290 VanDerWaalsContact O-SG 3.34Å; Q1287-C1290 PolarHBondContact O-N 3.43Å; C1290-T1293 WeakPolarHBondContact CA-OG1 3.49Å; C1290-T1293 PolarHBondContact O-N 3.11Å; C1290-T1293 PolarHBondContact O-OG1 3.03Å; C1290-Q1294 WeakPolarHBondContact O-CB 3.12Å; C1290-Q1294 VanDerWaalsContact O-CG 3.24Å; C1290-Q1294 WeakPolarHBondContact O-CG 3.31Å; C1290-Q1294 PolarHBondContact O-N 3.39Å; C1290-Q1294 PolarHBondContact O-NE2 3.32Å |
| 1291 | I | 79.2 | Confident | 73.3 | Confident | 39 Ų | 39 | 80.1 Ų | 80.1 | 20% | 0.2 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -63.7 | -47.2 | 174.2 | -67.5 | 162.2 | 0 | 0 | 0 | 109.9 | Q1287 T1293 Q1294 S1295 F1329 | Q1287-I1291 WeakPolarHBondContact O-CG1 3.34Å; Q1287-I1291 PolarHBondContact O-N 2.86Å; I1291-T1293 VanDerWaalsContact C-N 3.3Å; I1291-T1293 PolarHBondContact O-N 3.15Å; I1291-Q1294 PolarHBondContact O-N 3.48Å; I1291-S1295 PolarHBondContact O-N 2.96Å; I1291-F1329 HydrophobicContact CD1-CD2 3.78Å; I1291-F1329 HydrophobicContact CD1-CE2 3.36Å; I1291-F1329 HydrophobicContact CD1-CZ 4Å |
| 1292 | S | 76.2 | Confident | 70.7 | Confident | 61 Ų | 61 | 82.7 Ų | 82.7 | 43% | 0.427 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.8 | -40.5 | 179.5 | -58.4 | 0 | 0 | 0 | 0 | 112.3 | L1288 H1289 S1295 | L1288-S1292 WeakPolarHBondContact O-CB 3.44Å; L1288-S1292 PolarHBondContact O-N 3.24Å; L1288-S1292 PolarHBondContact O-OG 3.17Å; H1289-S1292 PolarHBondContact O-N 2.87Å; S1292-S1295 PolarHBondContact O-OG 3.37Å |
| 1293 | T | 75.7 | Confident | 68.4 | Low | 61 Ų | 61 | 85.3 Ų | 85.3 | 37% | 0.374 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -79.7 | -32 | -179 | 47.7 | 0 | 0 | 0 | 0 | 113.7 | H1289 C1290 I1291 S1295 V1296 | H1289-T1293 WeakPolarHBondContact O-CB 3.36Å; H1289-T1293 WeakPolarHBondContact O-CG2 3.45Å; H1289-T1293 PolarHBondContact O-N 2.81Å; H1289-T1293 PolarHBondContact O-OG1 2.97Å; C1290-T1293 WeakPolarHBondContact CA-OG1 3.49Å; C1290-T1293 PolarHBondContact O-N 3.11Å; C1290-T1293 PolarHBondContact O-OG1 3.03Å; I1291-T1293 VanDerWaalsContact C-N 3.3Å; I1291-T1293 PolarHBondContact O-N 3.15Å; T1293-S1295 VanDerWaalsContact C-N 3.31Å; T1293-S1295 PolarHBondContact O-N 2.97Å; T1293-V1296 PolarHBondContact O-N 3.13Å |
| 1294 | Q | 64.2 | Low | 65.9 | Low | 122 Ų | 122 | 86.2 Ų | 86.2 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.2 | -29.9 | 174.8 | -75.3 | 172.9 | 52.9 | 0 | 0 | 113 | C1290 I1291 V1296 T1297 S1298 | C1290-Q1294 WeakPolarHBondContact O-CB 3.12Å; C1290-Q1294 VanDerWaalsContact O-CG 3.24Å; C1290-Q1294 WeakPolarHBondContact O-CG 3.31Å; C1290-Q1294 PolarHBondContact O-N 3.39Å; C1290-Q1294 PolarHBondContact O-NE2 3.32Å; I1291-Q1294 PolarHBondContact O-N 3.48Å; Q1294-V1296 PolarHBondContact O-N 3.46Å; Q1294-T1297 PolarHBondContact O-N 2.96Å; Q1294-T1297 PolarHBondContact O-OG1 3.1Å; Q1294-S1298 PolarHBondContact O-N 3.37Å; Q1294-S1298 PolarHBondContact O-OG 3.13Å |
| 1295 | S | 55.4 | Low | 63.6 | Low | 46 Ų | 46 | 93.9 Ų | 93.9 | 32% | 0.322 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.8 | -22.2 | 173.4 | 74.2 | 0 | 0 | 0 | 0 | 113.8 | I1291 S1292 T1293 S1298 | I1291-S1295 PolarHBondContact O-N 2.96Å; S1292-S1295 PolarHBondContact O-OG 3.37Å; T1293-S1295 VanDerWaalsContact C-N 3.31Å; T1293-S1295 PolarHBondContact O-N 2.97Å; S1295-S1298 PolarHBondContact O-OG 3.07Å |
| 1296 | V | 51.5 | Low | 61.2 | Low | 97 Ų | 97 | 95.8 Ų | 95.8 | 59% | 0.588 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -83.6 | -39.4 | -179.9 | -174.4 | 0 | 0 | 0 | 0 | 111.4 | T1293 Q1294 S1299 | T1293-V1296 PolarHBondContact O-N 3.13Å; Q1294-V1296 PolarHBondContact O-N 3.46Å; V1296-S1299 PolarHBondContact O-OG 3.29Å |
| 1297 | T | 51.9 | Low | 59 | Low | 101 Ų | 101 | 96.8 Ų | 96.8 | 62% | 0.62 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -79 | -28.2 | -174.2 | 55.3 | 0 | 0 | 0 | 0 | 113.7 | Q1294 S1299 | Q1294-T1297 PolarHBondContact O-N 2.96Å; Q1294-T1297 PolarHBondContact O-OG1 3.1Å; T1297-S1299 VanDerWaalsContact C-N 3.25Å; T1297-S1299 PolarHBondContact O-N 2.81Å |
| 1298 | S | 47.4 | Very low | 56.7 | Low | 75 Ų | 75 | 96.9 Ų | 96.9 | 52% | 0.524 | 58% | 0.583 | S | S | . | * | G | 310 helix | trans | -64.7 | -28.3 | 175.8 | 59.2 | 0 | 0 | 0 | 0 | 113.1 | Q1294 S1295 H1300 | Q1294-S1298 PolarHBondContact O-N 3.37Å; Q1294-S1298 PolarHBondContact O-OG 3.13Å; S1295-S1298 PolarHBondContact O-OG 3.07Å; S1298-H1300 VanDerWaalsContact C-N 3.32Å; S1298-H1300 PolarHBondContact O-N 3.12Å |
| 1299 | S | 48.4 | Very low | 54.8 | Low | 89 Ų | 89 | 103.3 Ų | 103.3 | 62% | 0.622 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -78.2 | -7.1 | -176.2 | 70.4 | 0 | 0 | 0 | 0 | 115.5 | V1296 T1297 | V1296-S1299 PolarHBondContact O-OG 3.29Å; T1297-S1299 VanDerWaalsContact C-N 3.25Å; T1297-S1299 PolarHBondContact O-N 2.81Å |
| 1300 | H | 48 | Very low | 53 | Low | 165 Ų | 165 | 103.1 Ų | 103.1 | 76% | 0.764 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -104.7 | 2.1 | -178.6 | -150.5 | -71.3 | 0 | 0 | 0 | 114.4 | S1298 S1302 | S1298-H1300 VanDerWaalsContact C-N 3.32Å; S1298-H1300 PolarHBondContact O-N 3.12Å; H1300-S1302 PolarHBondContact O-N 3.19Å |
| 1301 | L | 42.8 | Very low | 51.5 | Low | 139 Ų | 139 | 104.4 Ų | 104.4 | 73% | 0.728 | 63% | 0.625 | S | S | * | * | | | trans | -83.2 | 54.4 | 175.2 | -94.2 | 162.9 | 0 | 0 | 0 | 112.4 | V1303 | L1301-V1303 HydrophobicContact CD2-CG2 4.23Å; L1301-V1303 PolarHBondContact O-N 3.16Å |
| 1302 | S | 39.2 | Very low | 50.1 | Low | 107 Ų | 107 | 110.2 Ų | 110.2 | 75% | 0.748 | 65% | 0.649 | S | S | * | * | | | trans | -73.3 | 55.6 | 179 | -61.9 | 0 | 0 | 0 | 0 | 113.1 | H1300 S1304 | H1300-S1302 PolarHBondContact O-N 3.19Å; S1302-S1304 PolarHBondContact O-N 3.16Å |
| 1303 | V | 43.8 | Very low | 48.8 | Very low | 127 Ų | 127 | 111.8 Ų | 111.8 | 77% | 0.77 | 66% | 0.661 | S | S | * | * | | | trans | -78.9 | 105.9 | 176.2 | -178 | 0 | 0 | 0 | 0 | 109.5 | L1301 Q1305 | L1301-V1303 HydrophobicContact CD2-CG2 4.23Å; L1301-V1303 PolarHBondContact O-N 3.16Å; V1303-Q1305 PolarHBondContact O-N 3.26Å |
| 1304 | S | 39.3 | Very low | 47.7 | Very low | 104 Ų | 104 | 113.1 Ų | 113.1 | 73% | 0.727 | 67% | 0.668 | S | S | * | * | | | trans | -70 | 118.3 | -175.2 | 46.6 | 0 | 0 | 0 | 0 | 113.9 | S1302 | S1302-S1304 PolarHBondContact O-N 3.16Š|
| 1305 | Q | 44.2 | Very low | 47.1 | Very low | 197 Ų | 197 | 112.2 Ų | 112.2 | 92% | 0.921 | 66% | 0.664 | S | S | * | * | | | trans | -166.5 | 152.8 | 132.8 | -106.1 | 162.6 | 8.4 | 0 | 0 | 111.3 | V1303 | V1303-Q1305 PolarHBondContact O-N 3.26Š|
| 1306 | G | 40 | Very low | 47 | Very low | 81 Ų | 81 | 113.4 Ų | 113.4 | 84% | 0.835 | 67% | 0.672 | S | S | * | * | | | trans | -84.1 | 130.2 | -159.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 1307 | V | 44.3 | Very low | 47.1 | Very low | 123 Ų | 123 | 110 Ų | 110 | 75% | 0.745 | 66% | 0.658 | S | S | * | * | | | trans | -132.7 | 126.8 | 155.6 | 179.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 1308 | S | 39.6 | Very low | 47.4 | Very low | 94 Ų | 94 | 110.2 Ų | 110.2 | 66% | 0.657 | 65% | 0.654 | S | S | * | * | | | trans | -67.9 | 132.9 | -170.2 | -71.4 | 0 | 0 | 0 | 0 | 114.3 | T1310 | S1308-T1310 PolarHBondContact O-N 3.42Å; S1308-T1310 PolarHBondContact O-OG1 3.02Å |
| 1309 | E | 47.4 | Very low | 48 | Very low | 161 Ų | 161 | 112.2 Ų | 112.2 | 75% | 0.752 | 65% | 0.653 | S | S | * | * | S | Bend | trans | 58.6 | -29.4 | 147.4 | -57.8 | -169 | 119.1 | 0 | 0 | 120.5 | V1311 | E1309-V1311 VanDerWaalsContact C-N 3.32Å; E1309-V1311 PolarHBondContact O-N 3.03Å |
| 1310 | T | 50.2 | Low | 48.6 | Very low | 116 Ų | 116 | 110.8 Ų | 110.8 | 71% | 0.712 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -27.3 | -176.7 | -44.2 | 0 | 0 | 0 | 0 | 113.1 | S1308 K1312 S1313 | S1308-T1310 PolarHBondContact O-N 3.42Å; S1308-T1310 PolarHBondContact O-OG1 3.02Å; T1310-K1312 VanDerWaalsContact C-N 3.3Å; T1310-K1312 PolarHBondContact O-N 2.95Å; T1310-S1313 PolarHBondContact O-N 3.43Å |
| 1311 | V | 52.7 | Low | 49.9 | Very low | 87 Ų | 87 | 107.4 Ų | 107.4 | 53% | 0.527 | 63% | 0.631 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.3 | -30.4 | -174.4 | -176.7 | 0 | 0 | 0 | 0 | 112.8 | E1309 S1313 V1314 E1315 | E1309-V1311 VanDerWaalsContact C-N 3.32Å; E1309-V1311 PolarHBondContact O-N 3.03Å; V1311-S1313 PolarHBondContact O-N 3.35Å; V1311-S1313 VanDerWaalsContact O-N 3.11Å; V1311-V1314 WeakPolarHBondContact O-CB 3.23Å; V1311-V1314 PolarHBondContact O-N 2.56Å; V1311-E1315 PolarHBondContact O-N 2.85Å |
| 1312 | K | 49.6 | Very low | 51.6 | Low | 161 Ų | 161 | 104 Ų | 104 | 70% | 0.7 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -60 | -26.7 | -176.4 | -70 | 179.4 | 178.4 | 172.7 | 0 | 113.7 | T1310 S1316 | T1310-K1312 VanDerWaalsContact C-N 3.3Å; T1310-K1312 PolarHBondContact O-N 2.95Å; K1312-S1316 PolarHBondContact O-OG 3.1Å |
| 1313 | S | 48.7 | Very low | 53.5 | Low | 95 Ų | 95 | 102.4 Ų | 102.4 | 66% | 0.664 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -81.1 | -16.8 | 176.9 | -169.6 | 0 | 0 | 0 | 0 | 113.9 | T1310 V1311 S1316 | T1310-S1313 PolarHBondContact O-N 3.43Å; V1311-S1313 PolarHBondContact O-N 3.35Å; V1311-S1313 VanDerWaalsContact O-N 3.11Å; S1313-S1316 PolarHBondContact O-OG 3.19Å; S1313-S1316 VanDerWaalsContact O-OG 3.05Å |
| 1314 | V | 53.5 | Low | 55.4 | Low | 89 Ų | 89 | 102 Ų | 102 | 54% | 0.539 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -84.4 | -43.7 | 177 | -176.8 | 0 | 0 | 0 | 0 | 109.7 | V1311 S1316 G1317 L1318 | V1311-V1314 WeakPolarHBondContact O-CB 3.23Å; V1311-V1314 PolarHBondContact O-N 2.56Å; V1314-S1316 VanDerWaalsContact C-N 3.25Å; V1314-S1316 PolarHBondContact O-N 3.44Å; V1314-G1317 PolarHBondContact O-N 2.99Å; V1314-L1318 HydrophobicContact CG1-CD1 4.46Å; V1314-L1318 PolarHBondContact O-N 3.08Å; V1314-L1318 VanDerWaalsContact O-N 3.13Å |
| 1315 | E | 51.4 | Low | 57.4 | Low | 102 Ų | 102 | 101.2 Ų | 101.2 | 48% | 0.477 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.8 | -30.4 | 179.3 | -156.2 | -167.2 | 141.9 | 0 | 0 | 112.8 | V1311 K1319 | V1311-E1315 PolarHBondContact O-N 2.85Å; E1315-K1319 WeakPolarHBondContact O-CG 3.3Å; E1315-K1319 PolarHBondContact O-N 2.89Å; E1315-K1319 IonicContact OE1-NZ 2.6Å; E1315-K1319 PolarHBondContact OE1-NZ 2.79Å |
| 1316 | S | 52.7 | Low | 59.3 | Low | 71 Ų | 71 | 93 Ų | 93 | 50% | 0.497 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -71.6 | -29.6 | 172.4 | 52.9 | 0 | 0 | 0 | 0 | 113.9 | K1312 S1313 V1314 S1320 | K1312-S1316 PolarHBondContact O-OG 3.1Å; S1313-S1316 PolarHBondContact O-OG 3.19Å; S1313-S1316 VanDerWaalsContact O-OG 3.05Å; V1314-S1316 VanDerWaalsContact C-N 3.25Å; V1314-S1316 PolarHBondContact O-N 3.44Å; S1316-S1320 PolarHBondContact O-N 2.79Å |
| 1317 | G | 55 | Low | 61.6 | Low | 27 Ų | 27 | 92.2 Ų | 92.2 | 28% | 0.278 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -76.2 | -43.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1314 K1319 S1320 D1321 | V1314-G1317 PolarHBondContact O-N 2.99Å; G1317-K1319 PolarHBondContact O-N 3.47Å; G1317-S1320 PolarHBondContact O-N 2.89Å; G1317-S1320 VanDerWaalsContact O-N 3.08Å; G1317-S1320 PolarHBondContact O-OG 3.3Å; G1317-D1321 PolarHBondContact O-N 2.94Å; G1317-D1321 VanDerWaalsContact O-N 3.08Å |
| 1318 | L | 56.7 | Low | 63.7 | Low | 105 Ų | 105 | 90.7 Ų | 90.7 | 55% | 0.55 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.3 | -38.5 | 176.1 | -64.8 | 173.2 | 0 | 0 | 0 | 111.7 | V1314 D1321 E1322 | V1314-L1318 HydrophobicContact CG1-CD1 4.46Å; V1314-L1318 PolarHBondContact O-N 3.08Å; V1314-L1318 VanDerWaalsContact O-N 3.13Å; L1318-D1321 PolarHBondContact O-N 2.95Å; L1318-E1322 WeakPolarHBondContact O-CG 3.11Å; L1318-E1322 PolarHBondContact O-N 3.35Å |
| 1319 | K | 60.4 | Low | 66.1 | Low | 117 Ų | 117 | 88.1 Ų | 88.1 | 51% | 0.509 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -73 | -25.6 | 177.8 | -68.4 | 173.6 | -171.3 | 174.6 | 0 | 113.8 | E1315 G1317 S1323 | E1315-K1319 WeakPolarHBondContact O-CG 3.3Å; E1315-K1319 PolarHBondContact O-N 2.89Å; E1315-K1319 IonicContact OE1-NZ 2.6Å; E1315-K1319 PolarHBondContact OE1-NZ 2.79Å; G1317-K1319 PolarHBondContact O-N 3.47Å; K1319-S1323 WeakPolarHBondContact O-CB 3.13Å; K1319-S1323 PolarHBondContact O-N 2.94Å; K1319-S1323 PolarHBondContact O-OG 2.98Å |
| 1320 | S | 61.9 | Low | 68.1 | Low | 58 Ų | 58 | 84.5 Ų | 84.5 | 41% | 0.406 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -70.4 | -44.4 | 168.5 | 52 | 0 | 0 | 0 | 0 | 111.1 | S1316 G1317 S1323 E1324 | S1316-S1320 PolarHBondContact O-N 2.79Å; G1317-S1320 PolarHBondContact O-N 2.89Å; G1317-S1320 VanDerWaalsContact O-N 3.08Å; G1317-S1320 PolarHBondContact O-OG 3.3Å; S1320-S1323 PolarHBondContact O-N 2.9Å; S1320-S1323 VanDerWaalsContact O-N 3.12Å; S1320-S1323 PolarHBondContact O-OG 2.85Å; S1320-E1324 PolarHBondContact O-N 2.98Å |
| 1321 | D | 74.8 | Confident | 70.1 | Confident | 95 Ų | 95 | 83.8 Ų | 83.8 | 51% | 0.508 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.7 | -41.2 | -173.3 | -63.1 | 7.6 | 0 | 0 | 0 | 111.7 | G1317 L1318 S1323 E1324 M1325 | G1317-D1321 PolarHBondContact O-N 2.94Å; G1317-D1321 VanDerWaalsContact O-N 3.08Å; L1318-D1321 PolarHBondContact O-N 2.95Å; D1321-S1323 VanDerWaalsContact C-N 3.32Å; D1321-S1323 PolarHBondContact O-N 3.42Å; D1321-E1324 PolarHBondContact O-N 3.02Å; D1321-M1325 WeakPolarHBondContact O-CG 3.48Å; D1321-M1325 PolarHBondContact O-N 3Å |
| 1322 | E | 77.2 | Confident | 72 | Confident | 66 Ų | 66 | 81.1 Ų | 81.1 | 31% | 0.308 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -58.5 | -42.1 | 169.8 | -74.4 | -179.2 | 168.3 | 0 | 0 | 111.9 | L1318 A1326 | L1318-E1322 WeakPolarHBondContact O-CG 3.11Å; L1318-E1322 PolarHBondContact O-N 3.35Å; E1322-A1326 VanDerWaalsContact O-CB 3.32Å; E1322-A1326 WeakPolarHBondContact O-CB 3.31Å; E1322-A1326 PolarHBondContact O-N 3.18Å |
| 1323 | S | 79.7 | Confident | 74 | Confident | 75 Ų | 75 | 74 Ų | 74 | 52% | 0.524 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -69.9 | -35.2 | 180 | 80.6 | 0 | 0 | 0 | 0 | 113 | K1319 S1320 D1321 S1327 | K1319-S1323 WeakPolarHBondContact O-CB 3.13Å; K1319-S1323 PolarHBondContact O-N 2.94Å; K1319-S1323 PolarHBondContact O-OG 2.98Å; S1320-S1323 PolarHBondContact O-N 2.9Å; S1320-S1323 VanDerWaalsContact O-N 3.12Å; S1320-S1323 PolarHBondContact O-OG 2.85Å; D1321-S1323 VanDerWaalsContact C-N 3.32Å; D1321-S1323 PolarHBondContact O-N 3.42Å; S1323-S1327 WeakPolarHBondContact O-CB 3.23Å; S1323-S1327 PolarHBondContact O-N 3.25Å |
| 1324 | E | 83.3 | Confident | 76.1 | Confident | 119 Ų | 119 | 75 Ų | 75 | 56% | 0.556 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -70.4 | -46 | 174.8 | -164.9 | -174.9 | 141.1 | 0 | 0 | 110.5 | S1320 D1321 A1326 S1327 Q1328 | S1320-E1324 PolarHBondContact O-N 2.98Å; D1321-E1324 PolarHBondContact O-N 3.02Å; E1324-A1326 PolarHBondContact O-N 2.65Å; E1324-S1327 WeakPolarHBondContact O-CA 3.46Å; E1324-S1327 VanDerWaalsContact O-CB 3.31Å; E1324-S1327 WeakPolarHBondContact O-CB 3.15Å; E1324-S1327 PolarHBondContact O-N 2.97Å; E1324-S1327 VanDerWaalsContact O-N 3.07Å; E1324-Q1328 WeakPolarHBondContact O-CG 3.36Å; E1324-Q1328 PolarHBondContact O-N 2.62Å; E1324-Q1328 PolarHBondContact OE1-NE2 3.34Å |
| 1325 | M | 81.3 | Confident | 78.1 | Confident | 87 Ų | 87 | 74.7 Ų | 74.7 | 43% | 0.429 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -56.8 | -49.1 | 174.3 | -74.3 | -166.6 | -67.8 | 0 | 0 | 111.1 | D1321 S1327 Q1328 F1329 | D1321-M1325 WeakPolarHBondContact O-CG 3.48Å; D1321-M1325 PolarHBondContact O-N 3Å; M1325-S1327 VanDerWaalsContact C-N 3.25Å; M1325-S1327 PolarHBondContact O-N 3.33Å; M1325-Q1328 PolarHBondContact O-N 2.91Å; M1325-Q1328 VanDerWaalsContact O-N 3.08Å; M1325-F1329 VanDerWaalsContact O-CD2 3.28Å; M1325-F1329 WeakPolarHBondContact O-CD2 3.4Å; M1325-F1329 PolarHBondContact O-N 3.04Å |
| 1326 | A | 85.6 | Confident | 80.1 | Confident | 24 Ų | 24 | 70.9 Ų | 70.9 | 20% | 0.198 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -57.7 | -37.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1288 E1322 E1324 N1330 | L1288-A1326 HydrophobicContact CD1-CB 3.96Å; E1322-A1326 VanDerWaalsContact O-CB 3.32Å; E1322-A1326 WeakPolarHBondContact O-CB 3.31Å; E1322-A1326 PolarHBondContact O-N 3.18Å; E1324-A1326 PolarHBondContact O-N 2.65Å; A1326-N1330 PolarHBondContact O-N 2.82Å; A1326-N1330 PolarHBondContact O-ND2 3.22Å |
| 1327 | S | 87.8 | Confident | 82 | Confident | 65 Ų | 65 | 71.3 Ų | 71.3 | 46% | 0.455 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.2 | -46 | 173.3 | -161.4 | 0 | 0 | 0 | 0 | 112.2 | S1323 E1324 M1325 N1330 I1331 | S1323-S1327 WeakPolarHBondContact O-CB 3.23Å; S1323-S1327 PolarHBondContact O-N 3.25Å; E1324-S1327 WeakPolarHBondContact O-CA 3.46Å; E1324-S1327 VanDerWaalsContact O-CB 3.31Å; E1324-S1327 WeakPolarHBondContact O-CB 3.15Å; E1324-S1327 PolarHBondContact O-N 2.97Å; E1324-S1327 VanDerWaalsContact O-N 3.07Å; M1325-S1327 VanDerWaalsContact C-N 3.25Å; M1325-S1327 PolarHBondContact O-N 3.33Å; S1327-N1330 PolarHBondContact O-N 3.42Å; S1327-I1331 VanDerWaalsContact O-CG1 3.32Å; S1327-I1331 WeakPolarHBondContact O-CG1 3.47Å; S1327-I1331 PolarHBondContact O-N 3.38Å |
| 1328 | Q | 88.8 | Confident | 83.9 | Confident | 91 Ų | 91 | 70.2 Ų | 70.2 | 43% | 0.425 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 177.3 | -66.1 | -175 | 26.7 | 0 | 0 | 112.1 | E1324 M1325 I1331 A1332 | E1324-Q1328 WeakPolarHBondContact O-CG 3.36Å; E1324-Q1328 PolarHBondContact O-N 2.62Å; E1324-Q1328 PolarHBondContact OE1-NE2 3.34Å; M1325-Q1328 PolarHBondContact O-N 2.91Å; M1325-Q1328 VanDerWaalsContact O-N 3.08Å; Q1328-I1331 PolarHBondContact O-N 3.08Å; Q1328-A1332 WeakPolarHBondContact O-CB 3.23Å; Q1328-A1332 PolarHBondContact O-N 3.26Å |
| 1329 | F | 88.8 | Confident | 85.5 | Confident | 40 Ų | 40 | 69 Ų | 69 | 18% | 0.175 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 173.5 | -86.4 | -79.5 | 0 | 0 | 0 | 112.1 | L1284 Q1287 L1288 I1291 M1325 I1331 A1332 I1333 | L1284-F1329 HydrophobicContact CB-CD1 4.36Å; L1284-F1329 HydrophobicContact CD2-CD1 4.03Å; L1284-F1329 HydrophobicContact CD2-CE1 3.78Å; Q1287-F1329 HydrophobicContact CB-CD1 4.48Å; Q1287-F1329 HydrophobicContact CB-CE1 3.76Å; Q1287-F1329 HydrophobicContact CB-CZ 4.19Å; L1288-F1329 HydrophobicContact CB-CB 4.33Å; L1288-F1329 HydrophobicContact CD1-CB 4.07Å; I1291-F1329 HydrophobicContact CD1-CD2 3.78Å; I1291-F1329 HydrophobicContact CD1-CE2 3.36Å; I1291-F1329 HydrophobicContact CD1-CZ 4Å; M1325-F1329 VanDerWaalsContact O-CD2 3.28Å; M1325-F1329 WeakPolarHBondContact O-CD2 3.4Å; M1325-F1329 PolarHBondContact O-N 3.04Å; F1329-I1331 VanDerWaalsContact C-N 3.35Å; F1329-I1331 PolarHBondContact O-N 3.41Å; F1329-A1332 PolarHBondContact O-N 3.26Å; F1329-I1333 VanDerWaalsContact O-CG1 3.31Å; F1329-I1333 WeakPolarHBondContact O-CG1 3.45Å; F1329-I1333 PolarHBondContact O-N 3.04Å |
| 1330 | N | 90.6 | Very high | 87.1 | Confident | 85 Ų | 85 | 63.5 Ų | 63.5 | 46% | 0.455 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 175.6 | -84.4 | -80.3 | 0 | 0 | 0 | 112.2 | A1326 S1327 A1332 I1333 E1334 | A1326-N1330 PolarHBondContact O-N 2.82Å; A1326-N1330 PolarHBondContact O-ND2 3.22Å; S1327-N1330 PolarHBondContact O-N 3.42Å; N1330-A1332 VanDerWaalsContact C-N 3.35Å; N1330-I1333 PolarHBondContact O-N 3.48Å; N1330-E1334 PolarHBondContact O-N 3.49Å |
| 1331 | I | 92.3 | Very high | 88.6 | Confident | 101 Ų | 101 | 63.9 Ų | 63.9 | 52% | 0.518 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 175 | -68.5 | 164 | 0 | 0 | 0 | 110.9 | S1327 Q1328 F1329 E1334 L1335 | S1327-I1331 VanDerWaalsContact O-CG1 3.32Å; S1327-I1331 WeakPolarHBondContact O-CG1 3.47Å; S1327-I1331 PolarHBondContact O-N 3.38Å; Q1328-I1331 PolarHBondContact O-N 3.08Å; F1329-I1331 VanDerWaalsContact C-N 3.35Å; F1329-I1331 PolarHBondContact O-N 3.41Å; I1331-E1334 PolarHBondContact O-N 2.94Å; I1331-L1335 HydrophobicContact CG2-CD1 4.08Å; I1331-L1335 WeakPolarHBondContact O-CB 3.46Å; I1331-L1335 VanDerWaalsContact O-CG 3.29Å; I1331-L1335 WeakPolarHBondContact O-CG 3.32Å; I1331-L1335 PolarHBondContact O-N 3.17Å |
| 1332 | A | 92.1 | Very high | 89.3 | Confident | 31 Ų | 31 | 65.8 Ų | 65.8 | 26% | 0.256 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1284 Q1328 F1329 N1330 L1335 I1336 | L1284-A1332 HydrophobicContact CD1-CB 3.71Å; Q1328-A1332 WeakPolarHBondContact O-CB 3.23Å; Q1328-A1332 PolarHBondContact O-N 3.26Å; F1329-A1332 PolarHBondContact O-N 3.26Å; N1330-A1332 VanDerWaalsContact C-N 3.35Å; A1332-L1335 WeakPolarHBondContact O-CB 3.39Å; A1332-L1335 PolarHBondContact O-N 3.31Å; A1332-I1336 WeakPolarHBondContact O-CG1 3.27Å; A1332-I1336 PolarHBondContact O-N 3.3Å |
| 1333 | I | 92.4 | Very high | 90 | Very high | 12 Ų | 12 | 64.2 Ų | 64.2 | 6% | 0.062 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 176.3 | -70 | 164.6 | 0 | 0 | 0 | 111.1 | L1284 A1285 L1288 F1329 N1330 L1335 I1336 K1337 | L1284-I1333 HydrophobicContact CB-CD1 4.26Å; L1284-I1333 HydrophobicContact CB-CG1 3.81Å; L1284-I1333 HydrophobicContact CD1-CG1 4.48Å; A1285-I1333 HydrophobicContact CB-CD1 4.44Å; L1288-I1333 HydrophobicContact CD2-CD1 3.85Å; F1329-I1333 VanDerWaalsContact O-CG1 3.31Å; F1329-I1333 WeakPolarHBondContact O-CG1 3.45Å; F1329-I1333 PolarHBondContact O-N 3.04Å; N1330-I1333 PolarHBondContact O-N 3.48Å; I1333-L1335 PolarHBondContact O-N 3.3Å; I1333-I1336 PolarHBondContact O-N 3.36Å; I1333-K1337 HydrophobicContact CG2-CD 4.18Å; I1333-K1337 VanDerWaalsContact CG2-CE 3.48Å; I1333-K1337 WeakPolarHBondContact O-CG 3.32Å; I1333-K1337 PolarHBondContact O-N 2.92Å |
| 1334 | E | 92.9 | Very high | 90.6 | Very high | 114 Ų | 114 | 65 Ų | 65 | 53% | 0.533 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.1 | -33.3 | 176.1 | -71.5 | -58.6 | 122.1 | 0 | 0 | 113 | N1330 I1331 K1337 G1338 | N1330-E1334 PolarHBondContact O-N 3.49Å; I1331-E1334 PolarHBondContact O-N 2.94Å; E1334-K1337 WeakPolarHBondContact OE1-CD 3.25Å; E1334-K1337 IonicContact OE1-NZ 2.95Å; E1334-K1337 PolarHBondContact OE1-NZ 2.97Å; E1334-G1338 PolarHBondContact O-N 3.29Å |
| 1335 | L | 94 | Very high | 91 | Very high | 83 Ų | 83 | 66 Ų | 66 | 44% | 0.435 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 170.7 | -74.4 | 168.9 | 0 | 0 | 0 | 111.6 | L1153 I1331 A1332 I1333 G1338 I1339 | L1153-L1335 HydrophobicContact CD1-CD2 3.75Å; I1331-L1335 HydrophobicContact CG2-CD1 4.08Å; I1331-L1335 WeakPolarHBondContact O-CB 3.46Å; I1331-L1335 VanDerWaalsContact O-CG 3.29Å; I1331-L1335 WeakPolarHBondContact O-CG 3.32Å; I1331-L1335 PolarHBondContact O-N 3.17Å; A1332-L1335 WeakPolarHBondContact O-CB 3.39Å; A1332-L1335 PolarHBondContact O-N 3.31Å; I1333-L1335 PolarHBondContact O-N 3.3Å; L1335-G1338 PolarHBondContact O-N 2.95Å; L1335-I1339 VanDerWaalsContact O-CG1 3.3Å; L1335-I1339 WeakPolarHBondContact O-CG1 3.44Å; L1335-I1339 PolarHBondContact O-N 3.2Å |
| 1336 | I | 93.4 | Very high | 91.4 | Very high | 23 Ų | 23 | 65.4 Ų | 65.4 | 12% | 0.118 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.4 | -47.5 | 176.4 | -74.6 | -179.2 | 0 | 0 | 0 | 111 | I1277 M1280 E1281 L1284 A1332 I1333 G1338 I1339 S1340 | I1277-I1336 HydrophobicContact CG2-CG2 4.02Å; I1277-I1336 VanDerWaalsContact O-CG2 3.29Å; I1277-I1336 WeakPolarHBondContact O-CG2 3.31Å; M1280-I1336 HydrophobicContact CB-CD1 3.84Å; E1281-I1336 HydrophobicContact CB-CG2 3.62Å; E1281-I1336 HydrophobicContact CG-CG2 3.84Å; L1284-I1336 HydrophobicContact CD1-CD1 3.6Å; L1284-I1336 HydrophobicContact CG-CD1 4.39Å; A1332-I1336 WeakPolarHBondContact O-CG1 3.27Å; A1332-I1336 PolarHBondContact O-N 3.3Å; I1333-I1336 PolarHBondContact O-N 3.36Å; I1336-G1338 VanDerWaalsContact C-N 3.31Å; I1336-G1338 PolarHBondContact O-N 2.74Å; I1336-I1339 PolarHBondContact O-N 3.27Å; I1336-I1339 VanDerWaalsContact O-N 3.1Å; I1336-S1340 VanDerWaalsContact O-CB 3.3Å; I1336-S1340 WeakPolarHBondContact O-CB 3.13Å; I1336-S1340 PolarHBondContact O-N 3.1Å |
| 1337 | K | 93.4 | Very high | 91.7 | Very high | 79 Ų | 79 | 64.8 Ų | 64.8 | 34% | 0.343 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -55.8 | -44.2 | 172.9 | -74.5 | 166.8 | -174.7 | 171.9 | 0 | 112.2 | E1281 I1333 E1334 I1339 S1340 Q1341 | E1281-K1337 HydrophobicContact CG-CG 4.3Å; E1281-K1337 VanDerWaalsContact OE1-CE 3.22Å; E1281-K1337 WeakPolarHBondContact OE1-CE 3.42Å; E1281-K1337 WeakPolarHBondContact OE1-CG 3.44Å; I1333-K1337 HydrophobicContact CG2-CD 4.18Å; I1333-K1337 VanDerWaalsContact CG2-CE 3.48Å; I1333-K1337 WeakPolarHBondContact O-CG 3.32Å; I1333-K1337 PolarHBondContact O-N 2.92Å; E1334-K1337 WeakPolarHBondContact OE1-CD 3.25Å; E1334-K1337 IonicContact OE1-NZ 2.95Å; E1334-K1337 PolarHBondContact OE1-NZ 2.97Å; K1337-I1339 VanDerWaalsContact C-N 3.32Å; K1337-I1339 PolarHBondContact O-N 3.42Å; K1337-S1340 WeakPolarHBondContact O-CB 3.47Å; K1337-S1340 PolarHBondContact O-N 2.87Å; K1337-Q1341 WeakPolarHBondContact O-CB 3.49Å; K1337-Q1341 PolarHBondContact O-N 3.39Å |
| 1338 | G | 93.7 | Very high | 91.8 | Very high | 5 Ų | 5 | 65 Ų | 65 | 5% | 0.052 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.7 | -34.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E1334 L1335 I1336 R1342 | E1334-G1338 PolarHBondContact O-N 3.29Å; L1335-G1338 PolarHBondContact O-N 2.95Å; I1336-G1338 VanDerWaalsContact C-N 3.31Å; I1336-G1338 PolarHBondContact O-N 2.74Å; G1338-R1342 WeakPolarHBondContact O-CD 3.29Å; G1338-R1342 VanDerWaalsContact O-CG 3.25Å; G1338-R1342 WeakPolarHBondContact O-CG 3.48Å; G1338-R1342 PolarHBondContact O-N 3.36Å |
| 1339 | I | 92 | Very high | 91.8 | Very high | 79 Ų | 79 | 62.5 Ų | 62.5 | 41% | 0.405 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -75.6 | -45.3 | 174 | -62.2 | 162.1 | 0 | 0 | 0 | 110.5 | I1277 L1335 I1336 K1337 Q1341 R1342 K1343 | I1277-I1339 HydrophobicContact CD1-CG2 3.8Å; L1335-I1339 VanDerWaalsContact O-CG1 3.3Å; L1335-I1339 WeakPolarHBondContact O-CG1 3.44Å; L1335-I1339 PolarHBondContact O-N 3.2Å; I1336-I1339 PolarHBondContact O-N 3.27Å; I1336-I1339 VanDerWaalsContact O-N 3.1Å; K1337-I1339 VanDerWaalsContact C-N 3.32Å; K1337-I1339 PolarHBondContact O-N 3.42Å; I1339-Q1341 VanDerWaalsContact C-N 3.32Å; I1339-Q1341 PolarHBondContact O-N 3.36Å; I1339-R1342 PolarHBondContact O-N 3.39Å; I1339-K1343 PolarHBondContact O-N 3.45Å |
| 1340 | S | 93.2 | Very high | 91.7 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.007 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -53.1 | -46.2 | 174.6 | 179.3 | 0 | 0 | 0 | 0 | 111.5 | L1274 I1336 K1337 K1343 K1344 | L1274-S1340 WeakPolarHBondContact CD1-O 3.39Å; I1336-S1340 VanDerWaalsContact O-CB 3.3Å; I1336-S1340 WeakPolarHBondContact O-CB 3.13Å; I1336-S1340 PolarHBondContact O-N 3.1Å; K1337-S1340 WeakPolarHBondContact O-CB 3.47Å; K1337-S1340 PolarHBondContact O-N 2.87Å; S1340-K1343 PolarHBondContact O-N 3Å; S1340-K1344 VanDerWaalsContact O-CG 3.29Å; S1340-K1344 WeakPolarHBondContact O-CG 3.42Å; S1340-K1344 PolarHBondContact O-N 3.36Å; S1340-K1344 PolarHBondContact OG-NZ 2.82Å |
| 1341 | Q | 92.5 | Very high | 91.6 | Very high | 66 Ų | 66 | 62.3 Ų | 62.3 | 31% | 0.308 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.4 | -40 | 175.5 | -168.1 | -176.7 | 17.6 | 0 | 0 | 112.6 | K1337 I1339 K1344 Y1345 | K1337-Q1341 WeakPolarHBondContact O-CB 3.49Å; K1337-Q1341 PolarHBondContact O-N 3.39Å; I1339-Q1341 VanDerWaalsContact C-N 3.32Å; I1339-Q1341 PolarHBondContact O-N 3.36Å; Q1341-K1344 PolarHBondContact O-N 2.92Å; Q1341-Y1345 HydrophobicContact CG-CD2 4.11Å; Q1341-Y1345 HydrophobicContact CG-CE2 3.7Å; Q1341-Y1345 WeakPolarHBondContact O-CD2 3.43Å; Q1341-Y1345 PolarHBondContact O-N 3.48Å; Q1341-Y1345 VanDerWaalsContact O-N 3.1Å |
| 1342 | R | 89.8 | Confident | 91.3 | Very high | 136 Ų | 136 | 64.8 Ų | 64.8 | 51% | 0.513 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.6 | -40.4 | 177.2 | -73.3 | 168.8 | -176.4 | 176.6 | 2.7 | 112.2 | L1153 G1338 I1339 Y1345 L1346 | L1153-R1342 VanDerWaalsContact CD2-NH2 3.3Å; G1338-R1342 WeakPolarHBondContact O-CD 3.29Å; G1338-R1342 VanDerWaalsContact O-CG 3.25Å; G1338-R1342 WeakPolarHBondContact O-CG 3.48Å; G1338-R1342 PolarHBondContact O-N 3.36Å; I1339-R1342 PolarHBondContact O-N 3.39Å; R1342-Y1345 PolarHBondContact O-N 3.22Å; R1342-L1346 WeakPolarHBondContact O-CB 3.43Å; R1342-L1346 PolarHBondContact O-N 3.39Å |
| 1343 | K | 91.8 | Very high | 90.8 | Very high | 32 Ų | 32 | 67.4 Ų | 67.4 | 14% | 0.139 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 174.2 | -81.9 | -168.5 | 169.9 | -82.1 | 0 | 112.5 | E1270 T1273 L1274 I1277 I1339 S1340 Y1345 L1346 L1347 | E1270-K1343 IonicContact OE1-NZ 2.73Å; E1270-K1343 PolarHBondContact OE1-NZ 3.32Å; E1270-K1343 WeakPolarHBondContact OE2-CG 3.35Å; E1270-K1343 IonicContact OE2-NZ 2.67Å; E1270-K1343 PolarHBondContact OE2-NZ 2.95Å; T1273-K1343 PolarHBondContact OG1-NZ 2.79Å; L1274-K1343 HydrophobicContact CB-CB 4.3Å; L1274-K1343 HydrophobicContact CB-CD 4.33Å; L1274-K1343 HydrophobicContact CD1-CB 4.07Å; I1277-K1343 HydrophobicContact CD1-CD 3.69Å; I1339-K1343 PolarHBondContact O-N 3.45Å; S1340-K1343 PolarHBondContact O-N 3Å; K1343-Y1345 PolarHBondContact O-N 3.37Å; K1343-L1346 PolarHBondContact O-N 3.16Å; K1343-L1347 WeakPolarHBondContact O-CG 3.32Å; K1343-L1347 PolarHBondContact O-N 3.32Å |
| 1344 | K | 92.8 | Very high | 90.2 | Very high | 91 Ų | 91 | 67.2 Ų | 67.2 | 40% | 0.396 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -56 | -51.3 | 171.4 | -70.3 | 163 | -172.7 | 164.5 | 0 | 111.3 | L1274 S1340 Q1341 L1346 L1347 D1348 | L1274-K1344 HydrophobicContact CD1-CG 4.17Å; L1274-K1344 HydrophobicContact CD2-CG 3.67Å; S1340-K1344 VanDerWaalsContact O-CG 3.29Å; S1340-K1344 WeakPolarHBondContact O-CG 3.42Å; S1340-K1344 PolarHBondContact O-N 3.36Å; S1340-K1344 PolarHBondContact OG-NZ 2.82Å; Q1341-K1344 PolarHBondContact O-N 2.92Å; K1344-L1346 VanDerWaalsContact C-N 3.29Å; K1344-L1346 PolarHBondContact O-N 3.21Å; K1344-L1347 WeakPolarHBondContact O-CB 3.38Å; K1344-L1347 PolarHBondContact O-N 2.95Å; K1344-D1348 PolarHBondContact O-N 3.48Å |
| 1345 | Y | 91 | Very high | 89.6 | Confident | 141 Ų | 141 | 64.3 Ų | 64.3 | 55% | 0.553 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -65 | -28.9 | 176.5 | -71.4 | -48.2 | 0 | 0 | 0 | 114.4 | Q1341 R1342 K1343 S1349 | Q1341-Y1345 HydrophobicContact CG-CD2 4.11Å; Q1341-Y1345 HydrophobicContact CG-CE2 3.7Å; Q1341-Y1345 WeakPolarHBondContact O-CD2 3.43Å; Q1341-Y1345 PolarHBondContact O-N 3.48Å; Q1341-Y1345 VanDerWaalsContact O-N 3.1Å; R1342-Y1345 PolarHBondContact O-N 3.22Å; K1343-Y1345 PolarHBondContact O-N 3.37Å; Y1345-S1349 PolarHBondContact O-N 3.19Å; Y1345-S1349 VanDerWaalsContact O-N 3.12Å |
| 1346 | L | 90.5 | Very high | 88.9 | Confident | 74 Ų | 74 | 64.4 Ų | 64.4 | 39% | 0.387 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.9 | -47.5 | 173.3 | -179.2 | 54.6 | 0 | 0 | 0 | 110.6 | E1270 R1342 K1343 K1344 D1348 S1349 I1350 | E1270-L1346 HydrophobicContact CG-CD2 4.18Å; E1270-L1346 WeakPolarHBondContact OE2-CD2 3.47Å; R1342-L1346 WeakPolarHBondContact O-CB 3.43Å; R1342-L1346 PolarHBondContact O-N 3.39Å; K1343-L1346 PolarHBondContact O-N 3.16Å; K1344-L1346 VanDerWaalsContact C-N 3.29Å; K1344-L1346 PolarHBondContact O-N 3.21Å; L1346-D1348 PolarHBondContact O-N 2.96Å; L1346-S1349 CarbonylContact O-C 3.57Å; L1346-S1349 WeakPolarHBondContact O-CA 3.47Å; L1346-S1349 WeakPolarHBondContact O-CB 3.25Å; L1346-S1349 PolarHBondContact O-N 3.06Å; L1346-S1349 PolarHBondContact O-OG 3.17Å; L1346-I1350 HydrophobicContact CD1-CD1 4.13Å; L1346-I1350 HydrophobicContact CD1-CG1 4.31Å; L1346-I1350 HydrophobicContact CG-CD1 3.91Å; L1346-I1350 WeakPolarHBondContact O-CG1 3.49Å; L1346-I1350 PolarHBondContact O-N 2.94Å |
| 1347 | L | 91.9 | Very high | 88 | Confident | 12 Ų | 12 | 64.2 Ų | 64.2 | 6% | 0.063 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.5 | -48.4 | 172.3 | -74.7 | 166.2 | 0 | 0 | 0 | 111.9 | A1267 E1270 L1271 L1274 K1343 K1344 S1349 I1350 Q1351 | A1267-L1347 HydrophobicContact CB-CD2 4.41Å; A1267-L1347 VanDerWaalsContact O-CD2 3.23Å; A1267-L1347 WeakPolarHBondContact O-CD2 3.28Å; E1270-L1347 HydrophobicContact CB-CD2 3.55Å; E1270-L1347 HydrophobicContact CB-CG 4Å; L1271-L1347 HydrophobicContact CB-CD1 4.45Å; L1271-L1347 HydrophobicContact CB-CD2 4.31Å; L1271-L1347 HydrophobicContact CD1-CD1 4.32Å; L1274-L1347 HydrophobicContact CB-CD1 4.36Å; L1274-L1347 HydrophobicContact CD2-CD1 3.66Å; K1343-L1347 WeakPolarHBondContact O-CG 3.32Å; K1343-L1347 PolarHBondContact O-N 3.32Å; K1344-L1347 WeakPolarHBondContact O-CB 3.38Å; K1344-L1347 PolarHBondContact O-N 2.95Å; L1347-S1349 PolarHBondContact O-N 3.43Å; L1347-S1349 VanDerWaalsContact O-N 3.15Å; L1347-I1350 PolarHBondContact O-N 3.29Å; L1347-I1350 VanDerWaalsContact O-N 3.12Å; L1347-Q1351 WeakPolarHBondContact O-CB 3.32Å; L1347-Q1351 WeakPolarHBondContact O-CG 3.34Å; L1347-Q1351 PolarHBondContact O-N 3.29Å |
| 1348 | D | 90.9 | Very high | 87.1 | Confident | 68 Ų | 68 | 63.9 Ų | 63.9 | 36% | 0.364 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -55.3 | -34.8 | 174.5 | -63.2 | -22.5 | 0 | 0 | 0 | 111.5 | K1344 L1346 R1352 | K1344-D1348 PolarHBondContact O-N 3.48Å; L1346-D1348 PolarHBondContact O-N 2.96Å; D1348-R1352 WeakPolarHBondContact O-CB 3.19Å; D1348-R1352 WeakPolarHBondContact O-CG 3.3Å; D1348-R1352 PolarHBondContact O-N 3.35Å; D1348-R1352 PolarHBondContact O-NE 2.9Å; D1348-R1352 PolarHBondContact O-NH2 3.29Å |
| 1349 | S | 88.2 | Confident | 86.3 | Confident | 39 Ų | 39 | 68.8 Ų | 68.8 | 27% | 0.273 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -76.5 | -41.2 | 178.1 | 79.5 | 0 | 0 | 0 | 0 | 112.5 | Y1345 L1346 L1347 R1352 I1353 | Y1345-S1349 PolarHBondContact O-N 3.19Å; Y1345-S1349 VanDerWaalsContact O-N 3.12Å; L1346-S1349 CarbonylContact O-C 3.57Å; L1346-S1349 WeakPolarHBondContact O-CA 3.47Å; L1346-S1349 WeakPolarHBondContact O-CB 3.25Å; L1346-S1349 PolarHBondContact O-N 3.06Å; L1346-S1349 PolarHBondContact O-OG 3.17Å; L1347-S1349 PolarHBondContact O-N 3.43Å; L1347-S1349 VanDerWaalsContact O-N 3.15Å; S1349-R1352 PolarHBondContact O-N 3Å; S1349-I1353 VanDerWaalsContact O-CG1 3.27Å; S1349-I1353 WeakPolarHBondContact O-CG1 3.29Å; S1349-I1353 PolarHBondContact O-N 2.92Å |
| 1350 | I | 87.1 | Confident | 85.5 | Confident | 5 Ų | 5 | 69 Ų | 69 | 3% | 0.026 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.1 | -45.7 | 176.9 | -63.8 | 158.4 | 0 | 0 | 0 | 109.9 | L1263 L1266 A1267 E1270 L1346 L1347 R1352 I1353 S1354 | L1263-I1350 HydrophobicContact CB-CG2 4.32Å; L1263-I1350 HydrophobicContact CD2-CG2 4.01Å; L1263-I1350 WeakPolarHBondContact O-CG2 3.48Å; L1266-I1350 HydrophobicContact CD2-CD1 3.88Å; L1266-I1350 HydrophobicContact CD2-CG1 4.04Å; L1266-I1350 HydrophobicContact CG-CD1 3.81Å; L1266-I1350 HydrophobicContact CG-CG1 4.44Å; A1267-I1350 HydrophobicContact CB-CG2 3.86Å; E1270-I1350 HydrophobicContact CB-CD1 4.33Å; E1270-I1350 HydrophobicContact CG-CD1 4.01Å; L1346-I1350 HydrophobicContact CD1-CD1 4.13Å; L1346-I1350 HydrophobicContact CD1-CG1 4.31Å; L1346-I1350 HydrophobicContact CG-CD1 3.91Å; L1346-I1350 WeakPolarHBondContact O-CG1 3.49Å; L1346-I1350 PolarHBondContact O-N 2.94Å; L1347-I1350 PolarHBondContact O-N 3.29Å; L1347-I1350 VanDerWaalsContact O-N 3.12Å; I1350-R1352 VanDerWaalsContact C-N 3.34Å; I1350-R1352 PolarHBondContact O-N 3.46Å; I1350-I1353 PolarHBondContact O-N 3.34Å; I1350-I1353 VanDerWaalsContact O-N 3.16Å; I1350-S1354 WeakPolarHBondContact O-CB 3.28Å; I1350-S1354 PolarHBondContact O-N 3.45Å |
| 1351 | Q | 87 | Confident | 84.6 | Confident | 117 Ų | 117 | 70.9 Ų | 70.9 | 55% | 0.547 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61 | -40.1 | 176.6 | -71.7 | 180 | -4.6 | 0 | 0 | 112.4 | L1347 S1354 S1355 | L1347-Q1351 WeakPolarHBondContact O-CB 3.32Å; L1347-Q1351 WeakPolarHBondContact O-CG 3.34Å; L1347-Q1351 PolarHBondContact O-N 3.29Å; Q1351-S1354 PolarHBondContact O-N 3.21Å; Q1351-S1355 WeakPolarHBondContact O-CB 3.5Å; Q1351-S1355 PolarHBondContact O-N 3.5Å; Q1351-S1355 PolarHBondContact O-OG 3.09Å |
| 1352 | R | 87.1 | Confident | 83.8 | Confident | 153 Ų | 153 | 74 Ų | 74 | 58% | 0.577 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -68.7 | -32 | 174.5 | -80.4 | 176.5 | -68.9 | 169.2 | -1.4 | 113.5 | D1348 S1349 I1350 S1355 V1356 | D1348-R1352 WeakPolarHBondContact O-CB 3.19Å; D1348-R1352 WeakPolarHBondContact O-CG 3.3Å; D1348-R1352 PolarHBondContact O-N 3.35Å; D1348-R1352 PolarHBondContact O-NE 2.9Å; D1348-R1352 PolarHBondContact O-NH2 3.29Å; S1349-R1352 PolarHBondContact O-N 3Å; I1350-R1352 VanDerWaalsContact C-N 3.34Å; I1350-R1352 PolarHBondContact O-N 3.46Å; R1352-S1355 PolarHBondContact O-OG 3.49Å; R1352-V1356 WeakPolarHBondContact O-CB 3.44Å; R1352-V1356 VanDerWaalsContact O-CG2 3.25Å; R1352-V1356 WeakPolarHBondContact O-CG2 3.46Å; R1352-V1356 PolarHBondContact O-N 2.97Å; R1352-V1356 VanDerWaalsContact O-N 3.16Å |
| 1353 | I | 80.5 | Confident | 83.1 | Confident | 86 Ų | 86 | 74.3 Ų | 74.3 | 44% | 0.441 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -73.6 | -46.4 | 173.4 | -60.8 | 163 | 0 | 0 | 0 | 109.1 | L1263 S1349 I1350 S1355 V1356 T1357 | L1263-I1353 HydrophobicContact CD1-CB 4.28Å; L1263-I1353 HydrophobicContact CD1-CG2 3.56Å; L1263-I1353 HydrophobicContact CD2-CB 4.25Å; L1263-I1353 HydrophobicContact CD2-CG2 4.06Å; L1263-I1353 HydrophobicContact CG-CG2 4.5Å; S1349-I1353 VanDerWaalsContact O-CG1 3.27Å; S1349-I1353 WeakPolarHBondContact O-CG1 3.29Å; S1349-I1353 PolarHBondContact O-N 2.92Å; I1350-I1353 PolarHBondContact O-N 3.34Å; I1350-I1353 VanDerWaalsContact O-N 3.16Å; I1353-S1355 VanDerWaalsContact C-N 3.33Å; I1353-S1355 PolarHBondContact O-N 2.82Å; I1353-V1356 PolarHBondContact O-N 3.46Å; I1353-V1356 VanDerWaalsContact O-N 3.17Å; I1353-T1357 WeakPolarHBondContact O-CB 3.19Å; I1353-T1357 PolarHBondContact O-N 3.03Å; I1353-T1357 PolarHBondContact O-OG1 3.09Å |
| 1354 | S | 79.7 | Confident | 82.1 | Confident | 7 Ų | 7 | 78.6 Ų | 78.6 | 5% | 0.049 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -55 | -44.8 | 175.4 | 179.2 | 0 | 0 | 0 | 0 | 111.8 | D1264 I1350 Q1351 T1357 K1358 | D1264-S1354 PolarHBondContact OD1-OG 2.89Å; I1350-S1354 WeakPolarHBondContact O-CB 3.28Å; I1350-S1354 PolarHBondContact O-N 3.45Å; Q1351-S1354 PolarHBondContact O-N 3.21Å; S1354-T1357 PolarHBondContact O-N 3.36Å; S1354-K1358 WeakPolarHBondContact O-CB 3.48Å; S1354-K1358 VanDerWaalsContact O-CG 3.28Å; S1354-K1358 WeakPolarHBondContact O-CG 3.35Å; S1354-K1358 PolarHBondContact O-N 3.49Å; S1354-K1358 WeakPolarHBondContact OG-CE 3.17Å; S1354-K1358 PolarHBondContact OG-NZ 3.18Å |
| 1355 | S | 82.2 | Confident | 81.2 | Confident | 54 Ų | 54 | 75.8 Ų | 75.8 | 38% | 0.378 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -69.2 | -37.6 | 176.8 | 67.5 | 0 | 0 | 0 | 0 | 113.5 | Q1351 R1352 I1353 N1359 | Q1351-S1355 WeakPolarHBondContact O-CB 3.5Å; Q1351-S1355 PolarHBondContact O-N 3.5Å; Q1351-S1355 PolarHBondContact O-OG 3.09Å; R1352-S1355 PolarHBondContact O-OG 3.49Å; I1353-S1355 VanDerWaalsContact C-N 3.33Å; I1353-S1355 PolarHBondContact O-N 2.82Å; S1355-N1359 VanDerWaalsContact O-CB 3.28Å; S1355-N1359 WeakPolarHBondContact O-CB 3.05Å; S1355-N1359 PolarHBondContact O-N 3.18Å; S1355-N1359 PolarHBondContact O-ND2 3.45Å; S1355-N1359 PolarHBondContact O-OD1 2.81Å |
| 1356 | V | 78.5 | Confident | 80.4 | Confident | 84 Ų | 84 | 72.5 Ų | 72.5 | 51% | 0.509 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.5 | -42 | 172.3 | 168.4 | 0 | 0 | 0 | 0 | 111.4 | R1352 I1353 N1359 L1360 | R1352-V1356 WeakPolarHBondContact O-CB 3.44Å; R1352-V1356 VanDerWaalsContact O-CG2 3.25Å; R1352-V1356 WeakPolarHBondContact O-CG2 3.46Å; R1352-V1356 PolarHBondContact O-N 2.97Å; R1352-V1356 VanDerWaalsContact O-N 3.16Å; I1353-V1356 PolarHBondContact O-N 3.46Å; I1353-V1356 VanDerWaalsContact O-N 3.17Å; V1356-N1359 PolarHBondContact O-N 3.04Å; V1356-L1360 HydrophobicContact CG1-CD1 4.1Å; V1356-L1360 VanDerWaalsContact O-CG 3.32Å; V1356-L1360 WeakPolarHBondContact O-CG 3.42Å; V1356-L1360 PolarHBondContact O-N 3.11Å |
| 1357 | T | 73.7 | Confident | 79.3 | Confident | 19 Ų | 19 | 71.3 Ų | 71.3 | 12% | 0.117 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.4 | -44.8 | 176.8 | -60 | 0 | 0 | 0 | 0 | 111.1 | V1256 A1260 I1353 S1354 L1360 V1361 | V1256-T1357 HydrophobicContact CG1-CG2 3.89Å; V1256-T1357 WeakPolarHBondContact O-CG2 3.46Å; A1260-T1357 HydrophobicContact CB-CG2 3.83Å; I1353-T1357 WeakPolarHBondContact O-CB 3.19Å; I1353-T1357 PolarHBondContact O-N 3.03Å; I1353-T1357 PolarHBondContact O-OG1 3.09Å; S1354-T1357 PolarHBondContact O-N 3.36Å; T1357-L1360 PolarHBondContact O-N 3.22Å; T1357-V1361 WeakPolarHBondContact O-CG2 3.46Å; T1357-V1361 PolarHBondContact O-N 3.02Å |
| 1358 | K | 75.3 | Confident | 77.8 | Confident | 73 Ų | 73 | 72.7 Ų | 72.7 | 32% | 0.317 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 174.7 | -74.9 | 165.1 | 177.9 | 163.8 | 0 | 112 | D1264 S1354 L1360 V1361 H1362 | D1264-K1358 IonicContact OD1-NZ 2.69Å; D1264-K1358 PolarHBondContact OD1-NZ 2.92Å; D1264-K1358 IonicContact OD2-NZ 2.7Å; D1264-K1358 PolarHBondContact OD2-NZ 3.17Å; S1354-K1358 WeakPolarHBondContact O-CB 3.48Å; S1354-K1358 VanDerWaalsContact O-CG 3.28Å; S1354-K1358 WeakPolarHBondContact O-CG 3.35Å; S1354-K1358 PolarHBondContact O-N 3.49Å; S1354-K1358 WeakPolarHBondContact OG-CE 3.17Å; S1354-K1358 PolarHBondContact OG-NZ 3.18Å; K1358-L1360 VanDerWaalsContact C-N 3.32Å; K1358-L1360 PolarHBondContact O-N 3.33Å; K1358-V1361 PolarHBondContact O-N 2.89Å; K1358-H1362 PolarHBondContact O-CD2 2.91Å; K1358-H1362 PolarHBondContact O-N 3.44Å |
| 1359 | N | 77.5 | Confident | 76.5 | Confident | 108 Ų | 108 | 74.6 Ų | 74.6 | 58% | 0.578 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -62.8 | -37.2 | 174.6 | -71.8 | -6 | 0 | 0 | 0 | 112.2 | S1355 V1356 H1363 | S1355-N1359 VanDerWaalsContact O-CB 3.28Å; S1355-N1359 WeakPolarHBondContact O-CB 3.05Å; S1355-N1359 PolarHBondContact O-N 3.18Å; S1355-N1359 PolarHBondContact O-ND2 3.45Å; S1355-N1359 PolarHBondContact O-OD1 2.81Å; V1356-N1359 PolarHBondContact O-N 3.04Å; N1359-H1363 VanDerWaalsContact O-CB 3.29Å; N1359-H1363 WeakPolarHBondContact O-CB 3.29Å; N1359-H1363 PolarHBondContact O-N 3.43Å |
| 1360 | L | 74.6 | Confident | 75.5 | Confident | 84 Ų | 84 | 77.3 Ų | 77.3 | 44% | 0.44 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.9 | -44.1 | 172.4 | -73.3 | 164.8 | 0 | 0 | 0 | 111.6 | V1356 T1357 K1358 H1362 H1363 F1364 | V1356-L1360 HydrophobicContact CG1-CD1 4.1Å; V1356-L1360 VanDerWaalsContact O-CG 3.32Å; V1356-L1360 WeakPolarHBondContact O-CG 3.42Å; V1356-L1360 PolarHBondContact O-N 3.11Å; T1357-L1360 PolarHBondContact O-N 3.22Å; K1358-L1360 VanDerWaalsContact C-N 3.32Å; K1358-L1360 PolarHBondContact O-N 3.33Å; L1360-H1362 PolarHBondContact O-N 2.9Å; L1360-H1363 PolarHBondContact O-N 3.32Å; L1360-F1364 HydrophobicContact CD2-CE2 4.25Å; L1360-F1364 WeakPolarHBondContact O-CD2 3.4Å; L1360-F1364 PolarHBondContact O-N 3.22Å |
| 1361 | V | 73.6 | Confident | 74.4 | Confident | 40 Ų | 40 | 80.8 Ų | 80.8 | 24% | 0.242 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 174.6 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | V1256 L1257 T1357 K1358 H1363 F1364 S1365 | V1256-V1361 HydrophobicContact CG1-CG2 3.58Å; L1257-V1361 HydrophobicContact CD2-CG1 3.8Å; L1257-V1361 HydrophobicContact CD2-CG2 3.84Å; T1357-V1361 WeakPolarHBondContact O-CG2 3.46Å; T1357-V1361 PolarHBondContact O-N 3.02Å; K1358-V1361 PolarHBondContact O-N 2.89Å; V1361-H1363 VanDerWaalsContact C-N 3.33Å; V1361-H1363 PolarHBondContact O-N 3.24Å; V1361-F1364 PolarHBondContact O-N 2.9Å; V1361-S1365 WeakPolarHBondContact O-CB 3.17Å; V1361-S1365 PolarHBondContact O-N 3.11Å |
| 1362 | H | 75.6 | Confident | 73.2 | Confident | 131 Ų | 131 | 77.7 Ų | 77.7 | 61% | 0.606 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -65.7 | -32 | 175.8 | -72.5 | -60.3 | 0 | 0 | 0 | 113.1 | K1358 L1360 P1366 | K1358-H1362 PolarHBondContact O-CD2 2.91Å; K1358-H1362 PolarHBondContact O-N 3.44Å; L1360-H1362 PolarHBondContact O-N 2.9Å; H1362-P1366 WeakPolarHBondContact O-CD 3.09Å |
| 1363 | H | 75.5 | Confident | 72.2 | Confident | 142 Ų | 142 | 76.3 Ų | 76.3 | 66% | 0.657 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -69.9 | -35.6 | 175.8 | -171.8 | -68.2 | 0 | 0 | 0 | 112.5 | N1359 L1360 V1361 | N1359-H1363 VanDerWaalsContact O-CB 3.29Å; N1359-H1363 WeakPolarHBondContact O-CB 3.29Å; N1359-H1363 PolarHBondContact O-N 3.43Å; L1360-H1363 PolarHBondContact O-N 3.32Å; V1361-H1363 VanDerWaalsContact C-N 3.33Å; V1361-H1363 PolarHBondContact O-N 3.24Å |
| 1364 | F | 72 | Confident | 71.6 | Confident | 122 Ų | 122 | 78.8 Ų | 78.8 | 54% | 0.535 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -90 | -18.7 | 177.3 | -67.1 | -63.9 | 0 | 0 | 0 | 113.8 | L1360 V1361 G1367 I1368 | L1360-F1364 HydrophobicContact CD2-CE2 4.25Å; L1360-F1364 WeakPolarHBondContact O-CD2 3.4Å; L1360-F1364 PolarHBondContact O-N 3.22Å; V1361-F1364 PolarHBondContact O-N 2.9Å; F1364-G1367 PolarHBondContact O-N 3.07Å; F1364-G1367 VanDerWaalsContact O-N 3.11Å; F1364-I1368 HydrophobicContact CB-CD1 4.21Å; F1364-I1368 WeakPolarHBondContact O-CG1 3.33Å; F1364-I1368 PolarHBondContact O-N 3.35Å |
| 1365 | S | 73.9 | Confident | 70.8 | Confident | 32 Ų | 32 | 82.8 Ų | 82.8 | 22% | 0.224 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -54.3 | -47 | -179.4 | 161.5 | 0 | 0 | 0 | 0 | 113.6 | V1361 G1367 I1368 H1369 | V1361-S1365 WeakPolarHBondContact O-CB 3.17Å; V1361-S1365 PolarHBondContact O-N 3.11Å; S1365-G1367 PolarHBondContact O-N 3.4Å; S1365-I1368 CarbonylContact O-C 3.6Å; S1365-I1368 WeakPolarHBondContact O-CB 3.3Å; S1365-I1368 PolarHBondContact O-N 3.32Å; S1365-I1368 VanDerWaalsContact O-N 3.15Å; S1365-H1369 PolarHBondContact O-CD2 3.15Å; S1365-H1369 PolarHBondContact O-N 3.32Å; S1365-H1369 PolarHBondContact OG-CD2 3.21Å; S1365-H1369 PolarHBondContact OG-NE2 2.84Å |
| 1366 | P | 72.7 | Confident | 69.9 | Low | 73 Ų | 73 | 86 Ų | 86 | 47% | 0.474 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.4 | -43.6 | 174.1 | -26.4 | 35.1 | 0 | 0 | 0 | 113.1 | H1362 I1368 H1369 N1370 | H1362-P1366 WeakPolarHBondContact O-CD 3.09Å; P1366-I1368 VanDerWaalsContact C-N 3.26Å; P1366-I1368 PolarHBondContact O-N 2.85Å; P1366-H1369 PolarHBondContact O-N 3.06Å; P1366-N1370 PolarHBondContact O-N 2.95Å; P1366-N1370 PolarHBondContact O-OD1 2.91Å |
| 1367 | G | 67.5 | Low | 69.1 | Low | 49 Ų | 49 | 86.9 Ų | 86.9 | 51% | 0.505 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.6 | -30.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | F1364 S1365 L1371 | F1364-G1367 PolarHBondContact O-N 3.07Å; F1364-G1367 VanDerWaalsContact O-N 3.11Å; S1365-G1367 PolarHBondContact O-N 3.4Å; G1367-L1371 VanDerWaalsContact O-CB 3.3Å; G1367-L1371 WeakPolarHBondContact O-CB 3.33Å; G1367-L1371 PolarHBondContact O-N 2.87Å |
| 1368 | I | 61.6 | Low | 68.1 | Low | 40 Ų | 40 | 89.1 Ų | 89.1 | 21% | 0.205 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -72.4 | -42.6 | 172.9 | -72.4 | 162.6 | 0 | 0 | 0 | 110.8 | V1248 L1249 F1364 S1365 P1366 L1371 I1372 | V1248-I1368 HydrophobicContact CB-CG2 4.21Å; V1248-I1368 HydrophobicContact CG1-CB 4.45Å; V1248-I1368 HydrophobicContact CG1-CG2 3.97Å; L1249-I1368 HydrophobicContact CD2-CD1 3.68Å; L1249-I1368 HydrophobicContact CG-CD1 4.19Å; F1364-I1368 HydrophobicContact CB-CD1 4.21Å; F1364-I1368 WeakPolarHBondContact O-CG1 3.33Å; F1364-I1368 PolarHBondContact O-N 3.35Å; S1365-I1368 CarbonylContact O-C 3.6Å; S1365-I1368 WeakPolarHBondContact O-CB 3.3Å; S1365-I1368 PolarHBondContact O-N 3.32Å; S1365-I1368 VanDerWaalsContact O-N 3.15Å; P1366-I1368 VanDerWaalsContact C-N 3.26Å; P1366-I1368 PolarHBondContact O-N 2.85Å; I1368-L1371 PolarHBondContact O-N 3.02Å; I1368-I1372 HydrophobicContact CG2-CD1 4.16Å; I1368-I1372 WeakPolarHBondContact O-CG1 3.33Å; I1368-I1372 PolarHBondContact O-N 3.09Å |
| 1369 | H | 62.9 | Low | 66.9 | Low | 109 Ų | 109 | 89.2 Ų | 89.2 | 51% | 0.505 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.3 | -48.4 | 177.5 | -75.3 | -63.5 | 0 | 0 | 0 | 112 | S1365 P1366 L1371 I1372 E1373 | S1365-H1369 PolarHBondContact O-CD2 3.15Å; S1365-H1369 PolarHBondContact O-N 3.32Å; S1365-H1369 PolarHBondContact OG-CD2 3.21Å; S1365-H1369 PolarHBondContact OG-NE2 2.84Å; P1366-H1369 PolarHBondContact O-N 3.06Å; H1369-L1371 PolarHBondContact O-N 3.17Å; H1369-I1372 WeakPolarHBondContact O-CB 3.15Å; H1369-I1372 PolarHBondContact O-N 2.95Å; H1369-E1373 PolarHBondContact O-N 2.92Å |
| 1370 | N | 67.3 | Low | 65.6 | Low | 95 Ų | 95 | 90 Ų | 90 | 51% | 0.508 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.5 | -33.7 | 174.9 | -69.9 | 40.4 | 0 | 0 | 0 | 112.1 | P1366 E1373 E1374 | P1366-N1370 PolarHBondContact O-N 2.95Å; P1366-N1370 PolarHBondContact O-OD1 2.91Å; N1370-E1373 PolarHBondContact O-N 3.41Å; N1370-E1374 WeakPolarHBondContact O-CB 3.4Å; N1370-E1374 WeakPolarHBondContact O-CG 3.44Å; N1370-E1374 PolarHBondContact O-N 3Å |
| 1371 | L | 64.7 | Low | 64.3 | Low | 78 Ų | 78 | 92.3 Ų | 92.3 | 41% | 0.408 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -82.9 | -19.8 | 178 | -160.5 | 139 | 0 | 0 | 0 | 113.4 | V1248 G1367 I1368 H1369 L1375 | V1248-L1371 HydrophobicContact CG1-CB 4.13Å; V1248-L1371 HydrophobicContact CG1-CD2 3.56Å; V1248-L1371 HydrophobicContact CG1-CG 4.47Å; G1367-L1371 VanDerWaalsContact O-CB 3.3Å; G1367-L1371 WeakPolarHBondContact O-CB 3.33Å; G1367-L1371 PolarHBondContact O-N 2.87Å; I1368-L1371 PolarHBondContact O-N 3.02Å; H1369-L1371 PolarHBondContact O-N 3.17Å; L1371-L1375 HydrophobicContact CD2-CD1 3.78Å; L1371-L1375 HydrophobicContact CD2-CG 4.33Å; L1371-L1375 WeakPolarHBondContact O-CB 3.5Å; L1371-L1375 WeakPolarHBondContact O-CD1 3.44Å; L1371-L1375 WeakPolarHBondContact O-CG 3.3Å; L1371-L1375 PolarHBondContact O-N 2.74Å |
| 1372 | I | 62.1 | Low | 62.7 | Low | 53 Ų | 53 | 94.3 Ų | 94.3 | 27% | 0.272 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.5 | -49.5 | 161.6 | -68.4 | 162 | 0 | 0 | 0 | 108.7 | V1248 I1368 H1369 L1375 E1376 | V1248-I1372 HydrophobicContact CB-CD1 4.48Å; V1248-I1372 HydrophobicContact CB-CG1 3.81Å; V1248-I1372 HydrophobicContact CG1-CG1 4.19Å; V1248-I1372 HydrophobicContact CG2-CB 4.47Å; V1248-I1372 HydrophobicContact CG2-CG1 3.47Å; V1248-I1372 VanDerWaalsContact CG2-CG1 3.47Å; I1368-I1372 HydrophobicContact CG2-CD1 4.16Å; I1368-I1372 WeakPolarHBondContact O-CG1 3.33Å; I1368-I1372 PolarHBondContact O-N 3.09Å; H1369-I1372 WeakPolarHBondContact O-CB 3.15Å; H1369-I1372 PolarHBondContact O-N 2.95Å; I1372-L1375 PolarHBondContact O-N 2.95Å; I1372-L1375 VanDerWaalsContact O-N 3.09Å; I1372-E1376 HydrophobicContact CG2-CG 4.26Å; I1372-E1376 WeakPolarHBondContact O-CG 3.36Å; I1372-E1376 PolarHBondContact O-N 3.34Å |
| 1373 | E | 65.2 | Low | 60.9 | Low | 124 Ų | 124 | 93.9 Ų | 93.9 | 58% | 0.579 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61 | -48.4 | -177.4 | -157.7 | 165.1 | -143.6 | 0 | 0 | 111.5 | H1369 N1370 L1375 E1376 D1377 | H1369-E1373 PolarHBondContact O-N 2.92Å; N1370-E1373 PolarHBondContact O-N 3.41Å; E1373-L1375 VanDerWaalsContact C-N 3.29Å; E1373-L1375 PolarHBondContact O-N 3.27Å; E1373-E1376 PolarHBondContact O-N 3.11Å; E1373-D1377 WeakPolarHBondContact O-CB 3.47Å; E1373-D1377 PolarHBondContact O-N 3.44Å |
| 1374 | E | 67.8 | Low | 59.3 | Low | 138 Ų | 138 | 96.3 Ų | 96.3 | 65% | 0.645 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58.1 | -36.5 | 172.1 | -77.6 | -174.9 | 173.4 | 0 | 0 | 113 | N1370 S1378 | N1370-E1374 WeakPolarHBondContact O-CB 3.4Å; N1370-E1374 WeakPolarHBondContact O-CG 3.44Å; N1370-E1374 PolarHBondContact O-N 3Å; E1374-S1378 VanDerWaalsContact O-CB 3.3Å; E1374-S1378 WeakPolarHBondContact O-CB 3.49Å; E1374-S1378 PolarHBondContact O-N 2.98Å |
| 1375 | L | 62.9 | Low | 57.4 | Low | 91 Ų | 91 | 95.5 Ų | 95.5 | 48% | 0.476 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -74.2 | -42 | 178.7 | -77.6 | 172.8 | 0 | 0 | 0 | 112 | V1248 L1371 I1372 E1373 S1378 S1379 | V1248-L1375 HydrophobicContact CG2-CD1 3.97Å; L1371-L1375 HydrophobicContact CD2-CD1 3.78Å; L1371-L1375 HydrophobicContact CD2-CG 4.33Å; L1371-L1375 WeakPolarHBondContact O-CB 3.5Å; L1371-L1375 WeakPolarHBondContact O-CD1 3.44Å; L1371-L1375 WeakPolarHBondContact O-CG 3.3Å; L1371-L1375 PolarHBondContact O-N 2.74Å; I1372-L1375 PolarHBondContact O-N 2.95Å; I1372-L1375 VanDerWaalsContact O-N 3.09Å; E1373-L1375 VanDerWaalsContact C-N 3.29Å; E1373-L1375 PolarHBondContact O-N 3.27Å; L1375-S1378 PolarHBondContact O-N 3.43Å; L1375-S1378 PolarHBondContact O-OG 3.4Å; L1375-S1379 PolarHBondContact O-N 3.47Å; L1375-S1379 VanDerWaalsContact O-N 3.11Å |
| 1376 | E | 63.6 | Low | 55.6 | Low | 121 Ų | 121 | 102.3 Ų | 102.3 | 57% | 0.565 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.5 | -44.9 | 177.3 | -71.4 | -177.8 | 178.4 | 0 | 0 | 110.8 | I1372 E1373 S1378 S1379 N1380 | I1372-E1376 HydrophobicContact CG2-CG 4.26Å; I1372-E1376 WeakPolarHBondContact O-CG 3.36Å; I1372-E1376 PolarHBondContact O-N 3.34Å; E1373-E1376 PolarHBondContact O-N 3.11Å; E1376-S1378 VanDerWaalsContact C-N 3.33Å; E1376-S1378 PolarHBondContact O-N 2.88Å; E1376-S1379 WeakPolarHBondContact O-CB 3.28Å; E1376-S1379 PolarHBondContact O-N 3.32Å; E1376-S1379 VanDerWaalsContact O-N 3.14Å; E1376-S1379 PolarHBondContact O-OG 3.31Å; E1376-N1380 PolarHBondContact O-N 3.11Å; E1376-N1380 PolarHBondContact O-ND2 3.31Å; E1376-N1380 VanDerWaalsContact O-ND2 3.15Å |
| 1377 | D | 61.1 | Low | 53.7 | Low | 102 Ų | 102 | 103.1 Ų | 103.1 | 55% | 0.545 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.3 | -36.2 | 172.9 | -88 | -14.3 | 0 | 0 | 0 | 112.9 | E1373 S1379 N1381 | E1373-D1377 WeakPolarHBondContact O-CB 3.47Å; E1373-D1377 PolarHBondContact O-N 3.44Å; D1377-S1379 VanDerWaalsContact C-N 3.29Å; D1377-S1379 PolarHBondContact O-N 3.05Å; D1377-N1381 PolarHBondContact O-ND2 2.86Å |
| 1378 | S | 53.2 | Low | 52 | Low | 66 Ų | 66 | 106.8 Ų | 106.8 | 46% | 0.462 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.3 | -35.4 | 175 | 81.4 | 0 | 0 | 0 | 0 | 112.4 | E1374 L1375 E1376 N1381 | E1374-S1378 VanDerWaalsContact O-CB 3.3Å; E1374-S1378 WeakPolarHBondContact O-CB 3.49Å; E1374-S1378 PolarHBondContact O-N 2.98Å; L1375-S1378 PolarHBondContact O-N 3.43Å; L1375-S1378 PolarHBondContact O-OG 3.4Å; E1376-S1378 VanDerWaalsContact C-N 3.33Å; E1376-S1378 PolarHBondContact O-N 2.88Å; S1378-N1381 PolarHBondContact O-N 2.72Å |
| 1379 | S | 49.8 | Very low | 50.4 | Low | 76 Ų | 76 | 109.6 Ų | 109.6 | 53% | 0.531 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -69.8 | -34 | -177.3 | 79 | 0 | 0 | 0 | 0 | 112.9 | L1375 E1376 D1377 N1381 | L1375-S1379 PolarHBondContact O-N 3.47Å; L1375-S1379 VanDerWaalsContact O-N 3.11Å; E1376-S1379 WeakPolarHBondContact O-CB 3.28Å; E1376-S1379 PolarHBondContact O-N 3.32Å; E1376-S1379 VanDerWaalsContact O-N 3.14Å; E1376-S1379 PolarHBondContact O-OG 3.31Å; D1377-S1379 VanDerWaalsContact C-N 3.29Å; D1377-S1379 PolarHBondContact O-N 3.05Å; S1379-N1381 VanDerWaalsContact C-N 3.28Å; S1379-N1381 PolarHBondContact O-N 2.93Å |
| 1380 | N | 51.1 | Low | 48.9 | Very low | 125 Ų | 125 | 110 Ų | 110 | 67% | 0.668 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -76.2 | -14.4 | -178.2 | -69.9 | -45.9 | 0 | 0 | 0 | 113.5 | E1376 | E1376-N1380 PolarHBondContact O-N 3.11Å; E1376-N1380 PolarHBondContact O-ND2 3.31Å; E1376-N1380 VanDerWaalsContact O-ND2 3.15Å |
| 1381 | N | 46.5 | Very low | 47.3 | Very low | 132 Ų | 132 | 110.2 Ų | 110.2 | 71% | 0.706 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.5 | 0 | -171.9 | -72.5 | -72.1 | 0 | 0 | 0 | 114.8 | D1377 S1378 S1379 | D1377-N1381 PolarHBondContact O-ND2 2.86Å; S1378-N1381 PolarHBondContact O-N 2.72Å; S1379-N1381 VanDerWaalsContact C-N 3.28Å; S1379-N1381 PolarHBondContact O-N 2.93Å |
| 1382 | S | 40.7 | Very low | 45.9 | Very low | 82 Ų | 82 | 115.4 Ų | 115.4 | 57% | 0.573 | 66% | 0.659 | S | S | * | * | | | trans | -108.7 | 39 | -170 | 75.4 | 0 | 0 | 0 | 0 | 115.4 | K1384 | S1382-K1384 PolarHBondContact O-N 3.37Š|
| 1383 | S | 37.3 | Very low | 44.4 | Very low | 121 Ų | 121 | 118.1 Ų | 118.1 | 85% | 0.846 | 68% | 0.678 | S | S | * | * | | | trans | -74.3 | 40.1 | 179.5 | 51.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1384 | K | 41.8 | Very low | 42.8 | Very low | 193 Ų | 193 | 119.8 Ų | 119.8 | 84% | 0.839 | 69% | 0.691 | S | S | * | * | | | trans | -104.4 | 114.5 | 171.7 | -77 | -178.6 | 177.3 | 173.4 | 0 | 110.6 | S1382 L1386 | S1382-K1384 PolarHBondContact O-N 3.37Å; K1384-L1386 PolarHBondContact O-N 2.69Å; K1384-L1386 VanDerWaalsContact O-N 3.17Å |
| 1385 | S | 32.6 | Very low | 41.1 | Very low | 106 Ų | 106 | 120.3 Ų | 120.3 | 74% | 0.741 | 70% | 0.698 | S | S | * | * | | | trans | -67.8 | 106.8 | -175.4 | 45.1 | 0 | 0 | 0 | 0 | 113.3 | S1387 | S1385-S1387 PolarHBondContact O-N 3.4Š|
| 1386 | L | 36.1 | Very low | 39.8 | Very low | 175 Ų | 175 | 124.1 Ų | 124.1 | 92% | 0.916 | 72% | 0.718 | S | S | * | * | | | trans | -81.1 | 60.2 | 167.3 | -71.8 | 173.3 | 0 | 0 | 0 | 111.4 | K1384 P1388 | K1384-L1386 PolarHBondContact O-N 2.69Å; K1384-L1386 VanDerWaalsContact O-N 3.17Å; L1386-P1388 WeakPolarHBondContact O-CD 3.25Å |
| 1387 | S | 31.3 | Very low | 38.3 | Very low | 90 Ų | 90 | 122.9 Ų | 122.9 | 63% | 0.629 | 72% | 0.723 | S | S | * | * | | | trans | -73 | 122 | 170.2 | -61.8 | 0 | 0 | 0 | 0 | 109.8 | S1385 S1389 | S1385-S1387 PolarHBondContact O-N 3.4Å; S1387-S1389 VanDerWaalsContact C-N 3.35Å; S1387-S1389 PolarHBondContact O-N 3.43Å |
| 1388 | P | 31.6 | Very low | 37 | Very low | 125 Ų | 125 | 125.4 Ų | 125.4 | 81% | 0.812 | 74% | 0.736 | S | S | * | * | | | trans | -75 | 83.8 | -179.2 | 30.3 | -34.8 | 0 | 0 | 0 | 111.2 | L1386 S1390 | L1386-P1388 WeakPolarHBondContact O-CD 3.25Å; P1388-S1390 PolarHBondContact O-N 3.14Å |
| 1389 | S | 29.9 | Very low | 36.2 | Very low | 99 Ų | 99 | 128.5 Ų | 128.5 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | | | trans | -70.9 | 96.8 | 179.4 | -173.6 | 0 | 0 | 0 | 0 | 111.8 | S1387 S1391 | S1387-S1389 VanDerWaalsContact C-N 3.35Å; S1387-S1389 PolarHBondContact O-N 3.43Å; S1389-S1391 PolarHBondContact O-N 3.45Å; S1389-S1391 PolarHBondContact OG-OG 3.15Å |
| 1390 | S | 29.5 | Very low | 35.3 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | | | trans | -78.6 | 60.8 | 172.4 | 51.9 | 0 | 0 | 0 | 0 | 112.2 | P1388 | P1388-S1390 PolarHBondContact O-N 3.14Š|
| 1391 | S | 34.4 | Very low | 34.2 | Very low | 100 Ų | 100 | 128.7 Ų | 128.7 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | | | trans | -81.1 | 128.8 | 174.8 | 33.7 | 0 | 0 | 0 | 0 | 112 | S1389 | S1389-S1391 PolarHBondContact O-N 3.45Å; S1389-S1391 PolarHBondContact OG-OG 3.15Å |
| 1392 | K | 34.9 | Very low | 33.5 | Very low | 186 Ų | 186 | 128 Ų | 128 | 81% | 0.809 | 77% | 0.765 | S | S | * | * | | | trans | -84.5 | 162.8 | -172.8 | -69.5 | 174.2 | 175.3 | 173.3 | 0 | 113.3 | | |
| 1393 | T | 31.4 | Very low | 32.8 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 68% | 0.675 | 77% | 0.773 | S | S | * | * | | | trans | 57.2 | 123.3 | 151.9 | 44.7 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1394 | N | 31.1 | Very low | 32.6 | Very low | 159 Ų | 159 | 129.9 Ų | 129.9 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | | | | -127.2 | 152.4 | 60.4 | -81.2 | -34.4 | 0 | 0 | 0 | 115.1 | | |
| 1395 | L | 32.2 | Very low | 32 | Very low | 150 Ų | 150 | 126.3 Ų | 126.3 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | | | trans | -89.7 | 135.1 | 157.5 | -75.6 | 75.7 | 0 | 0 | 0 | 107.3 | | |
| 1396 | D | 35 | Very low | 31.9 | Very low | 171 Ų | 171 | 129.4 Ų | 129.4 | 91% | 0.914 | 77% | 0.771 | S | S | * | * | | | trans | -132.9 | 133 | 140.1 | -107.8 | -46.1 | 0 | 0 | 0 | 108 | | |
| 1397 | S | 32 | Very low | 31.6 | Very low | 94 Ų | 94 | 131.8 Ų | 131.8 | 66% | 0.657 | 77% | 0.768 | S | S | * | * | | | trans | -98 | 137.1 | -165.8 | 52.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1398 | N | 34 | Very low | 31.4 | Very low | 155 Ų | 155 | 138.7 Ų | 138.7 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | | | trans | -173.7 | 164.3 | 134.7 | -97.9 | -47.8 | 0 | 0 | 0 | 112.9 | | |
| 1399 | T | 36.4 | Very low | 31.2 | Very low | 131 Ų | 131 | 139 Ų | 139 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | 67.1 | 78.8 | 172.1 | 57 | 0 | 0 | 0 | 0 | 119.3 | | |
| 1400 | S | 32 | Very low | 31.4 | Very low | 105 Ų | 105 | 139 Ų | 139 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | | 56.4 | 133.3 | 122.9 | -170.3 | 0 | 0 | 0 | 0 | 122.5 | | |
| 1401 | S | 28.4 | Very low | 31.2 | Very low | 100 Ų | 100 | 145.1 Ų | 145.1 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | | | trans | 61.8 | 132.2 | 150.7 | 49.3 | 0 | 0 | 0 | 0 | 118.6 | | |
| 1402 | T | 29.9 | Very low | 31.2 | Very low | 119 Ų | 119 | 151.4 Ų | 151.4 | 73% | 0.73 | 80% | 0.799 | S | S | * | * | | | cis | -159.2 | 150.2 | 2.9 | 8.5 | 0 | 0 | 0 | 0 | 109 | V1404 | T1402-V1404 PolarHBondContact O-N 2.92Š|
| 1403 | P | 27.7 | Very low | 30.9 | Very low | 114 Ų | 114 | 152.3 Ų | 152.3 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | | | trans | -76 | 113.4 | -177.3 | 29.9 | -34 | 0 | 0 | 0 | 112.6 | T1405 | P1403-T1405 PolarHBondContact O-N 3.08Å; P1403-T1405 VanDerWaalsContact O-N 3.12Å |
| 1404 | V | 31.6 | Very low | 31.1 | Very low | 128 Ų | 128 | 153.1 Ų | 153.1 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | | | trans | -79.6 | 94.1 | 175 | -178.4 | 0 | 0 | 0 | 0 | 110.1 | T1402 L1406 | T1402-V1404 PolarHBondContact O-N 2.92Å; V1404-L1406 PolarHBondContact O-N 3.1Å |
| 1405 | T | 29.4 | Very low | 31.2 | Very low | 118 Ų | 118 | 151.6 Ų | 151.6 | 72% | 0.724 | 81% | 0.807 | S | S | * | * | | | trans | -73.3 | 102.9 | 171.2 | 48.3 | 0 | 0 | 0 | 0 | 110.7 | P1403 R1407 | P1403-T1405 PolarHBondContact O-N 3.08Å; P1403-T1405 VanDerWaalsContact O-N 3.12Å; T1405-R1407 PolarHBondContact O-N 2.84Å |
| 1406 | L | 31.2 | Very low | 31.3 | Very low | 170 Ų | 170 | 153.6 Ų | 153.6 | 89% | 0.89 | 81% | 0.812 | S | S | * | * | | | trans | -73.4 | 74.8 | 167.5 | -74.5 | 178.7 | 0 | 0 | 0 | 110.6 | V1404 R1408 | V1404-L1406 PolarHBondContact O-N 3.1Å; L1406-R1408 PolarHBondContact O-N 3.08Å |
| 1407 | R | 28.9 | Very low | 31.1 | Very low | 226 Ų | 226 | 150.9 Ų | 150.9 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | | | trans | -62.5 | 126.7 | 179.5 | -175.2 | 176.6 | -174.6 | 151.8 | 1.1 | 110.7 | T1405 S1409 | T1405-R1407 PolarHBondContact O-N 2.84Å; R1407-S1409 PolarHBondContact O-N 3.17Å |
| 1408 | R | 28.5 | Very low | 31.2 | Very low | 234 Ų | 234 | 151.9 Ų | 151.9 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | | | trans | -43.5 | 130.3 | 174.2 | -70.6 | -178.6 | 172.4 | -169.7 | -3.8 | 111.4 | L1406 S1410 | L1406-R1408 PolarHBondContact O-N 3.08Å; R1408-S1410 PolarHBondContact O-N 2.87Å |
| 1409 | S | 27.7 | Very low | 31 | Very low | 131 Ų | 131 | 150.4 Ų | 150.4 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | | | trans | -71.6 | 70.7 | -180 | -171.7 | 0 | 0 | 0 | 0 | 112.5 | R1407 | R1407-S1409 PolarHBondContact O-N 3.17Š|
| 1410 | S | 32.2 | Very low | 30.8 | Very low | 100 Ų | 100 | 150.4 Ų | 150.4 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | | | trans | -90.4 | 134.1 | 169.8 | -170 | 0 | 0 | 0 | 0 | 109.9 | R1408 R1412 | R1408-S1410 PolarHBondContact O-N 2.87Å; S1410-R1412 PolarHBondContact O-N 3.41Å |
| 1411 | R | 26.3 | Very low | 30.5 | Very low | 247 Ų | 247 | 155.9 Ų | 155.9 | 93% | 0.932 | 80% | 0.796 | S | S | * | * | | | trans | -68.9 | 92.5 | -170.7 | -61.3 | -179 | -175.5 | -176.5 | 2.6 | 112.4 | | |
| 1412 | R | 34.7 | Very low | 30.8 | Very low | 231 Ų | 231 | 160.1 Ų | 160.1 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | | | trans | -139.7 | 131.3 | 164.1 | -67.4 | -166.2 | 179.3 | -162.2 | -0.2 | 112.2 | S1410 | S1410-R1412 PolarHBondContact O-N 3.41Š|
| 1413 | F | 27.2 | Very low | 30.8 | Very low | 206 Ų | 206 | 160 Ų | 160 | 90% | 0.904 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 143.9 | 173 | -67.6 | -98.8 | 0 | 0 | 0 | 111.2 | | |
| 1414 | P | 36.1 | Very low | 30.7 | Very low | 126 Ų | 126 | 164.4 Ų | 164.4 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 130.5 | 149.1 | -2.5 | 22.8 | 0 | 0 | 0 | 110 | | |
| 1415 | T | 34 | Very low | 30.6 | Very low | 127 Ų | 127 | 169.9 Ų | 169.9 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 118.2 | 176 | 47 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1416 | H | 34.6 | Very low | 30.5 | Very low | 192 Ų | 192 | 173.7 Ų | 173.7 | 89% | 0.889 | 81% | 0.814 | S | S | * | * | | | trans | -155.5 | 134.9 | 139.6 | -122.7 | -80.8 | 0 | 0 | 0 | 112 | | |
| 1417 | N | 29.6 | Very low | 30.5 | Very low | 115 Ų | 115 | 172.5 Ų | 172.5 | 62% | 0.615 | 81% | 0.808 | S | S | * | * | | | trans | -103.8 | 157.1 | 170.7 | -134.1 | -41.1 | 0 | 0 | 0 | 107.2 | I1419 | N1417-I1419 PolarHBondContact OD1-N 2.67Å; N1417-I1419 VanDerWaalsContact OD1-N 3.12Å |
| 1418 | P | 34.8 | Very low | 30.7 | Very low | 115 Ų | 115 | 168.5 Ų | 168.5 | 75% | 0.747 | 80% | 0.804 | S | S | * | * | | | | -140.9 | 147.1 | 84 | 37.4 | -23 | 0 | 0 | 0 | 116.4 | V1420 | P1418-V1420 PolarHBondContact O-N 2.73Š|
| 1419 | I | 29.1 | Very low | 30.7 | Very low | 123 Ų | 123 | 163.6 Ų | 163.6 | 63% | 0.631 | 80% | 0.8 | S | S | * | * | | | trans | -63.2 | 116.6 | 168.5 | -63.3 | 158.6 | 0 | 0 | 0 | 110.1 | N1417 R1421 | N1417-I1419 PolarHBondContact OD1-N 2.67Å; N1417-I1419 VanDerWaalsContact OD1-N 3.12Å; I1419-R1421 HydrophobicContact CG2-CG 3.77Å |
| 1420 | V | 32.7 | Very low | 30.9 | Very low | 131 Ų | 131 | 161.7 Ų | 161.7 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | | | trans | -101.6 | 94.6 | 157.3 | -178.6 | 0 | 0 | 0 | 0 | 109.2 | P1418 Q1422 | P1418-V1420 PolarHBondContact O-N 2.73Å; V1420-Q1422 PolarHBondContact O-N 3.46Å; V1420-Q1422 VanDerWaalsContact O-N 3.1Å |
| 1421 | R | 26.9 | Very low | 30.8 | Very low | 220 Ų | 220 | 164.1 Ų | 164.1 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | | | trans | -71.5 | 91.6 | 165.1 | -79.3 | 170.6 | 172.3 | 160.4 | -3.9 | 109 | I1419 V1423 | I1419-R1421 HydrophobicContact CG2-CG 3.77Å; R1421-V1423 PolarHBondContact O-N 3.48Å |
| 1422 | Q | 32.8 | Very low | 31.2 | Very low | 189 Ų | 189 | 158.6 Ų | 158.6 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | | | trans | -81.1 | 114 | 164.1 | -153 | 171.9 | 29 | 0 | 0 | 110.5 | V1420 | V1420-Q1422 PolarHBondContact O-N 3.46Å; V1420-Q1422 VanDerWaalsContact O-N 3.1Å |
| 1423 | V | 30.1 | Very low | 31.1 | Very low | 118 Ų | 118 | 159 Ų | 159 | 72% | 0.715 | 79% | 0.791 | S | S | * | * | | | trans | -68.7 | 138 | -171.3 | 174.3 | 0 | 0 | 0 | 0 | 111.7 | R1421 R1425 | R1421-V1423 PolarHBondContact O-N 3.48Å; V1423-R1425 PolarHBondContact O-N 2.98Å |
| 1424 | R | 25.7 | Very low | 31.3 | Very low | 206 Ų | 206 | 152.6 Ų | 152.6 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | | | trans | -58.4 | 93 | 173 | -174.8 | -173.6 | -162 | 149.9 | 7.6 | 112.1 | R1426 | R1424-R1426 PolarHBondContact O-N 3.21Š|
| 1425 | R | 31.2 | Very low | 31.3 | Very low | 243 Ų | 243 | 151.9 Ų | 151.9 | 92% | 0.917 | 78% | 0.781 | S | S | * | * | | | trans | -79.6 | 106.9 | 163.3 | -76.4 | -166.1 | 173.6 | -160.5 | -0.8 | 110.2 | V1423 | V1423-R1425 PolarHBondContact O-N 2.98Š|
| 1426 | R | 26.2 | Very low | 31.3 | Very low | 198 Ų | 198 | 155.4 Ų | 155.4 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | | | trans | -78.3 | 132.2 | 150.4 | -79.4 | 177.2 | 165.6 | 142.8 | -8.1 | 107.7 | R1424 | R1424-R1426 PolarHBondContact O-N 3.21Š|
| 1427 | N | 31.8 | Very low | 31.2 | Very low | 144 Ų | 144 | 151 Ų | 151 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | | | trans | 176.6 | 121.1 | 148.3 | -89.6 | -8.6 | 0 | 0 | 0 | 105.8 | | |
| 1428 | N | 32.4 | Very low | 31.5 | Very low | 143 Ų | 143 | 152.6 Ų | 152.6 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | | | | 79.4 | 91.7 | 70.1 | -71.8 | 16.6 | 0 | 0 | 0 | 112.9 | | |
| 1429 | V | 28.1 | Very low | 31.6 | Very low | 131 Ų | 131 | 152.4 Ų | 152.4 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | | | trans | 29.6 | 103.8 | 139.9 | -169.7 | 0 | 0 | 0 | 0 | 118.9 | I1431 | V1429-I1431 HydrophobicContact CG1-CD1 3.92Å; V1429-I1431 HydrophobicContact CG1-CG1 4.25Å |
| 1430 | A | 33.1 | Very low | 32 | Very low | 90 Ų | 90 | 151.2 Ų | 151.2 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | | | trans | -159.7 | 134.2 | 140 | 0 | 0 | 0 | 0 | 0 | 105.4 | | |
| 1431 | I | 28.8 | Very low | 32.1 | Very low | 151 Ų | 151 | 151.8 Ų | 151.8 | 77% | 0.774 | 78% | 0.781 | S | S | * | * | | | cis | 71.9 | 60.6 | 24.7 | -39.7 | -176.1 | 0 | 0 | 0 | 114.5 | V1429 | V1429-I1431 HydrophobicContact CG1-CD1 3.92Å; V1429-I1431 HydrophobicContact CG1-CG1 4.25Å |
| 1432 | T | 34.8 | Very low | 32.5 | Very low | 132 Ų | 132 | 147.7 Ų | 147.7 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | | | trans | -164.4 | 154.7 | 145.2 | 26.4 | 0 | 0 | 0 | 0 | 107.8 | | |
| 1433 | R | 34.2 | Very low | 32.8 | Very low | 238 Ų | 238 | 146.5 Ų | 146.5 | 90% | 0.898 | 77% | 0.766 | S | S | * | * | | | cis | 149.4 | 112.8 | -18.1 | 178.4 | -174.7 | -160 | -165.2 | 7.8 | 105.3 | | |
| 1434 | G | 30.6 | Very low | 33.1 | Very low | 72 Ų | 72 | 147.5 Ų | 147.5 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | | | trans | 77.6 | 161.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1435 | S | 35.1 | Very low | 33.4 | Very low | 111 Ų | 111 | 142.8 Ų | 142.8 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | | | cis | -148.7 | 142.4 | -0 | -76.9 | 0 | 0 | 0 | 0 | 107.8 | | |
| 1436 | K | 34.9 | Very low | 33.7 | Very low | 202 Ų | 202 | 135.9 Ų | 135.9 | 88% | 0.878 | 75% | 0.753 | S | S | * | * | | | | 47.7 | 132.9 | 86.3 | -78.3 | -171.6 | -179.2 | -173.6 | 0 | 113.3 | | |
| 1437 | S | 32.3 | Very low | 34 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | | | cis | -171 | -167.5 | 2.2 | -172.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1438 | L | 35.3 | Very low | 34.1 | Very low | 148 Ų | 148 | 132.2 Ų | 132.2 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | | | trans | 83.4 | 133.7 | 159.6 | -48.1 | -179.4 | 0 | 0 | 0 | 116.4 | | |
| 1439 | T | 36.7 | Very low | 33.9 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 69% | 0.687 | 76% | 0.763 | S | S | * | * | | | cis | -156.8 | 162.3 | -3.2 | -6.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1440 | S | 37.9 | Very low | 34.3 | Very low | 98 Ų | 98 | 135.5 Ų | 135.5 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | | | trans | 65.3 | 138.8 | 144.2 | 60.7 | 0 | 0 | 0 | 0 | 120.8 | | |
| 1441 | L | 34.9 | Very low | 34.1 | Very low | 142 Ų | 142 | 133.7 Ų | 133.7 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | | | cis | -166.9 | 145.9 | -7.7 | -136.6 | 57.9 | 0 | 0 | 0 | 110.2 | | |
| 1442 | I | 36.3 | Very low | 34.3 | Very low | 135 Ų | 135 | 133.4 Ų | 133.4 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | | | trans | 61.7 | 145.7 | 146.1 | -74.8 | 167.5 | 0 | 0 | 0 | 119.4 | | |
| 1443 | K | 38.5 | Very low | 34.1 | Very low | 163 Ų | 163 | 131.8 Ų | 131.8 | 71% | 0.709 | 75% | 0.751 | S | S | * | * | | | cis | -167.2 | 151.4 | -23.4 | -103.9 | 175.4 | -173.8 | 175.5 | 0 | 108.6 | | |
| 1444 | N | 35.7 | Very low | 34 | Very low | 139 Ų | 139 | 125.1 Ų | 125.1 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | | | trans | 52.7 | 138.3 | 147.5 | -50.7 | 0.1 | 0 | 0 | 0 | 120.5 | | |
| 1445 | S | 32.1 | Very low | 34.2 | Very low | 107 Ų | 107 | 131.1 Ų | 131.1 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | | | cis | 79 | 140.4 | 28.2 | -165.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1446 | P | 37.8 | Very low | 34.1 | Very low | 99 Ų | 99 | 128.9 Ų | 128.9 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | | | cis | -142.6 | -175.6 | -19.3 | 38.2 | -18.3 | 0 | 0 | 0 | 116.7 | | |
| 1447 | N | 31.9 | Very low | 34.1 | Very low | 149 Ų | 149 | 126.6 Ų | 126.6 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | | | trans | 72.4 | 157.1 | 144.1 | -74.7 | -3.1 | 0 | 0 | 0 | 124.3 | | |
| 1448 | S | 35.7 | Very low | 34.2 | Very low | 115 Ų | 115 | 128.4 Ų | 128.4 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | | | trans | 95.9 | 118.9 | 152.7 | -57.7 | 0 | 0 | 0 | 0 | 120.8 | | |
| 1449 | Y | 27.4 | Very low | 34.1 | Very low | 227 Ų | 227 | 126.2 Ų | 126.2 | 89% | 0.89 | 74% | 0.738 | S | S | * | * | | | trans | -68.7 | 148.6 | 151.3 | -78.4 | -92.9 | 0 | 0 | 0 | 109.5 | | |
| 1450 | P | 36.1 | Very low | 34.1 | Very low | 117 Ų | 117 | 128.3 Ų | 128.3 | 76% | 0.76 | 75% | 0.745 | S | S | * | * | | | | -135.8 | -172.9 | 79.9 | 42.3 | -28.2 | 0 | 0 | 0 | 111.4 | | |
| 1451 | G | 29.6 | Very low | 34 | Very low | 52 Ų | 52 | 127.2 Ų | 127.2 | 54% | 0.536 | 75% | 0.749 | S | S | . | * | | | cis | 104.6 | 113.3 | 6.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1452 | T | 32.8 | Very low | 34 | Very low | 145 Ų | 145 | 124 Ų | 124 | 89% | 0.89 | 75% | 0.751 | S | S | * | * | | | trans | 65 | 152.2 | 178.6 | 67.8 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1453 | S | 30.8 | Very low | 34 | Very low | 97 Ų | 97 | 123.9 Ų | 123.9 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | | | cis | -168.1 | 164.6 | -17.7 | 46 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1454 | S | 31.9 | Very low | 33.8 | Very low | 99 Ų | 99 | 120.3 Ų | 120.3 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | | | trans | 76 | 148.7 | 146.6 | 74.6 | 0 | 0 | 0 | 0 | 121.8 | | |
| 1455 | Q | 35.5 | Very low | 33.8 | Very low | 197 Ų | 197 | 121.2 Ų | 121.2 | 92% | 0.921 | 76% | 0.757 | S | S | * | * | | | trans | 65.4 | 132.3 | 168.7 | -54.9 | -174.7 | 2.5 | 0 | 0 | 116.9 | | |
| 1456 | G | 33.1 | Very low | 33.6 | Very low | 64 Ų | 64 | 126.5 Ų | 126.5 | 66% | 0.66 | 76% | 0.762 | S | S | * | * | | | cis | 162.4 | 158.7 | -10.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1457 | N | 34.7 | Very low | 33.3 | Very low | 155 Ų | 155 | 127 Ų | 127 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | | | trans | 71.4 | 147.5 | 162.3 | -63.4 | -5.5 | 0 | 0 | 0 | 118 | | |
| 1458 | I | 33 | Very low | 33.2 | Very low | 136 Ų | 136 | 126.7 Ų | 126.7 | 70% | 0.697 | 77% | 0.771 | S | S | * | * | | | cis | -164.8 | 151.8 | -15.4 | -117.8 | 165.2 | 0 | 0 | 0 | 109.7 | | |
| 1459 | C | 33.6 | Very low | 33.1 | Very low | 102 Ų | 102 | 126.8 Ų | 126.8 | 69% | 0.689 | 77% | 0.766 | S | S | * | * | | | trans | 60.6 | 155.9 | 169 | -71.4 | 0 | 0 | 0 | 0 | 118.3 | | |
| 1460 | N | 37.6 | Very low | 33.6 | Very low | 157 Ų | 157 | 130.9 Ų | 130.9 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | | | cis | -161.6 | 151.1 | -18.4 | -94.9 | -16.9 | 0 | 0 | 0 | 106.7 | | |
| 1461 | G | 35.9 | Very low | 33.5 | Very low | 75 Ų | 75 | 131.6 Ų | 131.6 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | cis | 166.8 | 135 | -10.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1462 | G | 34.7 | Very low | 33.7 | Very low | 75 Ų | 75 | 135.7 Ų | 135.7 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | trans | 78.3 | 151.9 | 161.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 1463 | T | 35.9 | Very low | 33.7 | Very low | 132 Ų | 132 | 135.2 Ų | 135.2 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | | | cis | -156.7 | 140.3 | -12.5 | 42.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1464 | S | 33.7 | Very low | 33.9 | Very low | 88 Ų | 88 | 137.5 Ų | 137.5 | 62% | 0.615 | 80% | 0.795 | S | S | * | * | | | trans | 31.7 | 128 | 148.6 | 63.3 | 0 | 0 | 0 | 0 | 120.3 | | |
| 1465 | N | 35.8 | Very low | 34 | Very low | 158 Ų | 158 | 139.9 Ų | 139.9 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | | | | -161.6 | 157.8 | 71.8 | -95.7 | -52.6 | 0 | 0 | 0 | 114.6 | | |
| 1466 | Y | 28.9 | Very low | 34 | Very low | 217 Ų | 217 | 136.1 Ų | 136.1 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | | | trans | -91.7 | 149.3 | 176.5 | -82.2 | -111.9 | 0 | 0 | 0 | 112.4 | | |
| 1467 | S | 31.5 | Very low | 34 | Very low | 109 Ų | 109 | 141.2 Ų | 141.2 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | | | trans | -164.4 | 100.2 | 134.1 | 40.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1468 | V | 28.2 | Very low | 34 | Very low | 143 Ų | 143 | 140.2 Ų | 140.2 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | | | trans | -84.1 | 125 | 155.6 | 174 | 0 | 0 | 0 | 0 | 106.8 | | |
| 1469 | V | 33.9 | Very low | 34 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 72% | 0.715 | 81% | 0.81 | S | S | * | * | | | trans | -133.2 | 110.9 | 175 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1470 | R | 39 | Very low | 34.1 | Very low | 312 Ų | 312 | 144 Ų | 144 | 100% | 1.177 | 82% | 0.821 | S | S | * | * | | | trans | 38.6 | 0 | 160.3 | -63.4 | -177.8 | 179.4 | 166.4 | 0.4 | 116.9 | | |