| 1 | M | 45.3 | Very low | 40.7 | Very low | 233 Ų | 233 | 149.6 Ų | 149.6 | 100% | 1.148 | 84% | 0.84 | S | S | * | * | | | | 0 | 96.5 | 0 | -109.6 | -164.6 | 176.2 | 0 | 0 | 106.4 | | |
| 2 | D | 38.5 | Very low | 40.6 | Very low | 144 Ų | 144 | 155.9 Ų | 155.9 | 77% | 0.77 | 84% | 0.841 | S | S | * | * | | | trans | -123.4 | 122.3 | -148 | -38.3 | -47.2 | 0 | 0 | 0 | 109.4 | | |
| 3 | Y | 42.3 | Very low | 40.5 | Very low | 234 Ų | 234 | 159.8 Ų | 159.8 | 92% | 0.918 | 85% | 0.846 | S | S | * | * | | | trans | -144.3 | 79.7 | -179.2 | -101.9 | -76.9 | 0 | 0 | 0 | 111.5 | G5 | Y3-G5 PolarHBondContact O-N 2.59Š|
| 4 | D | 40.7 | Very low | 40.1 | Very low | 162 Ų | 162 | 161.8 Ų | 161.8 | 87% | 0.866 | 84% | 0.844 | S | S | * | * | | | trans | -69.8 | 90.5 | 173.3 | -85.9 | -55.5 | 0 | 0 | 0 | 112.3 | H6 | D4-H6 PolarHBondContact O-N 2.72Š|
| 5 | G | 44.6 | Very low | 39.8 | Very low | 72 Ų | 72 | 161.6 Ų | 161.6 | 74% | 0.742 | 84% | 0.843 | S | S | * | * | | | trans | -78.5 | 67.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y3 F7 | Y3-G5 PolarHBondContact O-N 2.59Å; G5-F7 PolarHBondContact O-N 3.33Å |
| 6 | H | 41.9 | Very low | 39.5 | Very low | 165 Ų | 165 | 157.8 Ų | 157.8 | 76% | 0.764 | 83% | 0.831 | S | S | * | * | | | trans | -66.9 | 90 | -176.5 | -119.5 | 1.4 | 0 | 0 | 0 | 114.3 | D4 | D4-H6 PolarHBondContact O-N 2.72Š|
| 7 | F | 40.1 | Very low | 39.2 | Very low | 204 Ų | 204 | 157.8 Ų | 157.8 | 90% | 0.895 | 83% | 0.83 | S | S | * | * | | | trans | -94.7 | 102.1 | 179.8 | -130.5 | -90.8 | 0 | 0 | 0 | 114 | G5 G9 | G5-F7 PolarHBondContact O-N 3.33Å; F7-G9 PolarHBondContact O-N 3.47Å |
| 8 | K | 40.8 | Very low | 38.8 | Very low | 184 Ų | 184 | 160.4 Ų | 160.4 | 80% | 0.8 | 83% | 0.829 | S | S | * | * | | | trans | -88.7 | 79.9 | 178.9 | -73.9 | 174.2 | 179.6 | 163.4 | 0 | 112.4 | G10 | K8-G10 PolarHBondContact O-N 3.41Š|
| 9 | G | 40.1 | Very low | 38.5 | Very low | 73 Ų | 73 | 161.3 Ų | 161.3 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | | | trans | -68.6 | 102.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F7 | F7-G9 PolarHBondContact O-N 3.47Š|
| 10 | G | 37.2 | Very low | 38.2 | Very low | 70 Ų | 70 | 162.9 Ų | 162.9 | 72% | 0.722 | 83% | 0.829 | S | S | * | * | | | trans | -78.4 | 124.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | K8 R12 | K8-G10 PolarHBondContact O-N 3.41Å; G10-R12 PolarHBondContact O-N 3.33Å |
| 11 | A | 36.2 | Very low | 38.1 | Very low | 105 Ų | 105 | 163.8 Ų | 163.8 | 87% | 0.868 | 83% | 0.83 | S | S | * | * | | | trans | -69.4 | 112.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 12 | R | 39.3 | Very low | 37.6 | Very low | 225 Ų | 225 | 159 Ų | 159 | 85% | 0.849 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 119.7 | 168 | -69.4 | -176 | 176.7 | -177.6 | 0.2 | 110.1 | G10 | G10-R12 PolarHBondContact O-N 3.33Š|
| 13 | K | 39.2 | Very low | 37.2 | Very low | 207 Ų | 207 | 156.5 Ų | 156.5 | 90% | 0.9 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 119.7 | 167 | -67.4 | -177.4 | 179.6 | -179.1 | 0 | 109.1 | | |
| 14 | F | 35.3 | Very low | 36.9 | Very low | 187 Ų | 187 | 154.7 Ų | 154.7 | 82% | 0.82 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 143.7 | 162.9 | -76.8 | -98.6 | 0 | 0 | 0 | 109.5 | | |
| 15 | L | 35.3 | Very low | 36.6 | Very low | 159 Ų | 159 | 155.8 Ų | 155.8 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 137 | 166.9 | -74.9 | 162.2 | 0 | 0 | 0 | 108.2 | | |
| 16 | P | 35.1 | Very low | 35.9 | Very low | 100 Ų | 100 | 161.6 Ų | 161.6 | 65% | 0.649 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 133 | 170.9 | 30.2 | -33.1 | 0 | 0 | 0 | 109.7 | Y18 | P16-Y18 HydrophobicContact CB-CE2 4.49Å; P16-Y18 HydrophobicContact CG-CE2 4.25Å |
| 17 | I | 34.3 | Very low | 35.5 | Very low | 159 Ų | 159 | 162.5 Ų | 162.5 | 82% | 0.815 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 120.2 | 168.2 | -61.2 | 173.6 | 0 | 0 | 0 | 106.5 | | |
| 18 | Y | 31.9 | Very low | 34.9 | Very low | 205 Ų | 205 | 158.9 Ų | 158.9 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 116.1 | 168.8 | -79.7 | -96 | 0 | 0 | 0 | 108.8 | P16 | P16-Y18 HydrophobicContact CB-CE2 4.49Å; P16-Y18 HydrophobicContact CG-CE2 4.25Å |
| 19 | Q | 34.1 | Very low | 34.5 | Very low | 176 Ų | 176 | 156.1 Ų | 156.1 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 147.3 | 153.2 | -76.7 | 175.5 | -48.5 | 0 | 0 | 108.4 | | |
| 20 | K | 31.1 | Very low | 34.1 | Very low | 193 Ų | 193 | 158.9 Ų | 158.9 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | | | trans | -132.9 | 96.6 | -178.8 | -170.4 | -172 | -176.5 | -167.2 | 0 | 106.9 | | |
| 21 | E | 36.6 | Very low | 33.7 | Very low | 183 Ų | 183 | 165.5 Ų | 165.5 | 86% | 0.855 | 82% | 0.82 | S | S | * | * | | | trans | -79 | 155 | 169.2 | -67.3 | 175.4 | 160.3 | 0 | 0 | 108.8 | | |
| 22 | V | 34.4 | Very low | 33.4 | Very low | 131 Ų | 131 | 164.2 Ų | 164.2 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | | | trans | -120.5 | 143 | -178.4 | 178.7 | 0 | 0 | 0 | 0 | 107.6 | | |
| 23 | S | 30.6 | Very low | 32.8 | Very low | 93 Ų | 93 | 157.3 Ų | 157.3 | 65% | 0.65 | 82% | 0.816 | S | S | * | * | | | trans | -77.1 | 148.3 | -173.9 | 47 | 0 | 0 | 0 | 0 | 113.4 | | |
| 24 | E | 37.3 | Very low | 32.3 | Very low | 196 Ų | 196 | 154 Ų | 154 | 92% | 0.916 | 82% | 0.817 | S | S | * | * | | | trans | -118.8 | 148.7 | 145.7 | -72.7 | -178.2 | 163 | 0 | 0 | 108.3 | | |
| 25 | E | 33.7 | Very low | 32.1 | Very low | 185 Ų | 185 | 148.5 Ų | 148.5 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | | | trans | -95.6 | 166.3 | -159.4 | -61.9 | -178.5 | 128.7 | 0 | 0 | 112.9 | | |
| 26 | K | 30.3 | Very low | 32.1 | Very low | 193 Ų | 193 | 145.7 Ų | 145.7 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | | | trans | -119.3 | 112.4 | 173 | -72.8 | 179.9 | 177.7 | 175.4 | 0 | 109.6 | | |
| 27 | E | 32.1 | Very low | 32.1 | Very low | 185 Ų | 185 | 148.4 Ų | 148.4 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | | | trans | -68.3 | 143.8 | 159.9 | -94.9 | -160.9 | 137.8 | 0 | 0 | 110.9 | | |
| 28 | V | 27.1 | Very low | 32.3 | Very low | 128 Ų | 128 | 148.1 Ų | 148.1 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | | | trans | -130.7 | 106.5 | 174.2 | 176 | 0 | 0 | 0 | 0 | 107.4 | | |
| 29 | V | 33 | Very low | 32.6 | Very low | 126 Ų | 126 | 146 Ų | 146 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | | | trans | -108.2 | 136.7 | 174.5 | -177.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 30 | V | 31.8 | Very low | 32.8 | Very low | 130 Ų | 130 | 143.5 Ų | 143.5 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | | | trans | -84 | 136.2 | -162.3 | 178.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 31 | K | 28.2 | Very low | 33.3 | Very low | 209 Ų | 209 | 142.5 Ų | 142.5 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | | | trans | -78.4 | 130.8 | 169.6 | -76 | -174.2 | 174.7 | -178.4 | 0 | 111.6 | | |
| 32 | G | 30.4 | Very low | 33.5 | Very low | 78 Ų | 78 | 141.1 Ų | 141.1 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | trans | -165.2 | 152 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 33 | G | 28 | Very low | 34.1 | Very low | 81 Ų | 81 | 143 Ų | 143 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | | | trans | 103.7 | 88.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 34 | C | 28.4 | Very low | 34.7 | Very low | 137 Ų | 137 | 143.3 Ų | 143.3 | 93% | 0.926 | 78% | 0.783 | S | S | * | * | | | trans | -31.4 | 155.7 | 164.9 | -52.2 | 0 | 0 | 0 | 0 | 119.3 | | |
| 35 | G | 30.3 | Very low | 34.8 | Very low | 71 Ų | 71 | 144 Ų | 144 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | | | | 153.9 | 93.7 | 127.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 36 | A | 34.6 | Very low | 35.2 | Very low | 101 Ų | 101 | 141 Ų | 141 | 84% | 0.835 | 76% | 0.763 | S | S | * | * | | | trans | 64 | 153.7 | 149.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 37 | K | 36.8 | Very low | 35.7 | Very low | 156 Ų | 156 | 137.7 Ų | 137.7 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | | | cis | -161.7 | 152.3 | -17.3 | -126 | 175.1 | 172.1 | -88.6 | 0 | 108.7 | | |
| 38 | E | 36.7 | Very low | 36.1 | Very low | 154 Ų | 154 | 138.6 Ų | 138.6 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | | | trans | 45.2 | 156.8 | 145.1 | -76.1 | 153.7 | -175.5 | 0 | 0 | 121.6 | | |
| 39 | E | 39.5 | Very low | 36.8 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | | | cis | -121 | 171.9 | 12.6 | -97.2 | -156.1 | 101.8 | 0 | 0 | 114.2 | K41 | E39-K41 IonicContact OE1-NZ 2.65Å; E39-K41 PolarHBondContact OE1-NZ 3.38Å |
| 40 | E | 38.6 | Very low | 37 | Very low | 123 Ų | 123 | 137 Ų | 137 | 58% | 0.575 | 74% | 0.744 | S | S | * | * | | | trans | -137.8 | 135.5 | -177.6 | -178.2 | -144.2 | -159.4 | 0 | 0 | 110.9 | K42 | E40-K42 HydrophobicContact CG-CG 4.36Å; E40-K42 IonicContact OE1-NZ 2.63Å; E40-K42 PolarHBondContact OE1-NZ 3.26Å; E40-K42 IonicContact OE2-NZ 2.83Å; E40-K42 PolarHBondContact OE2-NZ 3.28Å |
| 41 | K | 41.4 | Very low | 37.2 | Very low | 173 Ų | 173 | 133.9 Ų | 133.9 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | | | trans | -158.9 | 114.7 | 148.8 | -83.9 | 114.1 | -166 | 168.2 | 0 | 107.6 | E39 | E39-K41 IonicContact OE1-NZ 2.65Å; E39-K41 PolarHBondContact OE1-NZ 3.38Å |
| 42 | K | 40.9 | Very low | 37.8 | Very low | 153 Ų | 153 | 131.5 Ų | 131.5 | 67% | 0.665 | 73% | 0.73 | S | S | * | * | | | | 86.6 | 99.3 | 54.8 | -78.2 | -174.3 | 154.5 | 77.1 | 0 | 114.6 | E40 | E40-K42 HydrophobicContact CG-CG 4.36Å; E40-K42 IonicContact OE1-NZ 2.63Å; E40-K42 PolarHBondContact OE1-NZ 3.26Å; E40-K42 IonicContact OE2-NZ 2.83Å; E40-K42 PolarHBondContact OE2-NZ 3.28Å |
| 43 | E | 47.1 | Very low | 38.2 | Very low | 170 Ų | 170 | 135 Ų | 135 | 79% | 0.794 | 72% | 0.723 | S | S | * | * | | | trans | -54.8 | 169.5 | 152.9 | -150.7 | -164.4 | -95.5 | 0 | 0 | 111.8 | | |
| 44 | P | 41.6 | Very low | 38.6 | Very low | 100 Ų | 100 | 136 Ų | 136 | 65% | 0.649 | 72% | 0.717 | S | S | * | * | | | | -162.3 | 155.8 | 94 | 40.4 | -20.4 | 0 | 0 | 0 | 119.5 | | |
| 45 | R | 40 | Very low | 39 | Very low | 210 Ų | 210 | 136 Ų | 136 | 79% | 0.792 | 71% | 0.708 | S | S | * | * | | | trans | 63.9 | 162 | 138.8 | -72.2 | 175.2 | 168.5 | -175.8 | -2.1 | 119.1 | | |
| 46 | E | 41.8 | Very low | 39.6 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 58% | 0.575 | 71% | 0.711 | S | S | * | * | | | cis | -156.4 | -153.3 | -0.6 | -126.1 | 172.8 | 110.6 | 0 | 0 | 107.6 | | |
| 47 | K | 41.4 | Very low | 39.9 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 54% | 0.535 | 71% | 0.707 | S | S | . | * | | | cis | -166.3 | 147.5 | 6.3 | -133.4 | 151.9 | -173 | 111.1 | 0 | 110.9 | | |
| 48 | R | 41 | Very low | 39.7 | Very low | 205 Ų | 205 | 145.6 Ų | 145.6 | 77% | 0.774 | 72% | 0.717 | S | S | * | * | | | trans | 58.5 | 125.2 | 148.1 | -74 | 164.8 | -168.8 | 172.8 | -1 | 120.1 | | |
| 49 | S | 40.8 | Very low | 39.5 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 72% | 0.72 | 72% | 0.716 | S | S | * | * | | | | 83.2 | 150.9 | 66.6 | 91.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 50 | S | 38.3 | Very low | 39.2 | Very low | 116 Ų | 116 | 141.1 Ų | 141.1 | 81% | 0.811 | 72% | 0.724 | S | S | * | * | | | cis | -175 | 159 | 1.6 | 29.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 51 | G | 35.7 | Very low | 38.8 | Very low | 66 Ų | 66 | 138.4 Ų | 138.4 | 68% | 0.68 | 73% | 0.729 | S | S | * | * | | | trans | 143.2 | 123.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 52 | E | 40.4 | Very low | 38.6 | Very low | 158 Ų | 158 | 136.6 Ų | 136.6 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | | | | 71.9 | 136.3 | 70.1 | -71.2 | -154.3 | 140.9 | 0 | 0 | 113.5 | | |
| 53 | K | 38.3 | Very low | 38 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 66% | 0.657 | 74% | 0.735 | S | S | * | * | | | cis | -164.1 | 156.2 | 11.4 | -124.6 | 167.7 | -178 | 133.4 | 0 | 111.2 | | |
| 54 | C | 36.9 | Very low | 37.3 | Very low | 104 Ų | 104 | 136.2 Ų | 136.2 | 70% | 0.703 | 74% | 0.744 | S | S | * | * | | | trans | 56.6 | 168.4 | 150.7 | -62.3 | 0 | 0 | 0 | 0 | 119.4 | | |
| 55 | D | 37.5 | Very low | 36.8 | Very low | 137 Ų | 137 | 140.6 Ų | 140.6 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | | | cis | -166.5 | 143.7 | -46.4 | -102 | -57.6 | 0 | 0 | 0 | 105.2 | | |
| 56 | D | 42.5 | Very low | 36.3 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | | | trans | -166.5 | 152.4 | 141.5 | -115.1 | -32.1 | 0 | 0 | 0 | 116.9 | | |
| 57 | L | 40.4 | Very low | 35.8 | Very low | 142 Ų | 142 | 139.9 Ų | 139.9 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | | | trans | -47.5 | 138.7 | -174.8 | -56.5 | 160.8 | 0 | 0 | 0 | 115.4 | | |
| 58 | R | 33.7 | Very low | 35.2 | Very low | 237 Ų | 237 | 144 Ų | 144 | 89% | 0.894 | 79% | 0.785 | S | S | * | * | | | cis | 83 | 102.8 | 43 | -171.6 | -162.8 | -71.9 | -148.5 | 0.3 | 115.3 | | |
| 59 | G | 31.3 | Very low | 34.5 | Very low | 68 Ų | 68 | 141.1 Ų | 141.1 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | | | trans | 139.1 | 124.6 | 141.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 60 | V | 32.9 | Very low | 34 | Very low | 152 Ų | 152 | 142.4 Ų | 142.4 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | | | trans | 43.1 | 125.6 | 146 | -161.8 | 0 | 0 | 0 | 0 | 118.6 | | |
| 61 | G | 30.2 | Very low | 33.7 | Very low | 66 Ų | 66 | 147.8 Ų | 147.8 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | | | cis | 105.8 | 162.8 | 26.1 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 62 | P | 37.1 | Very low | 33.5 | Very low | 136 Ų | 136 | 149.6 Ų | 149.6 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | | | cis | -122.1 | -174.8 | -18.8 | 42.3 | -27.9 | 0 | 0 | 0 | 112.8 | | |
| 63 | G | 29.5 | Very low | 33.2 | Very low | 63 Ų | 63 | 145.4 Ų | 145.4 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | | | trans | 172 | 124.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 64 | Y | 32.6 | Very low | 32.9 | Very low | 251 Ų | 251 | 147.8 Ų | 147.8 | 98% | 0.984 | 81% | 0.806 | S | S | * | * | | | trans | 70.6 | 146.2 | 161.1 | -62 | -78.3 | 0 | 0 | 0 | 120.3 | | |
| 65 | E | 31.3 | Very low | 32.6 | Very low | 193 Ų | 193 | 152.7 Ų | 152.7 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | | | trans | -136.1 | 164 | -152.9 | -169.6 | 166.9 | -155.6 | 0 | 0 | 112.2 | | |
| 66 | K | 28.4 | Very low | 32.1 | Very low | 194 Ų | 194 | 156.1 Ų | 156.1 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | | | trans | -86.2 | 129.4 | -167.7 | -65.1 | 169.4 | -177.8 | 167.1 | 0 | 113 | | |
| 67 | S | 31.7 | Very low | 31.5 | Very low | 123 Ų | 123 | 152.8 Ų | 152.8 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | | | trans | -81 | 163.3 | 164.9 | 51.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 68 | Y | 28.3 | Very low | 30.7 | Very low | 209 Ų | 209 | 150.1 Ų | 150.1 | 82% | 0.82 | 83% | 0.831 | S | S | * | * | | | trans | -128.4 | 151.7 | -167.6 | -110.4 | -85.3 | 0 | 0 | 0 | 111.4 | | |
| 69 | L | 26.5 | Very low | 30.5 | Very low | 146 Ų | 146 | 143.2 Ų | 143.2 | 76% | 0.764 | 83% | 0.825 | S | S | * | * | | | trans | 62.8 | 164.8 | 160.4 | -72.7 | 153.4 | 0 | 0 | 0 | 115.5 | | |
| 70 | D | 31 | Very low | 30.4 | Very low | 130 Ų | 130 | 151.5 Ų | 151.5 | 70% | 0.695 | 84% | 0.835 | S | S | * | * | | | cis | -135.4 | 162 | 13.2 | -127.5 | -43.8 | 0 | 0 | 0 | 112.4 | | |
| 71 | Y | 30.9 | Very low | 30.1 | Very low | 229 Ų | 229 | 153.6 Ų | 153.6 | 90% | 0.898 | 83% | 0.832 | S | S | * | * | | | trans | -139.3 | 74.9 | 173.2 | -124.4 | -85.6 | 0 | 0 | 0 | 112.5 | G73 | Y71-G73 VanDerWaalsContact C-N 3.29Å; Y71-G73 PolarHBondContact O-N 2.59Å |
| 72 | A | 31.6 | Very low | 30 | Very low | 103 Ų | 103 | 160.1 Ų | 160.1 | 85% | 0.851 | 84% | 0.842 | S | S | * | * | | | trans | -77.3 | 66.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 73 | G | 34.5 | Very low | 29.6 | Very low | 70 Ų | 70 | 160.7 Ų | 160.7 | 72% | 0.722 | 84% | 0.837 | S | S | * | * | | | trans | -99.7 | 78 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y71 | Y71-G73 VanDerWaalsContact C-N 3.29Å; Y71-G73 PolarHBondContact O-N 2.59Å |
| 74 | K | 31.8 | Very low | 29.6 | Very low | 202 Ų | 202 | 162.5 Ų | 162.5 | 88% | 0.878 | 84% | 0.837 | S | S | * | * | | | trans | -75.5 | 131.1 | 173.8 | -70.7 | 173.5 | -177.5 | 163.9 | 0 | 111.3 | | |
| 75 | F | 30.4 | Very low | 29.3 | Very low | 206 Ų | 206 | 158.1 Ų | 158.1 | 90% | 0.904 | 83% | 0.829 | S | S | * | * | | | trans | -135.3 | 130.6 | 154 | -122.4 | -89.8 | 0 | 0 | 0 | 112 | | |
| 76 | K | 27.8 | Very low | 29.3 | Very low | 210 Ų | 210 | 158.8 Ų | 158.8 | 91% | 0.913 | 83% | 0.825 | S | S | * | * | | | trans | -111.6 | 121.3 | 168 | -74 | -179.8 | 176.1 | 179.2 | 0 | 107.3 | | |
| 77 | G | 29.3 | Very low | 29.3 | Very low | 78 Ų | 78 | 159 Ų | 159 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | | | trans | -176 | 136.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 78 | G | 24.9 | Very low | 29.2 | Very low | 86 Ų | 86 | 162.6 Ų | 162.6 | 89% | 0.887 | 83% | 0.826 | S | S | * | * | | | trans | -115.9 | 128.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 79 | A | 28.4 | Very low | 29.3 | Very low | 93 Ų | 93 | 161.9 Ų | 161.9 | 77% | 0.769 | 83% | 0.83 | S | S | * | * | | | trans | -126.8 | 114.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 80 | R | 30.3 | Very low | 29.4 | Very low | 242 Ų | 242 | 160.1 Ų | 160.1 | 91% | 0.913 | 83% | 0.83 | S | S | * | * | | | | 64.8 | 127.4 | 95.2 | -75.6 | -171 | 170.1 | -165.8 | -2.2 | 113.6 | | |
| 81 | K | 26.3 | Very low | 29.4 | Very low | 196 Ų | 196 | 159.6 Ų | 159.6 | 85% | 0.852 | 84% | 0.836 | S | S | * | * | | | trans | -73.9 | 142.5 | -176.5 | -54.7 | 169.5 | -176.5 | 172.1 | 0 | 110.7 | | |
| 82 | F | 27.7 | Very low | 29.3 | Very low | 202 Ų | 202 | 152.9 Ų | 152.9 | 89% | 0.886 | 83% | 0.829 | S | S | * | * | | | trans | -122.2 | 140.9 | 148.6 | -82.5 | -88.8 | 0 | 0 | 0 | 109.1 | | |
| 83 | L | 27.8 | Very low | 29.2 | Very low | 149 Ų | 149 | 157 Ų | 157 | 78% | 0.78 | 83% | 0.83 | S | S | * | * | | | trans | -111 | 113.8 | 174.1 | -99.4 | 156.4 | 0 | 0 | 0 | 106.6 | I85 | L83-I85 PolarHBondContact O-N 3.46Å; L83-I85 VanDerWaalsContact O-N 3.15Å |
| 84 | P | 30.7 | Very low | 29 | Very low | 101 Ų | 101 | 162.3 Ų | 162.3 | 66% | 0.656 | 83% | 0.833 | S | S | * | * | | | trans | -68 | 111 | 173.9 | -18.4 | 32 | 0 | 0 | 0 | 109.9 | Y86 | P84-Y86 HydrophobicContact CB-CD2 3.81Å; P84-Y86 HydrophobicContact CB-CE2 3.52Å; P84-Y86 PolarHBondContact O-N 3.36Å |
| 85 | I | 26.5 | Very low | 28.8 | Very low | 159 Ų | 159 | 161.3 Ų | 161.3 | 82% | 0.815 | 83% | 0.832 | S | S | * | * | | | trans | -87.6 | 96 | 172.3 | -58.4 | 174.6 | 0 | 0 | 0 | 107.5 | L83 | L83-I85 PolarHBondContact O-N 3.46Å; L83-I85 VanDerWaalsContact O-N 3.15Å |
| 86 | Y | 29.8 | Very low | 28.7 | Very low | 207 Ų | 207 | 157.2 Ų | 157.2 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | | | trans | -95.2 | 115.4 | 169.1 | -74.6 | -77.5 | 0 | 0 | 0 | 109.8 | P84 | P84-Y86 HydrophobicContact CB-CD2 3.81Å; P84-Y86 HydrophobicContact CB-CE2 3.52Å; P84-Y86 PolarHBondContact O-N 3.36Å |
| 87 | K | 29.6 | Very low | 28.6 | Very low | 199 Ų | 199 | 151.8 Ų | 151.8 | 87% | 0.865 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 131.6 | 167.7 | -78.1 | -176.7 | 171.7 | -176.6 | 0 | 108.8 | | |
| 88 | K | 28.4 | Very low | 28.7 | Very low | 198 Ų | 198 | 155.3 Ų | 155.3 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 129.2 | 156.3 | -78.1 | -168.7 | 169.7 | -164.9 | 0 | 108.2 | | |
| 89 | Q | 30.3 | Very low | 28.7 | Very low | 193 Ų | 193 | 160.2 Ų | 160.2 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 133.2 | 149.8 | -75.5 | 175.3 | -46.8 | 0 | 0 | 107.3 | | |
| 90 | S | 28.5 | Very low | 28.6 | Very low | 110 Ų | 110 | 159.4 Ų | 159.4 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | | | trans | -137.2 | 89.6 | 168.4 | 54.7 | 0 | 0 | 0 | 0 | 106.6 | A92 | S90-A92 PolarHBondContact O-N 3.38Š|
| 91 | S | 31.4 | Very low | 28.5 | Very low | 118 Ų | 118 | 151.8 Ų | 151.8 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | | | trans | -64.3 | 123.2 | 169.3 | 37.8 | 0 | 0 | 0 | 0 | 108.5 | E93 | S91-E93 PolarHBondContact O-N 3.45Š|
| 92 | A | 29.4 | Very low | 28.6 | Very low | 89 Ų | 89 | 147.3 Ų | 147.3 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | | | trans | -87.9 | 105.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | S90 | S90-A92 PolarHBondContact O-N 3.38Š|
| 93 | E | 30.4 | Very low | 28.6 | Very low | 189 Ų | 189 | 142.2 Ų | 142.2 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | | | trans | -73.9 | 136.6 | 161.6 | -63.4 | -167.6 | 156.5 | 0 | 0 | 108.8 | S91 | S91-E93 PolarHBondContact O-N 3.45Š|
| 94 | K | 30.3 | Very low | 28.9 | Very low | 181 Ų | 181 | 140.5 Ų | 140.5 | 79% | 0.787 | 79% | 0.794 | S | S | * | * | | | trans | -107.4 | 118.6 | -177.7 | -69.9 | 178 | 178.9 | 176.2 | 0 | 108.7 | V96 | K94-V96 PolarHBondContact O-N 3.27Å; K94-V96 VanDerWaalsContact O-N 3.1Å |
| 95 | E | 27 | Very low | 28.7 | Very low | 182 Ų | 182 | 141.1 Ų | 141.1 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | | | trans | -60 | 112.6 | 165.6 | -63.9 | -176 | 113.3 | 0 | 0 | 109.8 | V97 | E95-V97 HydrophobicContact CB-CG2 3.96Å; E95-V97 PolarHBondContact O-N 2.84Å |
| 96 | V | 27.2 | Very low | 28.8 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | -91.5 | 79.8 | 171.5 | -176.2 | 0 | 0 | 0 | 0 | 108.1 | K94 I98 | K94-V96 PolarHBondContact O-N 3.27Å; K94-V96 VanDerWaalsContact O-N 3.1Å; V96-I98 HydrophobicContact CG1-CD1 4.35Å; V96-I98 HydrophobicContact CG1-CG1 4Å; V96-I98 PolarHBondContact O-N 3Å |
| 97 | V | 26.8 | Very low | 28.9 | Very low | 95 Ų | 95 | 139.4 Ų | 139.4 | 58% | 0.576 | 80% | 0.803 | S | S | * | * | | | trans | -73.5 | 86 | -178 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | E95 K99 | E95-V97 HydrophobicContact CB-CG2 3.96Å; E95-V97 PolarHBondContact O-N 2.84Å; V97-K99 HydrophobicContact CG1-CD 4.14Å; V97-K99 HydrophobicContact CG1-CG 3.96Å; V97-K99 PolarHBondContact O-N 2.9Å |
| 98 | I | 30.5 | Very low | 28.9 | Very low | 152 Ų | 152 | 136.5 Ų | 136.5 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | | | trans | -78.3 | 86.6 | 172.9 | -53.8 | -177.2 | 0 | 0 | 0 | 109.7 | V96 | V96-I98 HydrophobicContact CG1-CD1 4.35Å; V96-I98 HydrophobicContact CG1-CG1 4Å; V96-I98 PolarHBondContact O-N 3Å |
| 99 | K | 26 | Very low | 29 | Very low | 189 Ų | 189 | 133.2 Ų | 133.2 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | | | trans | -93.3 | 104.2 | 165.5 | -79.7 | 178 | 178.9 | 178.4 | 0 | 109.9 | V97 | V97-K99 HydrophobicContact CG1-CD 4.14Å; V97-K99 HydrophobicContact CG1-CG 3.96Å; V97-K99 PolarHBondContact O-N 2.9Å |
| 100 | G | 26.6 | Very low | 29.1 | Very low | 77 Ų | 77 | 133.9 Ų | 133.9 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | | | trans | 166.4 | 70.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 101 | G | 27.2 | Very low | 29.5 | Very low | 82 Ų | 82 | 134.3 Ų | 134.3 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | | | trans | -139.8 | 72.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 102 | A | 28.3 | Very low | 29.4 | Very low | 101 Ų | 101 | 133.6 Ų | 133.6 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | | | trans | -77.4 | 135.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 103 | A | 27 | Very low | 29.7 | Very low | 96 Ų | 96 | 138 Ų | 138 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | | | trans | -64.7 | 153.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 104 | P | 34.1 | Very low | 30 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | | | | -144.3 | 151.6 | 106.7 | 37 | -23.6 | 0 | 0 | 0 | 116.8 | | |
| 105 | C | 27.2 | Very low | 30 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | | | trans | 64.4 | 117.9 | 148.7 | -66.4 | 0 | 0 | 0 | 0 | 121.2 | K107 | C105-K107 PolarHBondContact O-N 3.18Š|
| 106 | P | 29.1 | Very low | 30.3 | Very low | 131 Ų | 131 | 135.6 Ų | 135.6 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | | | trans | -81.5 | 109 | 167.9 | 32.5 | -31.3 | 0 | 0 | 0 | 111.4 | | |
| 107 | K | 31 | Very low | 30.6 | Very low | 199 Ų | 199 | 136.8 Ų | 136.8 | 87% | 0.865 | 81% | 0.805 | S | S | * | * | | | trans | -160.9 | 31.2 | 169.5 | -119.1 | 163.4 | -170.4 | 177.7 | 0 | 116.7 | C105 | C105-K107 PolarHBondContact O-N 3.18Š|
| 108 | C | 30.9 | Very low | 30.9 | Very low | 138 Ų | 138 | 140.2 Ų | 140.2 | 93% | 0.932 | 82% | 0.819 | S | S | * | * | | | trans | -111.5 | 72.7 | 174.8 | -68.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 109 | V | 29.2 | Very low | 30.9 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | | | trans | -97.3 | 107.7 | 168.4 | 176 | 0 | 0 | 0 | 0 | 107.9 | | |
| 110 | F | 32.2 | Very low | 31.2 | Very low | 207 Ų | 207 | 132.9 Ų | 132.9 | 91% | 0.908 | 82% | 0.817 | S | S | * | * | | | trans | -141.5 | 133.3 | 157.8 | -101.8 | -73 | 0 | 0 | 0 | 112.2 | | |
| 111 | T | 37.9 | Very low | 31.6 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 73% | 0.73 | 82% | 0.82 | S | S | * | * | | | trans | -68.1 | 147 | -164.6 | 48.4 | 0 | 0 | 0 | 0 | 115.4 | | |
| 112 | A | 28.4 | Very low | 31.8 | Very low | 104 Ų | 104 | 144.9 Ų | 144.9 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | | | trans | -78.2 | 130.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 113 | K | 36.5 | Very low | 32.1 | Very low | 182 Ų | 182 | 149.8 Ų | 149.8 | 79% | 0.791 | 83% | 0.827 | S | S | * | * | | | trans | -159.4 | 143.7 | 163.7 | -94.5 | -178.7 | -176.2 | 177.9 | 0 | 105.7 | | |
| 114 | D | 36 | Very low | 32.4 | Very low | 151 Ų | 151 | 149.1 Ų | 149.1 | 81% | 0.807 | 83% | 0.83 | S | S | * | * | | | cis | -129.3 | -179.4 | 12.9 | -80.1 | -60 | 0 | 0 | 0 | 113.5 | | |
| 115 | R | 31.1 | Very low | 32.3 | Very low | 235 Ų | 235 | 147.5 Ų | 147.5 | 89% | 0.887 | 83% | 0.833 | S | S | * | * | | | trans | -106.5 | 169.2 | 179.1 | -81 | 179.6 | 166.8 | 178.5 | -3.9 | 112 | | |
| 116 | S | 32.3 | Very low | 32.4 | Very low | 114 Ų | 114 | 146.6 Ų | 146.6 | 80% | 0.797 | 84% | 0.835 | S | S | * | * | | | trans | 75.4 | 150.6 | 171.8 | 78 | 0 | 0 | 0 | 0 | 113.5 | | |
| 117 | I | 33.9 | Very low | 32.6 | Very low | 145 Ų | 145 | 152.2 Ų | 152.2 | 74% | 0.744 | 84% | 0.839 | S | S | * | * | | | cis | -140.9 | 138.2 | 43.5 | -81.8 | 179.7 | 0 | 0 | 0 | 114.7 | | |
| 118 | L | 33.2 | Very low | 32.5 | Very low | 168 Ų | 168 | 151.8 Ų | 151.8 | 88% | 0.88 | 84% | 0.837 | S | S | * | * | | | trans | 49.6 | 151.4 | 154.3 | -73.8 | 165.2 | 0 | 0 | 0 | 123.4 | | |
| 119 | S | 29.8 | Very low | 32.5 | Very low | 107 Ų | 107 | 155.1 Ų | 155.1 | 75% | 0.748 | 84% | 0.836 | S | S | * | * | | | trans | -108.6 | 151.7 | -178.8 | 56.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 120 | G | 33 | Very low | 32.3 | Very low | 79 Ų | 79 | 156.4 Ų | 156.4 | 81% | 0.814 | 84% | 0.837 | S | S | * | * | | | trans | -136.3 | 127.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 121 | K | 34.6 | Very low | 32.3 | Very low | 197 Ų | 197 | 152 Ų | 152 | 86% | 0.857 | 83% | 0.833 | S | S | * | * | | | trans | -102.5 | 139.9 | 178.7 | -69.7 | 173.6 | 179.8 | 168.5 | 0 | 110.3 | | |
| 122 | F | 32.8 | Very low | 31.8 | Very low | 214 Ų | 214 | 154 Ų | 154 | 94% | 0.939 | 84% | 0.837 | S | S | * | * | | | trans | -124 | 151.4 | 155.8 | -117.1 | -97.9 | 0 | 0 | 0 | 110.3 | | |
| 123 | K | 34.6 | Very low | 31.9 | Very low | 204 Ų | 204 | 159 Ų | 159 | 89% | 0.887 | 84% | 0.835 | S | S | * | * | | | trans | -133.9 | 147.2 | -173.7 | -103.3 | -171.2 | 175.2 | -173.9 | 0 | 110.2 | | |
| 124 | G | 33.4 | Very low | 31.4 | Very low | 82 Ų | 82 | 157.6 Ų | 157.6 | 85% | 0.845 | 83% | 0.831 | S | S | * | * | | | trans | 96.3 | 145.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 125 | G | 30.7 | Very low | 31.1 | Very low | 79 Ų | 79 | 157.7 Ų | 157.7 | 81% | 0.814 | 83% | 0.825 | S | S | * | * | | | cis | -163.3 | 146.2 | -5 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 126 | A | 30.1 | Very low | 31 | Very low | 96 Ų | 96 | 153.6 Ų | 153.6 | 79% | 0.793 | 82% | 0.816 | S | S | * | * | | | trans | -85.9 | 143.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 127 | R | 32.7 | Very low | 30.9 | Very low | 248 Ų | 248 | 154.3 Ų | 154.3 | 94% | 0.936 | 82% | 0.815 | S | S | * | * | | | | -169.9 | 157 | 113.8 | -99.4 | 158.4 | -167.2 | -151.8 | 3 | 113.4 | | |
| 128 | K | 29.4 | Very low | 30.6 | Very low | 191 Ų | 191 | 152.5 Ų | 152.5 | 83% | 0.83 | 82% | 0.815 | S | S | * | * | | | trans | -60.3 | 151.1 | -179.1 | -53 | 168.1 | 178.6 | -180 | 0 | 112.1 | | |
| 129 | F | 29.8 | Very low | 30.7 | Very low | 207 Ų | 207 | 151.3 Ų | 151.3 | 91% | 0.908 | 81% | 0.805 | S | S | * | * | | | | -152.1 | 142.1 | 122.3 | -116.8 | -77.4 | 0 | 0 | 0 | 110.9 | | |
| 130 | L | 25.6 | Very low | 30.6 | Very low | 155 Ų | 155 | 155.2 Ų | 155.2 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | | | trans | -82.7 | 138.9 | 166.5 | -85.1 | 71.1 | 0 | 0 | 0 | 108.8 | | |
| 131 | S | 32.4 | Very low | 30.6 | Very low | 115 Ų | 115 | 158.8 Ų | 158.8 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | -150.2 | 142.4 | 144 | 55.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 132 | I | 27.5 | Very low | 30.3 | Very low | 162 Ų | 162 | 157.7 Ų | 157.7 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | | | trans | -88.5 | 129.7 | -174.3 | -64.7 | 158.9 | 0 | 0 | 0 | 108.1 | | |
| 133 | Y | 30.1 | Very low | 30.2 | Very low | 208 Ų | 208 | 153.6 Ų | 153.6 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | | | trans | -137.7 | 162.8 | 162.6 | -112.8 | -85.8 | 0 | 0 | 0 | 112.7 | | |
| 134 | Q | 27.4 | Very low | 30.1 | Very low | 152 Ų | 152 | 148.7 Ų | 148.7 | 71% | 0.71 | 78% | 0.782 | S | S | * | * | | | trans | -75.2 | 177 | -161.8 | -56.5 | 169.8 | -11 | 0 | 0 | 114.9 | | |
| 135 | K | 28.9 | Very low | 30.3 | Very low | 154 Ų | 154 | 150.7 Ų | 150.7 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | | | trans | 104.2 | 111.9 | 142.1 | -76.3 | -171.4 | 162.7 | -125.4 | 0 | 119.7 | | |
| 136 | E | 28.1 | Very low | 30.5 | Very low | 148 Ų | 148 | 153.6 Ų | 153.6 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | | | | 60.9 | 170.5 | 118 | -60.9 | 177 | 133.7 | 0 | 0 | 119.8 | | |
| 137 | V | 30.6 | Very low | 30.5 | Very low | 129 Ų | 129 | 153.1 Ų | 153.1 | 78% | 0.782 | 78% | 0.778 | S | S | * | * | | | trans | 74.2 | 109.5 | 174.5 | -166.6 | 0 | 0 | 0 | 0 | 115.6 | | |
| 138 | S | 28.6 | Very low | 30.4 | Very low | 107 Ų | 107 | 144.6 Ų | 144.6 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | | | trans | -54.1 | 125.6 | 161.7 | 46.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 139 | E | 33.8 | Very low | 30.4 | Very low | 144 Ų | 144 | 142.4 Ų | 142.4 | 67% | 0.673 | 78% | 0.775 | S | S | * | * | | | trans | -108 | 96.9 | 159.6 | -71.8 | -168.9 | 137.1 | 0 | 0 | 109.8 | K141 | E139-K141 HydrophobicContact CB-CG 4.47Å; E139-K141 PolarHBondContact O-N 2.66Å; E139-K141 VanDerWaalsContact OE2-CE 3.24Å; E139-K141 WeakPolarHBondContact OE2-CE 3.33Å; E139-K141 IonicContact OE2-NZ 2.71Å; E139-K141 PolarHBondContact OE2-NZ 2.77Å |
| 140 | E | 28.6 | Very low | 30.5 | Very low | 188 Ų | 188 | 135.8 Ų | 135.8 | 88% | 0.879 | 77% | 0.765 | S | S | * | * | | | trans | -69.5 | 96.2 | 161.6 | -69.5 | -174.5 | 126.4 | 0 | 0 | 108.4 | E142 | E140-E142 PolarHBondContact O-N 2.71Å; E140-E142 VanDerWaalsContact O-N 3.11Å |
| 141 | K | 33.2 | Very low | 30.9 | Very low | 155 Ų | 155 | 133 Ų | 133 | 67% | 0.674 | 76% | 0.764 | S | S | * | * | | | trans | -81 | 90.5 | 177 | -85 | 168.6 | 169.5 | 150.3 | 0 | 110.5 | E139 V143 | E139-K141 HydrophobicContact CB-CG 4.47Å; E139-K141 PolarHBondContact O-N 2.66Å; E139-K141 VanDerWaalsContact OE2-CE 3.24Å; E139-K141 WeakPolarHBondContact OE2-CE 3.33Å; E139-K141 IonicContact OE2-NZ 2.71Å; E139-K141 PolarHBondContact OE2-NZ 2.77Å; K141-V143 PolarHBondContact O-N 2.84Å |
| 142 | E | 28.6 | Very low | 31.2 | Very low | 173 Ų | 173 | 136.2 Ų | 136.2 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | | | trans | -54.6 | 108.7 | 163.4 | -69.8 | -166.9 | 121.4 | 0 | 0 | 109.9 | E140 V144 | E140-E142 PolarHBondContact O-N 2.71Å; E140-E142 VanDerWaalsContact O-N 3.11Å; E142-V144 VanDerWaalsContact C-N 3.28Å; E142-V144 HydrophobicContact CB-CG2 4.29Å; E142-V144 PolarHBondContact O-N 2.88Å |
| 143 | V | 30.8 | Very low | 32 | Very low | 128 Ų | 128 | 136.8 Ų | 136.8 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | | | trans | -79.8 | 82.8 | 172.9 | -173.8 | 0 | 0 | 0 | 0 | 108.3 | K141 V145 | K141-V143 PolarHBondContact O-N 2.84Å; V143-V145 VanDerWaalsContact C-N 3.32Å; V143-V145 HydrophobicContact CG1-CG2 3.85Å; V143-V145 PolarHBondContact O-N 2.91Å |
| 144 | V | 31.9 | Very low | 32.8 | Very low | 101 Ų | 101 | 135.6 Ų | 135.6 | 61% | 0.612 | 76% | 0.76 | S | S | * | * | | | trans | -70.7 | 88.8 | 173.2 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | E142 N146 | E142-V144 VanDerWaalsContact C-N 3.28Å; E142-V144 HydrophobicContact CB-CG2 4.29Å; E142-V144 PolarHBondContact O-N 2.88Å; V144-N146 VanDerWaalsContact C-N 3.26Å; V144-N146 PolarHBondContact O-N 2.86Å |
| 145 | V | 37.3 | Very low | 33.7 | Very low | 124 Ų | 124 | 133 Ų | 133 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | | | trans | -72.6 | 81.6 | 175 | -172.7 | 0 | 0 | 0 | 0 | 109.7 | V143 G147 | V143-V145 VanDerWaalsContact C-N 3.32Å; V143-V145 HydrophobicContact CG1-CG2 3.85Å; V143-V145 PolarHBondContact O-N 2.91Å; V145-G147 PolarHBondContact O-N 3.11Å |
| 146 | N | 35.5 | Very low | 34.6 | Very low | 141 Ų | 141 | 129.9 Ų | 129.9 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | | | trans | -65.9 | 118.3 | 163.3 | -81.4 | -50.6 | 0 | 0 | 0 | 108.7 | V144 G148 | V144-N146 VanDerWaalsContact C-N 3.26Å; V144-N146 PolarHBondContact O-N 2.86Å; N146-G148 PolarHBondContact O-N 2.89Å |
| 147 | G | 29.3 | Very low | 35.6 | Very low | 85 Ų | 85 | 129.8 Ų | 129.8 | 88% | 0.876 | 74% | 0.741 | S | S | * | * | | | trans | -69.4 | 87.4 | -175 | 0 | 0 | 0 | 0 | 0 | 113.4 | V145 | V145-G147 PolarHBondContact O-N 3.11Š|
| 148 | G | 31.7 | Very low | 36.5 | Very low | 69 Ų | 69 | 126.4 Ų | 126.4 | 71% | 0.711 | 73% | 0.727 | S | S | * | * | | | trans | -111.7 | 108.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N146 G150 | N146-G148 PolarHBondContact O-N 2.89Å; G148-G150 PolarHBondContact O-N 3.07Å; G148-G150 VanDerWaalsContact O-N 3.15Å |
| 149 | C | 29.1 | Very low | 37.7 | Very low | 146 Ų | 146 | 127.3 Ų | 127.3 | 99% | 0.986 | 72% | 0.722 | S | S | * | * | | | trans | -72.6 | 102.9 | 172.1 | -66.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 150 | G | 32.3 | Very low | 38.9 | Very low | 67 Ų | 67 | 126.3 Ų | 126.3 | 69% | 0.691 | 72% | 0.718 | S | S | * | * | | | trans | 173.6 | 111 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | G148 | G148-G150 PolarHBondContact O-N 3.07Å; G148-G150 VanDerWaalsContact O-N 3.15Å |
| 151 | A | 32.9 | Very low | 40.5 | Very low | 97 Ų | 97 | 125.4 Ų | 125.4 | 80% | 0.802 | 71% | 0.707 | S | S | * | * | | | trans | 50.5 | 106.5 | 159.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 152 | R | 37.9 | Very low | 42.3 | Very low | 182 Ų | 182 | 122.9 Ų | 122.9 | 69% | 0.687 | 70% | 0.698 | S | S | * | * | | | trans | -169 | 71.6 | 151.4 | -103.8 | 151.7 | -171.5 | -105.3 | -9.5 | 111.2 | E155 | R152-E155 VanDerWaalsContact CD-OE2 3.28Å; R152-E155 WeakPolarHBondContact CD-OE2 3.16Å; R152-E155 HydrophobicContact CG-CG 4.35Å; R152-E155 WeakPolarHBondContact CG-OE2 3.24Å; R152-E155 IonicContact CZ-OE1 2.59Å; R152-E155 IonicContact CZ-OE2 2.77Å; R152-E155 IonicContact NE-OE2 3.33Å; R152-E155 IonicContact NH1-OE1 3.41Å; R152-E155 PolarHBondContact NH1-OE1 2.9Å; R152-E155 IonicContact NH1-OE2 3.73Å; R152-E155 PolarHBondContact NH1-OE2 2.86Å; R152-E155 IonicContact NH2-OE1 2.66Å |
| 153 | E | 44.9 | Very low | 44.3 | Very low | 175 Ų | 175 | 117.7 Ų | 117.7 | 82% | 0.818 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -90.8 | -15.1 | 172 | -68.8 | 178 | 137.1 | 0 | 0 | 112.5 | T156 | E153-T156 PolarHBondContact O-OG1 3.08Š|
| 154 | E | 48.2 | Very low | 46.3 | Very low | 182 Ų | 182 | 117.3 Ų | 117.3 | 85% | 0.85 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -81.5 | -12.5 | -180 | -64.7 | -177.2 | 128.7 | 0 | 0 | 114.4 | | |
| 155 | E | 46 | Very low | 48.5 | Very low | 98 Ų | 98 | 117.7 Ų | 117.7 | 46% | 0.458 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -89.8 | -16.4 | -176.8 | -71.7 | -175.4 | 148.7 | 0 | 0 | 113.9 | R152 | R152-E155 VanDerWaalsContact CD-OE2 3.28Å; R152-E155 WeakPolarHBondContact CD-OE2 3.16Å; R152-E155 HydrophobicContact CG-CG 4.35Å; R152-E155 WeakPolarHBondContact CG-OE2 3.24Å; R152-E155 IonicContact CZ-OE1 2.59Å; R152-E155 IonicContact CZ-OE2 2.77Å; R152-E155 IonicContact NE-OE2 3.33Å; R152-E155 IonicContact NH1-OE1 3.41Å; R152-E155 PolarHBondContact NH1-OE1 2.9Å; R152-E155 IonicContact NH1-OE2 3.73Å; R152-E155 PolarHBondContact NH1-OE2 2.86Å; R152-E155 IonicContact NH2-OE1 2.66Å |
| 156 | T | 47.4 | Very low | 50.5 | Low | 88 Ų | 88 | 117.7 Ų | 117.7 | 54% | 0.54 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -77.2 | -43.6 | 178.2 | 38 | 0 | 0 | 0 | 0 | 112.7 | E153 A158 L159 E160 | E153-T156 PolarHBondContact O-OG1 3.08Å; T156-A158 PolarHBondContact O-N 3.01Å; T156-L159 PolarHBondContact O-N 3.06Å; T156-L159 VanDerWaalsContact O-N 3.15Å; T156-E160 PolarHBondContact O-N 2.99Å |
| 157 | E | 48.9 | Very low | 52.6 | Low | 147 Ų | 147 | 119.2 Ų | 119.2 | 69% | 0.687 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -60.9 | -35.1 | 179.6 | -63 | -167.2 | 154.9 | 0 | 0 | 112.2 | L159 E160 Y161 | E157-L159 VanDerWaalsContact C-N 3.33Å; E157-L159 PolarHBondContact O-N 3.4Å; E157-E160 PolarHBondContact O-N 3.36Å; E157-Y161 PolarHBondContact O-N 2.88Å |
| 158 | A | 50 | Low | 55.1 | Low | 58 Ų | 58 | 120.2 Ų | 120.2 | 48% | 0.479 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -63.3 | -36.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | T156 Y161 E162 | T156-A158 PolarHBondContact O-N 3.01Å; A158-Y161 PolarHBondContact O-N 2.82Å; A158-E162 PolarHBondContact O-N 2.85Å; A158-E162 VanDerWaalsContact O-N 3.16Å |
| 159 | L | 54.3 | Low | 57.5 | Low | 126 Ų | 126 | 119.5 Ų | 119.5 | 66% | 0.66 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -73.9 | -37.3 | 179.2 | -74.6 | 167.8 | 0 | 0 | 0 | 112.2 | T156 E157 Y161 E162 S163 | T156-L159 PolarHBondContact O-N 3.06Å; T156-L159 VanDerWaalsContact O-N 3.15Å; E157-L159 VanDerWaalsContact C-N 3.33Å; E157-L159 PolarHBondContact O-N 3.4Å; L159-Y161 VanDerWaalsContact C-N 3.34Å; L159-E162 PolarHBondContact O-N 3.24Å; L159-S163 PolarHBondContact O-N 2.97Å |
| 160 | E | 58.5 | Low | 59.9 | Low | 122 Ų | 122 | 115.6 Ų | 115.6 | 57% | 0.57 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65 | -39.6 | 172 | -64.8 | -165.9 | 166.1 | 0 | 0 | 111.5 | T156 E157 E162 S163 M164 | T156-E160 PolarHBondContact O-N 2.99Å; E157-E160 PolarHBondContact O-N 3.36Å; E160-E162 VanDerWaalsContact C-N 3.33Å; E160-E162 PolarHBondContact O-N 3.04Å; E160-S163 PolarHBondContact O-N 2.91Å; E160-S163 PolarHBondContact O-OG 3.21Å; E160-M164 WeakPolarHBondContact O-CG 3.46Å; E160-M164 PolarHBondContact O-N 2.93Å |
| 161 | Y | 62 | Low | 62.2 | Low | 169 Ų | 169 | 116.2 Ų | 116.2 | 66% | 0.663 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68.4 | -29.5 | 178.7 | -132.5 | -78.2 | 0 | 0 | 0 | 113.4 | E157 A158 L159 K165 | E157-Y161 PolarHBondContact O-N 2.88Å; A158-Y161 PolarHBondContact O-N 2.82Å; L159-Y161 VanDerWaalsContact C-N 3.34Å; Y161-K165 WeakPolarHBondContact O-CD 3.24Å; Y161-K165 VanDerWaalsContact O-CG 3.27Å; Y161-K165 WeakPolarHBondContact O-CG 3.33Å; Y161-K165 PolarHBondContact O-N 3.06Å |
| 162 | E | 70.4 | Confident | 64.4 | Low | 102 Ų | 102 | 116.6 Ų | 116.6 | 48% | 0.477 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -73.8 | -41.1 | 170.3 | -73.4 | -66.8 | 102.6 | 0 | 0 | 112.1 | A158 L159 E160 K165 L166 | A158-E162 PolarHBondContact O-N 2.85Å; A158-E162 VanDerWaalsContact O-N 3.16Å; L159-E162 PolarHBondContact O-N 3.24Å; E160-E162 VanDerWaalsContact C-N 3.33Å; E160-E162 PolarHBondContact O-N 3.04Å; E162-K165 PolarHBondContact O-N 3.12Å; E162-K165 WeakPolarHBondContact OE1-CD 3.28Å; E162-K165 IonicContact OE1-NZ 2.65Å; E162-K165 PolarHBondContact OE1-NZ 3.05Å; E162-L166 PolarHBondContact O-N 2.99Å; E162-L166 VanDerWaalsContact O-N 3.1Å |
| 163 | S | 71.2 | Confident | 66.1 | Low | 64 Ų | 64 | 114.6 Ų | 114.6 | 45% | 0.448 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.6 | -39.9 | 179.9 | 77.9 | 0 | 0 | 0 | 0 | 112.2 | L159 E160 K165 L166 Y167 | L159-S163 PolarHBondContact O-N 2.97Å; E160-S163 PolarHBondContact O-N 2.91Å; E160-S163 PolarHBondContact O-OG 3.21Å; S163-K165 PolarHBondContact O-N 3.1Å; S163-L166 PolarHBondContact O-N 3.5Å; S163-Y167 PolarHBondContact O-N 3.42Å |
| 164 | M | 72 | Confident | 67.4 | Low | 121 Ų | 121 | 108.5 Ų | 108.5 | 60% | 0.596 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64.3 | -37.4 | 174.8 | -68.9 | -170.2 | -160.1 | 0 | 0 | 112.7 | E160 Y167 L168 | E160-M164 WeakPolarHBondContact O-CG 3.46Å; E160-M164 PolarHBondContact O-N 2.93Å; M164-Y167 PolarHBondContact O-N 2.89Å; M164-L168 WeakPolarHBondContact O-CB 3.38Å; M164-L168 PolarHBondContact O-N 2.95Å |
| 165 | K | 79.2 | Confident | 68.4 | Low | 108 Ų | 108 | 105.1 Ų | 105.1 | 47% | 0.47 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 172.9 | -73.6 | 166.9 | -167.5 | 157.1 | 0 | 111.5 | Y161 E162 S163 L168 A169 | Y161-K165 WeakPolarHBondContact O-CD 3.24Å; Y161-K165 VanDerWaalsContact O-CG 3.27Å; Y161-K165 WeakPolarHBondContact O-CG 3.33Å; Y161-K165 PolarHBondContact O-N 3.06Å; E162-K165 PolarHBondContact O-N 3.12Å; E162-K165 WeakPolarHBondContact OE1-CD 3.28Å; E162-K165 IonicContact OE1-NZ 2.65Å; E162-K165 PolarHBondContact OE1-NZ 3.05Å; S163-K165 PolarHBondContact O-N 3.1Å; K165-L168 PolarHBondContact O-N 2.95Å; K165-A169 VanDerWaalsContact O-CB 3.25Å; K165-A169 WeakPolarHBondContact O-CB 3.27Å; K165-A169 PolarHBondContact O-N 2.88Å |
| 166 | L | 79 | Confident | 69 | Low | 125 Ų | 125 | 103.7 Ų | 103.7 | 65% | 0.654 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.9 | -41.4 | 178.5 | -74.9 | 168.1 | 0 | 0 | 0 | 111.7 | E162 S163 A169 A170 | E162-L166 PolarHBondContact O-N 2.99Å; E162-L166 VanDerWaalsContact O-N 3.1Å; S163-L166 PolarHBondContact O-N 3.5Å; L166-A169 PolarHBondContact O-N 3.31Å; L166-A170 WeakPolarHBondContact O-CB 3.37Å; L166-A170 PolarHBondContact O-N 3.07Å |
| 167 | Y | 79.2 | Confident | 69.5 | Low | 173 Ų | 173 | 107.4 Ų | 107.4 | 68% | 0.678 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65 | -45.2 | 176.1 | -167.7 | -96.5 | 0 | 0 | 0 | 112.1 | S163 M164 A169 A170 L171 | S163-Y167 PolarHBondContact O-N 3.42Å; M164-Y167 PolarHBondContact O-N 2.89Å; Y167-A169 PolarHBondContact O-N 3.28Å; Y167-A170 PolarHBondContact O-N 3.41Å; Y167-L171 HydrophobicContact CE1-CD1 4.19Å; Y167-L171 WeakPolarHBondContact O-CB 3.44Å; Y167-L171 PolarHBondContact O-N 2.94Å |
| 168 | L | 81.7 | Confident | 69.8 | Low | 105 Ų | 105 | 104.4 Ų | 104.4 | 55% | 0.55 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.5 | -40.1 | 176.6 | -172.9 | 66.7 | 0 | 0 | 0 | 111.9 | M164 K165 L171 L172 | M164-L168 WeakPolarHBondContact O-CB 3.38Å; M164-L168 PolarHBondContact O-N 2.95Å; K165-L168 PolarHBondContact O-N 2.95Å; L168-L171 PolarHBondContact O-N 3.21Å; L168-L172 HydrophobicContact CG-CD1 4.32Å; L168-L172 WeakPolarHBondContact O-CB 3.25Å; L168-L172 WeakPolarHBondContact O-CG 3.38Å; L168-L172 PolarHBondContact O-N 3.06Å |
| 169 | A | 82.2 | Confident | 69.2 | Low | 54 Ų | 54 | 104.5 Ų | 104.5 | 45% | 0.446 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63 | -44.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | K165 L166 Y167 L171 L172 F173 | K165-A169 VanDerWaalsContact O-CB 3.25Å; K165-A169 WeakPolarHBondContact O-CB 3.27Å; K165-A169 PolarHBondContact O-N 2.88Å; L166-A169 PolarHBondContact O-N 3.31Å; Y167-A169 PolarHBondContact O-N 3.28Å; A169-L171 VanDerWaalsContact C-N 3.34Å; A169-L171 PolarHBondContact O-N 3.12Å; A169-L172 PolarHBondContact O-N 3.13Å; A169-F173 WeakPolarHBondContact O-CB 3.34Å; A169-F173 PolarHBondContact O-N 3.07Å |
| 170 | A | 80.5 | Confident | 68.7 | Low | 64 Ų | 64 | 106 Ų | 106 | 53% | 0.529 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63 | -38.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | L166 Y167 F173 G174 | L166-A170 WeakPolarHBondContact O-CB 3.37Å; L166-A170 PolarHBondContact O-N 3.07Å; Y167-A170 PolarHBondContact O-N 3.41Å; A170-F173 PolarHBondContact O-N 2.98Å; A170-G174 PolarHBondContact O-N 3.15Å |
| 171 | L | 80.3 | Confident | 68 | Low | 80 Ų | 80 | 106.9 Ų | 106.9 | 42% | 0.419 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.7 | -42.7 | 177 | -165.1 | 155.2 | 0 | 0 | 0 | 111.4 | Y167 L168 A169 G174 I175 | Y167-L171 HydrophobicContact CE1-CD1 4.19Å; Y167-L171 WeakPolarHBondContact O-CB 3.44Å; Y167-L171 PolarHBondContact O-N 2.94Å; L168-L171 PolarHBondContact O-N 3.21Å; A169-L171 VanDerWaalsContact C-N 3.34Å; A169-L171 PolarHBondContact O-N 3.12Å; L171-G174 PolarHBondContact O-N 3.03Å; L171-I175 HydrophobicContact CD2-CD1 3.66Å; L171-I175 HydrophobicContact CD2-CG1 4.44Å; L171-I175 WeakPolarHBondContact O-CG1 3.36Å; L171-I175 PolarHBondContact O-N 3.36Å |
| 172 | L | 78.3 | Confident | 66.9 | Low | 106 Ų | 106 | 105.6 Ų | 105.6 | 56% | 0.555 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.2 | -39.6 | 172.9 | -72.3 | 169.8 | 0 | 0 | 0 | 112.2 | L168 A169 I175 A176 | L168-L172 HydrophobicContact CG-CD1 4.32Å; L168-L172 WeakPolarHBondContact O-CB 3.25Å; L168-L172 WeakPolarHBondContact O-CG 3.38Å; L168-L172 PolarHBondContact O-N 3.06Å; A169-L172 PolarHBondContact O-N 3.13Å; L172-I175 PolarHBondContact O-N 3.11Å; L172-A176 WeakPolarHBondContact O-CB 3.41Å; L172-A176 PolarHBondContact O-N 3.17Å |
| 173 | F | 73.8 | Confident | 65.5 | Low | 140 Ų | 140 | 108.9 Ų | 108.9 | 61% | 0.614 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.2 | -42.3 | 174.5 | -137.1 | -109.4 | 0 | 0 | 0 | 111.3 | A169 A170 I175 A176 F177 | A169-F173 WeakPolarHBondContact O-CB 3.34Å; A169-F173 PolarHBondContact O-N 3.07Å; A170-F173 PolarHBondContact O-N 2.98Å; F173-I175 VanDerWaalsContact C-N 3.33Å; F173-I175 PolarHBondContact O-N 3.5Å; F173-A176 PolarHBondContact O-N 3.49Å; F173-F177 AromaticContact CD1-CD2 3.79Å; F173-F177 HydrophobicContact CD1-CD2 3.79Å; F173-F177 AromaticContact CD1-CE2 3.66Å; F173-F177 HydrophobicContact CD1-CE2 3.66Å; F173-F177 AromaticContact CE1-CD2 3.92Å; F173-F177 HydrophobicContact CE1-CD2 3.92Å; F173-F177 AromaticContact CE1-CE2 3.28Å; F173-F177 HydrophobicContact CE1-CE2 3.28Å; F173-F177 AromaticContact CE1-CZ 4Å; F173-F177 HydrophobicContact CE1-CZ 4Å; F173-F177 HydrophobicContact CE2-CE2 4.4Å; F173-F177 HydrophobicContact CG-CD2 4.37Å; F173-F177 HydrophobicContact CG-CE2 4.37Å; F173-F177 AromaticContact CZ-CE2 3.71Å; F173-F177 HydrophobicContact CZ-CE2 3.71Å; F173-F177 HydrophobicContact CZ-CZ 4.41Å; F173-F177 WeakPolarHBondContact O-CD2 3.47Å; F173-F177 PolarHBondContact O-N 3.1Å |
| 174 | G | 73.4 | Confident | 63.7 | Low | 47 Ų | 47 | 117.6 Ų | 117.6 | 49% | 0.485 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -62.5 | -36.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | A170 L171 A178 | A170-G174 PolarHBondContact O-N 3.15Å; L171-G174 PolarHBondContact O-N 3.03Å; G174-A178 WeakPolarHBondContact O-CB 3.43Å; G174-A178 PolarHBondContact O-N 3.34Å |
| 175 | I | 68.2 | Low | 62 | Low | 110 Ų | 110 | 118.7 Ų | 118.7 | 56% | 0.564 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -72.9 | -42.9 | 173.2 | -67.6 | 173.3 | 0 | 0 | 0 | 111 | L171 L172 F173 F177 A178 | L171-I175 HydrophobicContact CD2-CD1 3.66Å; L171-I175 HydrophobicContact CD2-CG1 4.44Å; L171-I175 WeakPolarHBondContact O-CG1 3.36Å; L171-I175 PolarHBondContact O-N 3.36Å; L172-I175 PolarHBondContact O-N 3.11Å; F173-I175 VanDerWaalsContact C-N 3.33Å; F173-I175 PolarHBondContact O-N 3.5Å; I175-F177 PolarHBondContact O-N 2.95Å; I175-A178 PolarHBondContact O-N 3.38Å |
| 176 | A | 59 | Low | 59.8 | Low | 68 Ų | 68 | 123.7 Ų | 123.7 | 56% | 0.562 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -61.9 | -40.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L172 F173 A178 G179 | L172-A176 WeakPolarHBondContact O-CB 3.41Å; L172-A176 PolarHBondContact O-N 3.17Å; F173-A176 PolarHBondContact O-N 3.49Å; A176-A178 PolarHBondContact O-N 3.06Å; A176-G179 PolarHBondContact O-N 3.23Å |
| 177 | F | 57.5 | Low | 57.4 | Low | 166 Ų | 166 | 121 Ų | 121 | 73% | 0.728 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -3.7 | 175.1 | -85.3 | -99.3 | 0 | 0 | 0 | 114.3 | F173 I175 | F173-F177 AromaticContact CD1-CD2 3.79Å; F173-F177 HydrophobicContact CD1-CD2 3.79Å; F173-F177 AromaticContact CD1-CE2 3.66Å; F173-F177 HydrophobicContact CD1-CE2 3.66Å; F173-F177 AromaticContact CE1-CD2 3.92Å; F173-F177 HydrophobicContact CE1-CD2 3.92Å; F173-F177 AromaticContact CE1-CE2 3.28Å; F173-F177 HydrophobicContact CE1-CE2 3.28Å; F173-F177 AromaticContact CE1-CZ 4Å; F173-F177 HydrophobicContact CE1-CZ 4Å; F173-F177 HydrophobicContact CE2-CE2 4.4Å; F173-F177 HydrophobicContact CG-CD2 4.37Å; F173-F177 HydrophobicContact CG-CE2 4.37Å; F173-F177 AromaticContact CZ-CE2 3.71Å; F173-F177 HydrophobicContact CZ-CE2 3.71Å; F173-F177 HydrophobicContact CZ-CZ 4.41Å; F173-F177 WeakPolarHBondContact O-CD2 3.47Å; F173-F177 PolarHBondContact O-N 3.1Å; I175-F177 PolarHBondContact O-N 2.95Å |
| 178 | A | 54.9 | Low | 55.5 | Low | 85 Ų | 85 | 118.4 Ų | 118.4 | 70% | 0.702 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | 5.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | G174 I175 A176 | G174-A178 WeakPolarHBondContact O-CB 3.43Å; G174-A178 PolarHBondContact O-N 3.34Å; I175-A178 PolarHBondContact O-N 3.38Å; A176-A178 PolarHBondContact O-N 3.06Å |
| 179 | G | 38.1 | Very low | 53.2 | Low | 60 Ų | 60 | 116.1 Ų | 116.1 | 62% | 0.619 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -136.5 | 47.1 | -163.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | A176 | A176-G179 PolarHBondContact O-N 3.23Š|
| 180 | D | 42.5 | Very low | 50.8 | Low | 156 Ų | 156 | 120.3 Ų | 120.3 | 83% | 0.834 | 69% | 0.686 | S | S | * | * | | | trans | -145.1 | 17.3 | 172.1 | -132.2 | -20.5 | 0 | 0 | 0 | 114.7 | D182 | D180-D182 PolarHBondContact O-N 2.94Å; D180-D182 VanDerWaalsContact O-N 3.12Å |
| 181 | D | 44.9 | Very low | 48.4 | Very low | 142 Ų | 142 | 120.4 Ų | 120.4 | 76% | 0.759 | 69% | 0.693 | S | S | * | * | | | trans | -88.6 | 39.7 | -174.5 | -121.7 | -19.9 | 0 | 0 | 0 | 113.3 | K183 | D181-K183 PolarHBondContact O-N 3.39Š|
| 182 | D | 39.5 | Very low | 46.1 | Very low | 142 Ų | 142 | 127.3 Ų | 127.3 | 76% | 0.759 | 72% | 0.715 | S | S | * | * | | | trans | -79.9 | 46.4 | -170.8 | -146.1 | 10.9 | 0 | 0 | 0 | 113.2 | D180 | D180-D182 PolarHBondContact O-N 2.94Å; D180-D182 VanDerWaalsContact O-N 3.12Å |
| 183 | K | 39.8 | Very low | 44.2 | Very low | 170 Ų | 170 | 131.8 Ų | 131.8 | 74% | 0.739 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -151.1 | 106.3 | 165.4 | -79.1 | 101.1 | -160.1 | 160.9 | 0 | 112.9 | D181 | D181-K183 PolarHBondContact O-N 3.39Š|
| 184 | R | 32.8 | Very low | 42.4 | Very low | 248 Ų | 248 | 132.7 Ų | 132.7 | 94% | 0.936 | 74% | 0.737 | S | S | * | * | | | trans | 59.9 | 64 | 149.5 | -55.4 | 177.3 | 167.6 | -170.3 | -1.6 | 118.8 | | |
| 185 | L | 37.7 | Very low | 40.7 | Very low | 144 Ų | 144 | 135.9 Ų | 135.9 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | | | trans | -129.7 | 103.3 | 166.3 | -101.8 | 160.4 | 0 | 0 | 0 | 114.8 | G187 | L185-G187 PolarHBondContact O-N 2.59Š|
| 186 | K | 31.8 | Very low | 39.3 | Very low | 213 Ų | 213 | 140 Ų | 140 | 93% | 0.926 | 76% | 0.762 | S | S | * | * | | | trans | -78.2 | 64 | 164.6 | -79.1 | -179 | 173.5 | 174.1 | 0 | 110.5 | V188 | K186-V188 PolarHBondContact O-N 3.37Š|
| 187 | G | 30.3 | Very low | 38 | Very low | 68 Ų | 68 | 144 Ų | 144 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | | | trans | -76.3 | 73.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L185 G189 | L185-G187 PolarHBondContact O-N 2.59Å; G187-G189 PolarHBondContact O-N 3.41Å |
| 188 | V | 39.1 | Very low | 37.1 | Very low | 119 Ų | 119 | 142.7 Ų | 142.7 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | | | trans | -80.4 | 113.5 | 173.1 | -178.9 | 0 | 0 | 0 | 0 | 109.9 | K186 | K186-V188 PolarHBondContact O-N 3.37Š|
| 189 | G | 33 | Very low | 36.1 | Very low | 57 Ų | 57 | 150 Ų | 150 | 59% | 0.588 | 79% | 0.785 | S | S | * | * | | | trans | -60.8 | 147.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | G187 | G187-G189 PolarHBondContact O-N 3.41Š|
| 190 | P | 32 | Very low | 36.1 | Very low | 142 Ų | 142 | 150.8 Ų | 150.8 | 92% | 0.922 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -77 | 125.6 | -173.6 | 30.6 | -34.3 | 0 | 0 | 0 | 111.7 | | |
| 191 | G | 29.1 | Very low | 35.8 | Very low | 65 Ų | 65 | 147.4 Ų | 147.4 | 67% | 0.67 | 79% | 0.788 | S | S | * | * | | | trans | 156.5 | -4.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 192 | Y | 33.3 | Very low | 35.3 | Very low | 225 Ų | 225 | 150 Ų | 150 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | | | trans | -129.9 | 112.4 | -179.7 | -70 | -80.6 | 0 | 0 | 0 | 112.7 | K194 | Y192-K194 PolarHBondContact O-N 3.16Š|
| 193 | E | 38 | Very low | 35.1 | Very low | 201 Ų | 201 | 153.1 Ų | 153.1 | 94% | 0.939 | 80% | 0.799 | S | S | * | * | | | trans | -66.7 | 114.6 | 166.3 | -72.9 | -177 | 123.9 | 0 | 0 | 109.2 | S195 | E193-S195 PolarHBondContact O-N 3.47Å; E193-S195 VanDerWaalsContact O-N 3.17Å |
| 194 | K | 36.2 | Very low | 34.8 | Very low | 158 Ų | 158 | 155.4 Ų | 155.4 | 69% | 0.687 | 81% | 0.809 | S | S | * | * | | | trans | -73.9 | 104.8 | 174 | -70 | -176.3 | 177.8 | -177.5 | 0 | 109.4 | Y192 Y196 | Y192-K194 PolarHBondContact O-N 3.16Å; K194-Y196 HydrophobicContact CB-CD2 4.42Å; K194-Y196 HydrophobicContact CB-CE2 4.25Å; K194-Y196 WeakPolarHBondContact O-CD2 3.34Å; K194-Y196 PolarHBondContact O-N 3.22Å; K194-Y196 VanDerWaalsContact O-N 3.14Å |
| 195 | S | 37 | Very low | 35.1 | Very low | 115 Ų | 115 | 146 Ų | 146 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | -63.5 | 109.1 | 158.8 | 54.9 | 0 | 0 | 0 | 0 | 108.4 | E193 | E193-S195 PolarHBondContact O-N 3.47Å; E193-S195 VanDerWaalsContact O-N 3.17Å |
| 196 | Y | 38 | Very low | 34.8 | Very low | 195 Ų | 195 | 143 Ų | 143 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | | | trans | -66.6 | 149.7 | 173.2 | -85.5 | -105.7 | 0 | 0 | 0 | 110.4 | K194 D198 | K194-Y196 HydrophobicContact CB-CD2 4.42Å; K194-Y196 HydrophobicContact CB-CE2 4.25Å; K194-Y196 WeakPolarHBondContact O-CD2 3.34Å; K194-Y196 PolarHBondContact O-N 3.22Å; K194-Y196 VanDerWaalsContact O-N 3.14Å; Y196-D198 PolarHBondContact O-N 2.65Å |
| 197 | L | 32.4 | Very low | 34.8 | Very low | 153 Ų | 153 | 137.2 Ų | 137.2 | 80% | 0.801 | 79% | 0.785 | S | S | * | * | | | trans | -97.3 | 81.2 | -170.1 | -158.9 | 166.4 | 0 | 0 | 0 | 109.3 | Y199 | L197-Y199 PolarHBondContact O-N 2.67Š|
| 198 | D | 38.3 | Very low | 35.1 | Very low | 139 Ų | 139 | 144.7 Ų | 144.7 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | | | trans | -67.9 | 126.8 | -179.4 | -75 | -31.2 | 0 | 0 | 0 | 111.8 | Y196 A200 | Y196-D198 PolarHBondContact O-N 2.65Å; D198-A200 PolarHBondContact O-N 2.86Å |
| 199 | Y | 34.4 | Very low | 35.1 | Very low | 237 Ų | 237 | 148.3 Ų | 148.3 | 93% | 0.929 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -79.9 | 41.7 | -176.6 | -137.8 | -93 | 0 | 0 | 0 | 112.7 | L197 | L197-Y199 PolarHBondContact O-N 2.67Š|
| 200 | A | 38.8 | Very low | 35.3 | Very low | 78 Ų | 78 | 154.4 Ų | 154.4 | 65% | 0.645 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -141.3 | 107 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | D198 K202 | D198-A200 PolarHBondContact O-N 2.86Å; A200-K202 PolarHBondContact O-N 3.1Å |
| 201 | G | 34.6 | Very low | 35.6 | Very low | 84 Ų | 84 | 154.9 Ų | 154.9 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | | | trans | -66.3 | 95.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 202 | K | 35.3 | Very low | 35.9 | Very low | 197 Ų | 197 | 155.9 Ų | 155.9 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | | | trans | -157.2 | 78.3 | 167.9 | -105.5 | 150.2 | -171.8 | 171.4 | 0 | 112.2 | A200 K204 | A200-K202 PolarHBondContact O-N 3.1Å; K202-K204 PolarHBondContact O-N 3.07Å |
| 203 | F | 35.8 | Very low | 35.9 | Very low | 208 Ų | 208 | 152.9 Ų | 152.9 | 91% | 0.912 | 80% | 0.795 | S | S | * | * | | | trans | -70.4 | 109.2 | 179 | -122 | -95.5 | 0 | 0 | 0 | 112.2 | | |
| 204 | K | 33.6 | Very low | 35.5 | Very low | 217 Ų | 217 | 153 Ų | 153 | 94% | 0.943 | 79% | 0.788 | S | S | * | * | | | trans | -114.5 | 61.3 | 167.4 | -78.7 | -171.8 | 173.7 | -179 | 0 | 111 | K202 | K202-K204 PolarHBondContact O-N 3.07Š|
| 205 | G | 38 | Very low | 35.2 | Very low | 50 Ų | 50 | 154.1 Ų | 154.1 | 52% | 0.515 | 80% | 0.796 | S | S | . | * | | | trans | -132.4 | 124.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A207 | G205-A207 PolarHBondContact O-N 2.93Š|
| 206 | G | 31.1 | Very low | 35 | Very low | 81 Ų | 81 | 157.5 Ų | 157.5 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | | | trans | -75.9 | 104.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R208 | G206-R208 PolarHBondContact O-N 2.85Š|
| 207 | A | 33.2 | Very low | 34.7 | Very low | 93 Ų | 93 | 157 Ų | 157 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | | | trans | -68.3 | 96.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | G205 K209 | G205-A207 PolarHBondContact O-N 2.93Å; A207-K209 PolarHBondContact O-N 2.99Å |
| 208 | R | 36.1 | Very low | 34.5 | Very low | 224 Ų | 224 | 154.8 Ų | 154.8 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | | | trans | -80.5 | 92.6 | 161 | -81.8 | -172.8 | 167.4 | -166.1 | -3.5 | 109.9 | G206 F210 | G206-R208 PolarHBondContact O-N 2.85Å; R208-F210 PolarHBondContact O-N 3.43Å |
| 209 | K | 40.2 | Very low | 34.2 | Very low | 195 Ų | 195 | 153.2 Ų | 153.2 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | | | trans | -66.7 | 110.5 | 167 | -65.8 | -174.1 | 178 | -174.5 | 0 | 109.3 | A207 | A207-K209 PolarHBondContact O-N 2.99Š|
| 210 | F | 35.8 | Very low | 34.1 | Very low | 186 Ų | 186 | 149.1 Ų | 149.1 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 127.6 | 158.4 | -75.6 | -93.9 | 0 | 0 | 0 | 107.8 | R208 | R208-F210 PolarHBondContact O-N 3.43Š|
| 211 | L | 38.9 | Very low | 33.6 | Very low | 152 Ų | 152 | 154.3 Ų | 154.3 | 80% | 0.796 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 138 | 168 | -76.9 | 164.4 | 0 | 0 | 0 | 108.4 | I213 | L211-I213 PolarHBondContact O-N 3.18Š|
| 212 | P | 34.3 | Very low | 33.4 | Very low | 85 Ų | 85 | 158.5 Ų | 158.5 | 55% | 0.552 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 133.3 | 172 | 26.6 | -33.7 | 0 | 0 | 0 | 109.9 | Y214 | P212-Y214 HydrophobicContact CB-CE2 4.28Å; P212-Y214 HydrophobicContact CG-CD2 4.28Å; P212-Y214 HydrophobicContact CG-CE2 3.65Å; P212-Y214 PolarHBondContact O-N 3.2Å; P212-Y214 VanDerWaalsContact O-N 3.15Å |
| 213 | I | 35 | Very low | 33.2 | Very low | 163 Ų | 163 | 157.5 Ų | 157.5 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | | | trans | -82.3 | 92.1 | 175 | -57.2 | 177 | 0 | 0 | 0 | 107.3 | L211 Q215 | L211-I213 PolarHBondContact O-N 3.18Å; I213-Q215 PolarHBondContact O-N 3.14Å; I213-Q215 VanDerWaalsContact O-N 3.1Å |
| 214 | Y | 28.8 | Very low | 32.9 | Very low | 202 Ų | 202 | 154.8 Ų | 154.8 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | | | trans | -69.1 | 102 | 166.5 | -67.4 | -81.2 | 0 | 0 | 0 | 108.9 | P212 K216 | P212-Y214 HydrophobicContact CB-CE2 4.28Å; P212-Y214 HydrophobicContact CG-CD2 4.28Å; P212-Y214 HydrophobicContact CG-CE2 3.65Å; P212-Y214 PolarHBondContact O-N 3.2Å; P212-Y214 VanDerWaalsContact O-N 3.15Å; Y214-K216 PolarHBondContact O-N 2.88Å |
| 215 | Q | 30 | Very low | 32.8 | Very low | 183 Ų | 183 | 149.9 Ų | 149.9 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | | | trans | -68.4 | 117.7 | 152.9 | -79.2 | -179.7 | -76.3 | 0 | 0 | 106.9 | I213 | I213-Q215 PolarHBondContact O-N 3.14Å; I213-Q215 VanDerWaalsContact O-N 3.1Å |
| 216 | K | 32.6 | Very low | 32.5 | Very low | 185 Ų | 185 | 153.4 Ų | 153.4 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -95.1 | 104.3 | 171.2 | -170.5 | -177.4 | -176.8 | -171.1 | 0 | 106.7 | Y214 V218 | Y214-K216 PolarHBondContact O-N 2.88Å; K216-V218 PolarHBondContact O-N 3.18Å |
| 217 | E | 31.9 | Very low | 32.7 | Very low | 184 Ų | 184 | 158.8 Ų | 158.8 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | | | trans | -60.9 | 127.8 | 169.1 | -69.4 | 173.4 | 167 | 0 | 0 | 108.3 | | |
| 218 | V | 28 | Very low | 32.3 | Very low | 108 Ų | 108 | 158.3 Ų | 158.3 | 66% | 0.655 | 78% | 0.784 | S | S | * | * | | | trans | -109.3 | 88.1 | 173.8 | -174.6 | 0 | 0 | 0 | 0 | 105.7 | K216 E220 | K216-V218 PolarHBondContact O-N 3.18Å; V218-E220 VanDerWaalsContact C-N 3.31Å; V218-E220 HydrophobicContact CG1-CG 3.97Å; V218-E220 PolarHBondContact O-N 3.15Å |
| 219 | S | 31.2 | Very low | 31.9 | Very low | 106 Ų | 106 | 151.5 Ų | 151.5 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | | | trans | -70.5 | 88.6 | 170.5 | 52.9 | 0 | 0 | 0 | 0 | 108.7 | E221 | S219-E221 PolarHBondContact O-N 3.21Å; S219-E221 VanDerWaalsContact O-N 3.15Å |
| 220 | E | 32.7 | Very low | 31.1 | Very low | 151 Ų | 151 | 149 Ų | 149 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | | | trans | -70.6 | 105.1 | 171.8 | -67.9 | -171.7 | 161.8 | 0 | 0 | 109.3 | V218 K222 | V218-E220 VanDerWaalsContact C-N 3.31Å; V218-E220 HydrophobicContact CG1-CG 3.97Å; V218-E220 PolarHBondContact O-N 3.15Å; E220-K222 PolarHBondContact O-N 3.37Å; E220-K222 VanDerWaalsContact O-N 3.15Å |
| 221 | E | 28.9 | Very low | 30.7 | Very low | 187 Ų | 187 | 143.3 Ų | 143.3 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | | | trans | -61.6 | 110.5 | 175.7 | -63.4 | 172.3 | 147.4 | 0 | 0 | 109.8 | S219 | S219-E221 PolarHBondContact O-N 3.21Å; S219-E221 VanDerWaalsContact O-N 3.15Å |
| 222 | K | 30.1 | Very low | 30.3 | Very low | 171 Ų | 171 | 140.8 Ų | 140.8 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | | | trans | -100 | 93.3 | 174 | -71.4 | -173.4 | 178.4 | -179.3 | 0 | 110 | E220 I224 | E220-K222 PolarHBondContact O-N 3.37Å; E220-K222 VanDerWaalsContact O-N 3.15Å; K222-I224 PolarHBondContact O-N 3.09Å |
| 223 | E | 31.9 | Very low | 30 | Very low | 176 Ų | 176 | 144.7 Ų | 144.7 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | | | trans | -58.7 | 118 | 167.4 | -76.6 | -165.8 | 111.7 | 0 | 0 | 110.5 | V225 | E223-V225 VanDerWaalsContact C-N 3.32Å; E223-V225 HydrophobicContact CB-CG2 4.03Å; E223-V225 PolarHBondContact O-N 3.14Å |
| 224 | I | 28.9 | Very low | 29.8 | Very low | 152 Ų | 152 | 144.3 Ų | 144.3 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | | | trans | -84.3 | 78.9 | 175.2 | -63.2 | 174.7 | 0 | 0 | 0 | 108.4 | K222 V226 | K222-I224 PolarHBondContact O-N 3.09Å; I224-V226 VanDerWaalsContact C-N 3.3Å; I224-V226 HydrophobicContact CG2-CG2 3.77Å; I224-V226 PolarHBondContact O-N 3.34Å |
| 225 | V | 32.4 | Very low | 29.9 | Very low | 113 Ų | 113 | 142 Ų | 142 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | | | trans | -76.8 | 78.2 | 178 | -173 | 0 | 0 | 0 | 0 | 110.6 | E223 K227 | E223-V225 VanDerWaalsContact C-N 3.32Å; E223-V225 HydrophobicContact CB-CG2 4.03Å; E223-V225 PolarHBondContact O-N 3.14Å; V225-K227 PolarHBondContact O-N 2.92Å |
| 226 | V | 30.9 | Very low | 29.9 | Very low | 125 Ų | 125 | 139.2 Ų | 139.2 | 76% | 0.758 | 77% | 0.77 | S | S | * | * | | | trans | -82 | 94.3 | 170.4 | 177.1 | 0 | 0 | 0 | 0 | 109.7 | I224 | I224-V226 VanDerWaalsContact C-N 3.3Å; I224-V226 HydrophobicContact CG2-CG2 3.77Å; I224-V226 PolarHBondContact O-N 3.34Å |
| 227 | K | 34.3 | Very low | 30.1 | Very low | 194 Ų | 194 | 139 Ų | 139 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | | | trans | -127.7 | 112.2 | 157.8 | -76.2 | -173 | 176.4 | 177.3 | 0 | 109 | V225 | V225-K227 PolarHBondContact O-N 2.92Š|
| 228 | G | 25.9 | Very low | 30.3 | Very low | 83 Ų | 83 | 137.7 Ų | 137.7 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | | | trans | -74.7 | 152.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 229 | G | 27.5 | Very low | 30.4 | Very low | 81 Ų | 81 | 140.8 Ų | 140.8 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | | | trans | -174.5 | 116.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 230 | C | 23.1 | Very low | 30.5 | Very low | 143 Ų | 143 | 141.6 Ų | 141.6 | 97% | 0.966 | 77% | 0.771 | S | S | * | * | | | trans | -87.3 | 145.6 | -177.2 | -175.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 231 | G | 27.5 | Very low | 30.4 | Very low | 66 Ų | 66 | 145 Ų | 145 | 68% | 0.68 | 78% | 0.777 | S | S | * | * | | | trans | 145.2 | 134 | 156.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 232 | A | 30.5 | Very low | 30.8 | Very low | 99 Ų | 99 | 144.8 Ų | 144.8 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | | | trans | 50 | 119.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 233 | K | 28.5 | Very low | 31.1 | Very low | 167 Ų | 167 | 145.2 Ų | 145.2 | 73% | 0.726 | 78% | 0.778 | S | S | * | * | | | | 71.6 | 131.3 | 67.9 | -94.1 | -172.5 | 152.2 | -125.8 | 0 | 116.2 | | |
| 234 | E | 30.3 | Very low | 31 | Very low | 154 Ų | 154 | 148.8 Ų | 148.8 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | | | trans | 71.1 | 145.6 | 156.7 | -73.2 | 144.6 | -174.9 | 0 | 0 | 116.8 | | |
| 235 | E | 31.6 | Very low | 31.3 | Very low | 153 Ų | 153 | 147.7 Ų | 147.7 | 72% | 0.715 | 79% | 0.788 | S | S | * | * | | | cis | -148.4 | 175.9 | 4.3 | -147.7 | -167.5 | -150.8 | 0 | 0 | 112 | K237 | E235-K237 IonicContact OE2-NZ 2.6Å; E235-K237 PolarHBondContact OE2-NZ 3.14Å |
| 236 | E | 30.1 | Very low | 31.4 | Very low | 125 Ų | 125 | 148.2 Ų | 148.2 | 58% | 0.584 | 80% | 0.797 | S | S | * | * | | | trans | -59 | 150.8 | 170.7 | -64.4 | -171.6 | 107.5 | 0 | 0 | 113.5 | K238 | E236-K238 WeakPolarHBondContact OE1-CE 3.42Å; E236-K238 IonicContact OE1-NZ 3.68Å; E236-K238 PolarHBondContact OE1-NZ 3.21Å; E236-K238 IonicContact OE2-NZ 2.59Å; E236-K238 PolarHBondContact OE2-NZ 3.35Å |
| 237 | K | 36.3 | Very low | 31.5 | Very low | 182 Ų | 182 | 146.3 Ų | 146.3 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | | | | -151.3 | 162.1 | 128.4 | -103.5 | 115.8 | -138.9 | 131.3 | 0 | 112.1 | E235 | E235-K237 IonicContact OE2-NZ 2.6Å; E235-K237 PolarHBondContact OE2-NZ 3.14Å |
| 238 | K | 34.9 | Very low | 31.3 | Very low | 156 Ų | 156 | 140.9 Ų | 140.9 | 68% | 0.678 | 80% | 0.801 | S | S | * | * | | | trans | -113.3 | 166.3 | -156.9 | -66.9 | 173.3 | 170.4 | 100.2 | 0 | 113.2 | E236 | E236-K238 WeakPolarHBondContact OE1-CE 3.42Å; E236-K238 IonicContact OE1-NZ 3.68Å; E236-K238 PolarHBondContact OE1-NZ 3.21Å; E236-K238 IonicContact OE2-NZ 2.59Å; E236-K238 PolarHBondContact OE2-NZ 3.35Å |
| 239 | E | 31.1 | Very low | 31.6 | Very low | 173 Ų | 173 | 146.6 Ų | 146.6 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | | | trans | -54.5 | 143.2 | -179.7 | -52.7 | 175.8 | 134.9 | 0 | 0 | 114.6 | | |
| 240 | P | 33.6 | Very low | 31.7 | Very low | 123 Ų | 123 | 147.8 Ų | 147.8 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | | | trans | -87.8 | 105.9 | 158.4 | 32.7 | -28.7 | 0 | 0 | 0 | 111.3 | E242 | P240-E242 PolarHBondContact O-N 3Š|
| 241 | R | 29.2 | Very low | 32.3 | Very low | 222 Ų | 222 | 146.9 Ų | 146.9 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | | | trans | -71.9 | 112.3 | 167.2 | -80.7 | 177.2 | 165.3 | -177.7 | -3.9 | 111.3 | K243 | R241-K243 PolarHBondContact O-N 3.4Å; R241-K243 VanDerWaalsContact O-N 3.11Å |
| 242 | E | 39 | Very low | 32.6 | Very low | 183 Ų | 183 | 151.5 Ų | 151.5 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | | | trans | -84 | 87.2 | 168.1 | -71.1 | -115.6 | 100.1 | 0 | 0 | 111.9 | P240 | P240-E242 PolarHBondContact O-N 3Š|
| 243 | K | 36.7 | Very low | 33.1 | Very low | 180 Ų | 180 | 154.8 Ų | 154.8 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | | | trans | 12.6 | 123.5 | 145.7 | -62.3 | 166.2 | -174.1 | 168.3 | 0 | 118.1 | R241 | R241-K243 PolarHBondContact O-N 3.4Å; R241-K243 VanDerWaalsContact O-N 3.11Å |
| 244 | R | 28.6 | Very low | 33.2 | Very low | 251 Ų | 251 | 158.1 Ų | 158.1 | 95% | 0.947 | 81% | 0.812 | S | S | * | * | | | trans | -59.3 | 139.3 | 151.8 | -62.1 | 171.6 | 177.6 | 162.2 | -3.1 | 109.7 | | |
| 245 | C | 34.6 | Very low | 33.4 | Very low | 129 Ų | 129 | 154.9 Ų | 154.9 | 87% | 0.872 | 82% | 0.82 | S | S | * | * | | | trans | -113.7 | 144.2 | 156.5 | -78.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 246 | S | 34.7 | Very low | 33.4 | Very low | 124 Ų | 124 | 154.2 Ų | 154.2 | 87% | 0.867 | 83% | 0.826 | S | S | * | * | | | trans | -113.4 | 148.3 | -176 | 52 | 0 | 0 | 0 | 0 | 111.5 | | |
| 247 | G | 32.7 | Very low | 33.4 | Very low | 84 Ų | 84 | 151.3 Ų | 151.3 | 87% | 0.866 | 83% | 0.83 | S | S | * | * | | | trans | 94.4 | 156.1 | -169.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 248 | G | 31 | Very low | 33.3 | Very low | 80 Ų | 80 | 149.2 Ų | 149.2 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | | | cis | -139.7 | -176.1 | -2.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 249 | K | 31.6 | Very low | 33.1 | Very low | 203 Ų | 203 | 144.9 Ų | 144.9 | 88% | 0.883 | 84% | 0.835 | S | S | * | * | | | trans | -74.6 | 147.9 | -177.3 | -65.6 | 177.2 | -179.8 | 175.3 | 0 | 112.3 | | |
| 250 | S | 30 | Very low | 33.3 | Very low | 106 Ų | 106 | 148 Ų | 148 | 74% | 0.741 | 84% | 0.841 | S | S | * | * | | | trans | 47.4 | 107.1 | 148.9 | 58 | 0 | 0 | 0 | 0 | 119.1 | | |
| 251 | C | 36.5 | Very low | 33.5 | Very low | 124 Ų | 124 | 151.5 Ų | 151.5 | 84% | 0.838 | 85% | 0.846 | S | S | * | * | | | trans | -157.3 | 119.7 | 145.8 | -111.5 | 0 | 0 | 0 | 0 | 110.3 | L253 | C251-L253 PolarHBondContact O-N 3.15Š|
| 252 | D | 33.7 | Very low | 33.9 | Very low | 163 Ų | 163 | 148.8 Ų | 148.8 | 87% | 0.872 | 84% | 0.841 | S | S | * | * | | | trans | -77.2 | 107.2 | 177 | -62.5 | -94.1 | 0 | 0 | 0 | 111.5 | | |
| 253 | L | 40.9 | Very low | 33.7 | Very low | 169 Ų | 169 | 145.6 Ų | 145.6 | 89% | 0.885 | 84% | 0.839 | S | S | * | * | | | trans | -130.4 | 132.6 | 168.2 | -77.2 | 179 | 0 | 0 | 0 | 112.8 | C251 G255 | C251-L253 PolarHBondContact O-N 3.15Å; L253-G255 PolarHBondContact O-N 3.38Å |
| 254 | R | 30.5 | Very low | 33.9 | Very low | 237 Ų | 237 | 145.7 Ų | 145.7 | 89% | 0.894 | 84% | 0.836 | S | S | * | * | | | trans | -84.5 | 103.4 | -173.1 | -61.9 | 173.2 | -178.7 | 172 | 0.1 | 110.7 | V256 | R254-V256 HydrophobicContact CB-CG2 4.26Å; R254-V256 PolarHBondContact O-N 3.02Å |
| 255 | G | 34.3 | Very low | 34.2 | Very low | 85 Ų | 85 | 141.2 Ų | 141.2 | 88% | 0.876 | 83% | 0.829 | S | S | * | * | | | trans | -75.7 | 108 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | L253 | L253-G255 PolarHBondContact O-N 3.38Š|
| 256 | V | 32.5 | Very low | 34.5 | Very low | 139 Ų | 139 | 141.1 Ų | 141.1 | 84% | 0.842 | 82% | 0.82 | S | S | * | * | | | trans | -115.3 | 122.3 | 178.8 | 178.3 | 0 | 0 | 0 | 0 | 110.4 | R254 | R254-V256 HydrophobicContact CB-CG2 4.26Å; R254-V256 PolarHBondContact O-N 3.02Å |
| 257 | G | 28.7 | Very low | 34.7 | Very low | 65 Ų | 65 | 146.5 Ų | 146.5 | 67% | 0.67 | 82% | 0.823 | S | S | * | * | | | trans | 156.4 | 147.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 258 | P | 35.6 | Very low | 35.6 | Very low | 137 Ų | 137 | 149.2 Ų | 149.2 | 89% | 0.89 | 82% | 0.818 | S | S | * | * | | | cis | -132.1 | 176.3 | -29.2 | 39.1 | -24.9 | 0 | 0 | 0 | 112.8 | | |
| 259 | G | 29.8 | Very low | 36 | Very low | 66 Ų | 66 | 148.7 Ų | 148.7 | 68% | 0.68 | 81% | 0.812 | S | S | * | * | | | trans | 102.5 | 60 | 150.9 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 260 | Y | 35.3 | Very low | 36.5 | Very low | 239 Ų | 239 | 146.9 Ų | 146.9 | 94% | 0.937 | 81% | 0.807 | S | S | * | * | | | trans | -129.8 | 123.8 | 147.8 | -77.7 | -70 | 0 | 0 | 0 | 110.9 | | |
| 261 | E | 38.7 | Very low | 36.9 | Very low | 195 Ų | 195 | 151.5 Ų | 151.5 | 91% | 0.911 | 81% | 0.814 | S | S | * | * | | | trans | -81 | 135.7 | -175.6 | -164 | 166.1 | -142.8 | 0 | 0 | 110.5 | S263 | E261-S263 PolarHBondContact O-N 3.44Š|
| 262 | K | 36.1 | Very low | 37.1 | Very low | 165 Ų | 165 | 154.7 Ų | 154.7 | 72% | 0.717 | 81% | 0.813 | S | S | * | * | | | trans | -78.5 | 116 | -171.9 | -67.4 | 178.4 | 178.7 | 176.4 | 0 | 111.9 | Y264 | K262-Y264 HydrophobicContact CB-CD2 4.33Å; K262-Y264 HydrophobicContact CB-CE2 4.06Å; K262-Y264 HydrophobicContact CD-CE2 3.89Å |
| 263 | S | 36.4 | Very low | 37.2 | Very low | 117 Ų | 117 | 150 Ų | 150 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -90.5 | 113 | 154 | 58.8 | 0 | 0 | 0 | 0 | 109.5 | E261 | E261-S263 PolarHBondContact O-N 3.44Š|
| 264 | Y | 40.4 | Very low | 36.8 | Very low | 182 Ų | 182 | 145.1 Ų | 145.1 | 71% | 0.714 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 161.6 | 170.4 | -77.9 | -93.7 | 0 | 0 | 0 | 111.1 | K262 | K262-Y264 HydrophobicContact CB-CD2 4.33Å; K262-Y264 HydrophobicContact CB-CE2 4.06Å; K262-Y264 HydrophobicContact CD-CE2 3.89Å |
| 265 | L | 34.8 | Very low | 37 | Very low | 156 Ų | 156 | 138.7 Ų | 138.7 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 118.3 | -179.7 | -96 | 156.3 | 0 | 0 | 0 | 110.2 | | |
| 266 | D | 41.3 | Very low | 37.2 | Very low | 127 Ų | 127 | 145.2 Ų | 145.2 | 68% | 0.679 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 142.3 | 166.1 | -58.4 | -38.7 | 0 | 0 | 0 | 109.8 | D268 | D266-D268 VanDerWaalsContact C-N 3.26Å; D266-D268 PolarHBondContact O-N 3.15Å |
| 267 | Y | 38.8 | Very low | 37.5 | Very low | 238 Ų | 238 | 148.5 Ų | 148.5 | 93% | 0.933 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -10.4 | -174.7 | -93.8 | -98.7 | 0 | 0 | 0 | 114.6 | G269 | Y267-G269 VanDerWaalsContact C-N 3.29Å; Y267-G269 PolarHBondContact O-N 3.43Å |
| 268 | D | 51.2 | Low | 37.9 | Very low | 140 Ų | 140 | 154.4 Ų | 154.4 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | 19.9 | -171.7 | -57.5 | -44.2 | 0 | 0 | 0 | 115.1 | D266 H270 | D266-D268 VanDerWaalsContact C-N 3.26Å; D266-D268 PolarHBondContact O-N 3.15Å; D268-H270 PolarHBondContact O-N 3.16Å |
| 269 | G | 39.7 | Very low | 38.1 | Very low | 69 Ų | 69 | 155.3 Ų | 155.3 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | | | trans | 65.7 | 12.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | Y267 | Y267-G269 VanDerWaalsContact C-N 3.29Å; Y267-G269 PolarHBondContact O-N 3.43Å |
| 270 | H | 42.1 | Very low | 38.3 | Very low | 166 Ų | 166 | 156.3 Ų | 156.3 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | | | trans | -98.4 | 99.3 | -175.7 | -83.1 | 0.7 | 0 | 0 | 0 | 113.9 | D268 K272 | D268-H270 PolarHBondContact O-N 3.16Å; H270-K272 PolarHBondContact O-N 3.29Å |
| 271 | F | 37.8 | Very low | 38.3 | Very low | 202 Ų | 202 | 152.7 Ų | 152.7 | 89% | 0.886 | 79% | 0.787 | S | S | * | * | | | trans | -70.6 | 82.4 | -177.8 | -126.7 | -84.9 | 0 | 0 | 0 | 113.6 | G273 | F271-G273 PolarHBondContact O-N 3.49Š|
| 272 | K | 40.1 | Very low | 37.8 | Very low | 191 Ų | 191 | 152.9 Ų | 152.9 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | | | trans | -74.6 | 72.2 | 170.7 | -73.1 | 174.9 | -176.1 | 161.8 | 0 | 111.3 | H270 G274 | H270-K272 PolarHBondContact O-N 3.29Å; K272-G274 PolarHBondContact O-N 3.42Å; K272-G274 VanDerWaalsContact O-N 3.15Å |
| 273 | G | 36 | Very low | 37.5 | Very low | 64 Ų | 64 | 153.7 Ų | 153.7 | 66% | 0.66 | 79% | 0.787 | S | S | * | * | | | trans | -64.5 | 106.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | F271 | F271-G273 PolarHBondContact O-N 3.49Š|
| 274 | G | 32.5 | Very low | 37.4 | Very low | 67 Ų | 67 | 156.9 Ų | 156.9 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | | | trans | -0.1 | 119.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 120.3 | K272 R276 | K272-G274 PolarHBondContact O-N 3.42Å; K272-G274 VanDerWaalsContact O-N 3.15Å; G274-R276 PolarHBondContact O-N 3.27Å; G274-R276 VanDerWaalsContact O-N 3.12Å |
| 275 | A | 35.4 | Very low | 37.1 | Very low | 103 Ų | 103 | 156.9 Ų | 156.9 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | | | trans | -67.2 | 104.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K277 | A275-K277 PolarHBondContact O-N 3.02Å; A275-K277 VanDerWaalsContact O-N 3.12Å |
| 276 | R | 37.9 | Very low | 36.9 | Very low | 222 Ų | 222 | 154.7 Ų | 154.7 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | | | trans | -67.2 | 106.8 | 171.3 | -77.5 | -175.8 | 168.5 | -170.6 | -4.6 | 110.7 | G274 F278 | G274-R276 PolarHBondContact O-N 3.27Å; G274-R276 VanDerWaalsContact O-N 3.12Å; R276-F278 PolarHBondContact O-N 3.34Å |
| 277 | K | 39 | Very low | 36.6 | Very low | 208 Ų | 208 | 153.5 Ų | 153.5 | 90% | 0.904 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 121.6 | 161.5 | -65.2 | 179.1 | -178 | 175 | 0 | 108.2 | A275 | A275-K277 PolarHBondContact O-N 3.02Å; A275-K277 VanDerWaalsContact O-N 3.12Å |
| 278 | F | 36.4 | Very low | 36.5 | Very low | 189 Ų | 189 | 150.2 Ų | 150.2 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 128.5 | 165.6 | -75.7 | -98.1 | 0 | 0 | 0 | 108.1 | R276 | R276-F278 PolarHBondContact O-N 3.34Š|
| 279 | L | 40.1 | Very low | 35.7 | Very low | 155 Ų | 155 | 152 Ų | 152 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 141.6 | 165.1 | -74.6 | 163.5 | 0 | 0 | 0 | 108.7 | I281 | L279-I281 PolarHBondContact O-N 3.35Š|
| 280 | P | 34 | Very low | 35.5 | Very low | 87 Ų | 87 | 157.6 Ų | 157.6 | 57% | 0.565 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 130.9 | 175.3 | 26 | -33.1 | 0 | 0 | 0 | 110.2 | Y282 | P280-Y282 HydrophobicContact CB-CE2 4.36Å; P280-Y282 HydrophobicContact CG-CE2 3.82Å; P280-Y282 PolarHBondContact O-N 3.36Å |
| 281 | I | 35.7 | Very low | 35.1 | Very low | 163 Ų | 163 | 157.7 Ų | 157.7 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | | | trans | -86.6 | 100.3 | 173.6 | -59.3 | 174.5 | 0 | 0 | 0 | 107 | L279 Q283 | L279-I281 PolarHBondContact O-N 3.35Å; I281-Q283 PolarHBondContact O-N 3.15Å |
| 282 | Y | 28 | Very low | 34.7 | Very low | 200 Ų | 200 | 154.8 Ų | 154.8 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | | | trans | -68.6 | 111.5 | 173.3 | -65 | -88.7 | 0 | 0 | 0 | 109.8 | P280 K284 | P280-Y282 HydrophobicContact CB-CE2 4.36Å; P280-Y282 HydrophobicContact CG-CE2 3.82Å; P280-Y282 PolarHBondContact O-N 3.36Å; Y282-K284 PolarHBondContact O-N 2.96Å |
| 283 | Q | 31.1 | Very low | 34.4 | Very low | 182 Ų | 182 | 149.5 Ų | 149.5 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | | | trans | -74.7 | 97.7 | 159 | -79.3 | -172.8 | -31.3 | 0 | 0 | 108 | I281 Q285 | I281-Q283 PolarHBondContact O-N 3.15Å; Q283-Q285 PolarHBondContact O-N 2.6Å; Q283-Q285 VanDerWaalsContact O-N 3.14Å |
| 284 | K | 34.2 | Very low | 34.6 | Very low | 184 Ų | 184 | 152.7 Ų | 152.7 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | | | trans | -71.9 | 103.1 | 166.3 | -168.7 | 177.9 | -169.4 | -174.3 | 0 | 107.5 | Y282 V286 | Y282-K284 PolarHBondContact O-N 2.96Å; K284-V286 PolarHBondContact O-N 3.02Å |
| 285 | Q | 32.6 | Very low | 34.8 | Very low | 181 Ų | 181 | 158.2 Ų | 158.2 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | | | trans | -63.3 | 126.9 | 163.6 | -69.7 | -177.3 | -2.8 | 0 | 0 | 107.5 | Q283 | Q283-Q285 PolarHBondContact O-N 2.6Å; Q283-Q285 VanDerWaalsContact O-N 3.14Å |
| 286 | V | 30.6 | Very low | 34.5 | Very low | 111 Ų | 111 | 156.6 Ų | 156.6 | 67% | 0.673 | 77% | 0.77 | S | S | * | * | | | trans | -104.5 | 105.1 | 171.1 | -179.7 | 0 | 0 | 0 | 0 | 105.4 | K284 E288 | K284-V286 PolarHBondContact O-N 3.02Å; V286-E288 PolarHBondContact O-N 2.93Å |
| 287 | S | 35.9 | Very low | 33.9 | Very low | 101 Ų | 101 | 150.2 Ų | 150.2 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | | | trans | -67.9 | 115.2 | 163.5 | 48.3 | 0 | 0 | 0 | 0 | 107.7 | E289 | S287-E289 PolarHBondContact O-N 3.48Å; S287-E289 VanDerWaalsContact O-N 3.13Å |
| 288 | E | 36.8 | Very low | 33.5 | Very low | 169 Ų | 169 | 145 Ų | 145 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | | | trans | -71.9 | 106.5 | 177.4 | -67.3 | -175.4 | 151.4 | 0 | 0 | 109.8 | V286 K290 | V286-E288 PolarHBondContact O-N 2.93Å; E288-K290 PolarHBondContact O-N 3.26Å; E288-K290 VanDerWaalsContact O-N 3.07Å |
| 289 | E | 34.5 | Very low | 33.3 | Very low | 177 Ų | 177 | 145.6 Ų | 145.6 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | | | trans | -67.9 | 103.2 | 175.7 | -66.2 | 179.8 | 150.2 | 0 | 0 | 109.2 | S287 E291 | S287-E289 PolarHBondContact O-N 3.48Å; S287-E289 VanDerWaalsContact O-N 3.13Å; E289-E291 VanDerWaalsContact C-N 3.3Å; E289-E291 PolarHBondContact O-N 3.26Å |
| 290 | K | 34.6 | Very low | 33.1 | Very low | 188 Ų | 188 | 145.5 Ų | 145.5 | 82% | 0.817 | 77% | 0.766 | S | S | * | * | | | trans | -74.2 | 81.4 | 176.9 | -70.7 | -177.2 | 178.5 | 176.8 | 0 | 110.6 | E288 I292 | E288-K290 PolarHBondContact O-N 3.26Å; E288-K290 VanDerWaalsContact O-N 3.07Å; K290-I292 PolarHBondContact O-N 3.1Å; K290-I292 VanDerWaalsContact O-N 3.1Å |
| 291 | E | 34.1 | Very low | 33.1 | Very low | 167 Ų | 167 | 149.1 Ų | 149.1 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | | | trans | -66.1 | 104.8 | 173.2 | -167.5 | -177.1 | -158.6 | 0 | 0 | 110.5 | E289 V293 | E289-E291 VanDerWaalsContact C-N 3.3Å; E289-E291 PolarHBondContact O-N 3.26Å; E291-V293 VanDerWaalsContact C-N 3.33Å; E291-V293 HydrophobicContact CG-CG2 3.86Å; E291-V293 PolarHBondContact O-N 3.32Å |
| 292 | I | 29.5 | Very low | 33.2 | Very low | 142 Ų | 142 | 149.1 Ų | 149.1 | 73% | 0.728 | 77% | 0.769 | S | S | * | * | | | trans | -80.6 | 80.9 | -179.1 | -51.7 | -178.3 | 0 | 0 | 0 | 109.7 | K290 V294 | K290-I292 PolarHBondContact O-N 3.1Å; K290-I292 VanDerWaalsContact O-N 3.1Å; I292-V294 HydrophobicContact CG2-CG2 3.99Å; I292-V294 PolarHBondContact O-N 3.46Å |
| 293 | V | 34.7 | Very low | 33.7 | Very low | 79 Ų | 79 | 149.3 Ų | 149.3 | 48% | 0.479 | 77% | 0.774 | S | S | . | * | | | trans | -74.5 | 88.5 | 177.7 | -178 | 0 | 0 | 0 | 0 | 110.7 | E291 K295 | E291-V293 VanDerWaalsContact C-N 3.33Å; E291-V293 HydrophobicContact CG-CG2 3.86Å; E291-V293 PolarHBondContact O-N 3.32Å; V293-K295 VanDerWaalsContact C-N 3.28Å; V293-K295 HydrophobicContact CG1-CD 4.02Å; V293-K295 HydrophobicContact CG1-CG 3.92Å; V293-K295 PolarHBondContact O-N 3.41Å |
| 294 | V | 39.4 | Very low | 33.9 | Very low | 131 Ų | 131 | 149.6 Ų | 149.6 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | | | trans | -73.9 | 78.9 | 174.6 | -173 | 0 | 0 | 0 | 0 | 110.6 | I292 G296 | I292-V294 HydrophobicContact CG2-CG2 3.99Å; I292-V294 PolarHBondContact O-N 3.46Å; V294-G296 PolarHBondContact O-N 3.15Å |
| 295 | K | 36 | Very low | 34 | Very low | 184 Ų | 184 | 147 Ų | 147 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | | | trans | -77.8 | 95.9 | 171.8 | -91.8 | 170 | -178.5 | 172.7 | 0 | 110.9 | V293 | V293-K295 VanDerWaalsContact C-N 3.28Å; V293-K295 HydrophobicContact CG1-CD 4.02Å; V293-K295 HydrophobicContact CG1-CG 3.92Å; V293-K295 PolarHBondContact O-N 3.41Å |
| 296 | G | 29 | Very low | 34 | Very low | 69 Ų | 69 | 149.5 Ų | 149.5 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | | | trans | -55.7 | 134.9 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | V294 A298 | V294-G296 PolarHBondContact O-N 3.15Å; G296-A298 PolarHBondContact O-N 3.12Å |
| 297 | G | 25 | Very low | 34.2 | Very low | 87 Ų | 87 | 151.2 Ų | 151.2 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | | | trans | -74.1 | 119.3 | -169 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 298 | A | 30.9 | Very low | 34.2 | Very low | 98 Ų | 98 | 156 Ų | 156 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | | | trans | -115.5 | 117.1 | 160.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | G296 E300 | G296-A298 PolarHBondContact O-N 3.12Å; A298-E300 PolarHBondContact O-N 3.15Å |
| 299 | K | 33.8 | Very low | 34 | Very low | 203 Ų | 203 | 158.5 Ų | 158.5 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | | | trans | -92.6 | 89.5 | -174.8 | -174.3 | -172.8 | 178.3 | -170.9 | 0 | 110 | | |
| 300 | E | 35.6 | Very low | 33.9 | Very low | 152 Ų | 152 | 155.5 Ų | 155.5 | 71% | 0.71 | 79% | 0.789 | S | S | * | * | | | trans | -106.4 | 123.2 | 176.9 | -144.2 | -168.7 | 169.2 | 0 | 0 | 112.5 | A298 K302 | A298-E300 PolarHBondContact O-N 3.15Å; E300-K302 IonicContact OE1-NZ 2.67Å; E300-K302 PolarHBondContact OE1-NZ 3.43Å |
| 301 | E | 34.3 | Very low | 33.9 | Very low | 163 Ų | 163 | 153.1 Ų | 153.1 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | | | trans | -87.8 | 122.3 | 175.8 | -61 | -178.6 | 153.9 | 0 | 0 | 111 | | |
| 302 | K | 36.5 | Very low | 33.8 | Very low | 163 Ų | 163 | 149.1 Ų | 149.1 | 71% | 0.709 | 80% | 0.798 | S | S | * | * | | | trans | -152 | 90.7 | 163.8 | -99.6 | 124.9 | -174.9 | -173.9 | 0 | 114.1 | E300 | E300-K302 IonicContact OE1-NZ 2.67Å; E300-K302 PolarHBondContact OE1-NZ 3.43Å |
| 303 | K | 39 | Very low | 34 | Very low | 204 Ų | 204 | 146.2 Ų | 146.2 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | | | trans | 34 | 123.2 | 137.4 | -62 | 177.3 | -179.6 | 175.1 | 0 | 119.1 | | |
| 304 | E | 34.2 | Very low | 34 | Very low | 188 Ų | 188 | 153 Ų | 153 | 88% | 0.879 | 83% | 0.826 | S | S | * | * | | | trans | -58.2 | 144.5 | 171.1 | -56.6 | 173.5 | 127.8 | 0 | 0 | 113.7 | R306 | E304-R306 PolarHBondContact O-N 3.1Š|
| 305 | P | 36.1 | Very low | 33.8 | Very low | 130 Ų | 130 | 150 Ų | 150 | 84% | 0.844 | 82% | 0.821 | S | S | * | * | | | trans | -76 | 112.9 | 172.7 | 30.5 | -32.9 | 0 | 0 | 0 | 111.6 | E307 | P305-E307 PolarHBondContact O-N 3.12Š|
| 306 | R | 33.4 | Very low | 33.8 | Very low | 234 Ų | 234 | 147.2 Ų | 147.2 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | | | trans | -51.9 | 128 | -178.8 | -178.4 | 178.3 | -180 | 173.4 | 0.9 | 114.1 | E304 K308 | E304-R306 PolarHBondContact O-N 3.1Å; R306-K308 PolarHBondContact O-N 3.4Å |
| 307 | E | 34.5 | Very low | 34.1 | Very low | 147 Ų | 147 | 151.3 Ų | 151.3 | 69% | 0.687 | 83% | 0.829 | S | S | * | * | | | trans | -50.8 | 126.4 | 172.9 | -175.8 | -172.1 | -110.2 | 0 | 0 | 112.4 | P305 R309 | P305-E307 PolarHBondContact O-N 3.12Å; E307-R309 IonicContact OE2-NE 3.6Å |
| 308 | K | 36 | Very low | 35.1 | Very low | 200 Ų | 200 | 155.3 Ų | 155.3 | 87% | 0.87 | 83% | 0.829 | S | S | * | * | | | trans | -94.4 | 103 | 170.9 | -79.9 | -171.3 | 177 | -179.4 | 0 | 110.6 | R306 | R306-K308 PolarHBondContact O-N 3.4Š|
| 309 | R | 32 | Very low | 35.4 | Very low | 222 Ų | 222 | 162.1 Ų | 162.1 | 84% | 0.838 | 83% | 0.834 | S | S | * | * | | | trans | -70.7 | 129.6 | 162.5 | -63.7 | 178.7 | -178.3 | 179.4 | -3.4 | 109.9 | E307 | E307-R309 IonicContact OE2-NE 3.6Š|
| 310 | S | 33.8 | Very low | 35.2 | Very low | 114 Ų | 114 | 156.4 Ų | 156.4 | 80% | 0.797 | 83% | 0.832 | S | S | * | * | | | trans | -137.6 | 127.9 | 164.4 | 54.7 | 0 | 0 | 0 | 0 | 108.5 | | |
| 311 | C | 33.4 | Very low | 35.3 | Very low | 138 Ų | 138 | 155.9 Ų | 155.9 | 93% | 0.932 | 84% | 0.839 | S | S | * | * | | | trans | -84.8 | 157.5 | -171.8 | -54.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 312 | G | 31.8 | Very low | 35.3 | Very low | 84 Ų | 84 | 151 Ų | 151 | 87% | 0.866 | 83% | 0.833 | S | S | * | * | | | trans | 119.2 | 134.3 | 161.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 313 | G | 33.7 | Very low | 35.3 | Very low | 80 Ų | 80 | 150.1 Ų | 150.1 | 83% | 0.825 | 84% | 0.844 | S | S | * | * | | | trans | 125.2 | 87.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 314 | K | 34.9 | Very low | 34.9 | Very low | 223 Ų | 223 | 143.1 Ų | 143.1 | 97% | 0.97 | 83% | 0.829 | S | S | * | * | | | trans | -73.6 | 123 | 156.3 | -68.8 | 179.1 | 177.2 | 179.5 | 0 | 107 | | |
| 315 | G | 35.1 | Very low | 35 | Very low | 66 Ų | 66 | 143.9 Ų | 143.9 | 68% | 0.68 | 83% | 0.826 | S | S | * | * | | | trans | -171.4 | 76.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 316 | C | 36 | Very low | 35.2 | Very low | 127 Ų | 127 | 147.2 Ų | 147.2 | 86% | 0.858 | 83% | 0.83 | S | S | * | * | | | trans | 53.5 | 126 | 152 | -54 | 0 | 0 | 0 | 0 | 120.4 | L318 | C316-L318 PolarHBondContact O-N 3.33Š|
| 317 | D | 37.1 | Very low | 35.7 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 83% | 0.829 | 82% | 0.823 | S | S | * | * | | | trans | -61 | 120.8 | 167.8 | -53.7 | -102.8 | 0 | 0 | 0 | 113.1 | | |
| 318 | L | 44.2 | Very low | 35.9 | Very low | 171 Ų | 171 | 142.9 Ų | 142.9 | 90% | 0.895 | 83% | 0.83 | S | S | * | * | | | trans | -138.8 | 107 | 148.6 | -79.2 | -176.8 | 0 | 0 | 0 | 109.6 | C316 | C316-L318 PolarHBondContact O-N 3.33Š|
| 319 | R | 37.3 | Very low | 36.2 | Very low | 240 Ų | 240 | 143 Ų | 143 | 91% | 0.906 | 83% | 0.827 | S | S | * | * | | | trans | -66.8 | 141 | 168.4 | -65.7 | -175.7 | -178.7 | -163.3 | -0.4 | 109.1 | | |
| 320 | G | 30.7 | Very low | 36.5 | Very low | 83 Ų | 83 | 140.1 Ų | 140.1 | 86% | 0.856 | 83% | 0.827 | S | S | * | * | | | trans | -62.4 | 137.2 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 321 | V | 38.6 | Very low | 37 | Very low | 141 Ų | 141 | 139.9 Ų | 139.9 | 86% | 0.855 | 82% | 0.817 | S | S | * | * | | | trans | -121.2 | 121 | 161.6 | -179.6 | 0 | 0 | 0 | 0 | 106.7 | | |
| 322 | G | 32.5 | Very low | 37.6 | Very low | 61 Ų | 61 | 145.2 Ų | 145.2 | 63% | 0.629 | 82% | 0.819 | S | S | * | * | | | trans | -65.6 | 150.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G324 | G322-G324 PolarHBondContact O-N 2.91Š|
| 323 | P | 38.2 | Very low | 38.7 | Very low | 145 Ų | 145 | 144.8 Ų | 144.8 | 94% | 0.942 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -65.3 | 121.1 | -174.6 | 26.4 | -34.4 | 0 | 0 | 0 | 111.7 | | |
| 324 | G | 29.9 | Very low | 39.3 | Very low | 56 Ų | 56 | 144.7 Ų | 144.7 | 58% | 0.577 | 81% | 0.806 | S | S | * | * | | | trans | -162.9 | 165.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | G322 | G322-G324 PolarHBondContact O-N 2.91Š|
| 325 | Y | 36 | Very low | 40 | Very low | 205 Ų | 205 | 142 Ų | 142 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | 70 | 83.5 | 174.7 | -50.4 | -72.5 | 0 | 0 | 0 | 116.2 | | |
| 326 | E | 40.2 | Very low | 40.2 | Very low | 199 Ų | 199 | 148.3 Ų | 148.3 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 131.8 | 153.7 | -172 | 171.7 | -132.5 | 0 | 0 | 109.9 | S328 | E326-S328 PolarHBondContact O-N 2.93Š|
| 327 | K | 43.5 | Very low | 40.6 | Very low | 172 Ų | 172 | 151 Ų | 151 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 118 | -170 | -68.7 | 178.8 | 178.5 | 177.7 | 0 | 111.9 | Y329 | K327-Y329 HydrophobicContact CB-CE2 4.43Š|
| 328 | S | 38.6 | Very low | 40.6 | Very low | 118 Ų | 118 | 146.2 Ų | 146.2 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 117.4 | 160.5 | 49 | 0 | 0 | 0 | 0 | 109.5 | E326 | E326-S328 PolarHBondContact O-N 2.93Š|
| 329 | Y | 42.3 | Very low | 40.1 | Very low | 204 Ų | 204 | 141.5 Ų | 141.5 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 153.2 | 171.1 | -75.9 | -90.1 | 0 | 0 | 0 | 110.7 | K327 | K327-Y329 HydrophobicContact CB-CE2 4.43Š|
| 330 | L | 38.8 | Very low | 40.3 | Very low | 160 Ų | 160 | 134.8 Ų | 134.8 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 117 | 178.4 | -93 | 162 | 0 | 0 | 0 | 111.1 | | |
| 331 | D | 44.5 | Very low | 40.7 | Very low | 110 Ų | 110 | 140 Ų | 140 | 59% | 0.588 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 130.1 | 164.2 | -78.8 | -25.2 | 0 | 0 | 0 | 109.9 | A333 | D331-A333 PolarHBondContact O-N 3.5Š|
| 332 | Y | 46.3 | Very low | 40.7 | Very low | 250 Ų | 250 | 143 Ų | 143 | 98% | 0.98 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -2.2 | 176.1 | -95.4 | -95.4 | 0 | 0 | 0 | 115.1 | | |
| 333 | A | 54.3 | Low | 40.8 | Very low | 74 Ų | 74 | 148.7 Ų | 148.7 | 61% | 0.612 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | 9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | D331 K335 | D331-A333 PolarHBondContact O-N 3.5Å; A333-K335 PolarHBondContact O-N 3.44Å |
| 334 | G | 45.6 | Very low | 41 | Very low | 79 Ų | 79 | 149 Ų | 149 | 81% | 0.814 | 77% | 0.773 | S | S | * | * | | | trans | 64.4 | 14.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 335 | K | 50.1 | Low | 41.2 | Very low | 167 Ų | 167 | 150.4 Ų | 150.4 | 73% | 0.726 | 77% | 0.771 | S | S | * | * | | | trans | -110.4 | 101.9 | -174.6 | -75.9 | 173 | -177.5 | 172.6 | 0 | 111.2 | A333 K337 | A333-K335 PolarHBondContact O-N 3.44Å; K335-K337 PolarHBondContact O-N 3.44Å |
| 336 | F | 39.4 | Very low | 41.2 | Very low | 197 Ų | 197 | 148.3 Ų | 148.3 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | | | trans | -67.7 | 83.6 | -174.8 | -155.2 | -87.3 | 0 | 0 | 0 | 112.8 | G338 | F336-G338 PolarHBondContact O-N 2.92Š|
| 337 | K | 43.7 | Very low | 40.8 | Very low | 185 Ų | 185 | 148 Ų | 148 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | trans | -77 | 50 | 172.5 | -72.9 | -179.1 | 178.7 | 169.4 | 0 | 112.2 | K335 G339 | K335-K337 PolarHBondContact O-N 3.44Å; K337-G339 PolarHBondContact O-N 2.86Å |
| 338 | G | 37.7 | Very low | 40 | Very low | 54 Ų | 54 | 148.3 Ų | 148.3 | 56% | 0.557 | 77% | 0.768 | S | S | * | * | | | trans | -64.8 | 100.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F336 A340 | F336-G338 PolarHBondContact O-N 2.92Å; G338-A340 PolarHBondContact O-N 3.45Å |
| 339 | G | 35.1 | Very low | 39.7 | Very low | 72 Ų | 72 | 151.3 Ų | 151.3 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 131.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | K337 R341 | K337-G339 PolarHBondContact O-N 2.86Å; G339-R341 PolarHBondContact O-N 3.17Å |
| 340 | A | 40.8 | Very low | 39.3 | Very low | 99 Ų | 99 | 150.3 Ų | 150.3 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 120.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | G338 K342 | G338-A340 PolarHBondContact O-N 3.45Å; A340-K342 PolarHBondContact O-N 3.24Å |
| 341 | R | 37.9 | Very low | 38.8 | Very low | 192 Ų | 192 | 148.2 Ų | 148.2 | 73% | 0.725 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 123.4 | 175.8 | -79.9 | -178.3 | 167.9 | -178 | -4.7 | 110.2 | G339 F343 | G339-R341 PolarHBondContact O-N 3.17Å; R341-F343 PolarHBondContact O-N 3.24Å; R341-F343 VanDerWaalsContact O-N 3.1Å |
| 342 | K | 40.3 | Very low | 38.1 | Very low | 203 Ų | 203 | 147.7 Ų | 147.7 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | | | trans | -64.8 | 106.5 | 160.9 | -68.9 | 178.3 | -178.2 | 174.7 | 0 | 107.1 | A340 L344 | A340-K342 PolarHBondContact O-N 3.24Å; K342-L344 PolarHBondContact O-N 2.91Å |
| 343 | F | 34.2 | Very low | 37.6 | Very low | 182 Ų | 182 | 143.7 Ų | 143.7 | 80% | 0.798 | 76% | 0.758 | S | S | * | * | | | trans | -69.9 | 111.4 | 161.7 | -74 | -92.6 | 0 | 0 | 0 | 107 | R341 | R341-F343 PolarHBondContact O-N 3.24Å; R341-F343 VanDerWaalsContact O-N 3.1Å |
| 344 | L | 42.3 | Very low | 36.4 | Very low | 151 Ų | 151 | 149 Ų | 149 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | | | trans | -58 | 138.3 | 157.4 | -74.3 | 166.2 | 0 | 0 | 0 | 107.2 | K342 I346 | K342-L344 PolarHBondContact O-N 2.91Å; L344-I346 PolarHBondContact O-N 2.9Å |
| 345 | P | 34.7 | Very low | 35.8 | Very low | 85 Ų | 85 | 153.7 Ų | 153.7 | 55% | 0.552 | 77% | 0.768 | S | S | * | * | | | trans | -58.9 | 124.7 | 172.7 | 25.1 | -32 | 0 | 0 | 0 | 108.2 | Y347 | P345-Y347 VanDerWaalsContact C-N 3.29Å; P345-Y347 HydrophobicContact CG-CD2 4.42Å; P345-Y347 HydrophobicContact CG-CE2 3.81Å; P345-Y347 WeakPolarHBondContact O-CD2 3.37Å; P345-Y347 PolarHBondContact O-N 3.29Å |
| 346 | I | 35.1 | Very low | 34.9 | Very low | 161 Ų | 161 | 153.7 Ų | 153.7 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | | | trans | -70.6 | 97.3 | 168 | -59.6 | 174.9 | 0 | 0 | 0 | 105.1 | L344 Q348 | L344-I346 PolarHBondContact O-N 2.9Å; I346-Q348 PolarHBondContact O-N 3.34Å |
| 347 | Y | 31.4 | Very low | 34.3 | Very low | 192 Ų | 192 | 150.1 Ų | 150.1 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | | | trans | -60.1 | 110.3 | 169.9 | -70.6 | -90.9 | 0 | 0 | 0 | 107.5 | P345 K349 | P345-Y347 VanDerWaalsContact C-N 3.29Å; P345-Y347 HydrophobicContact CG-CD2 4.42Å; P345-Y347 HydrophobicContact CG-CE2 3.81Å; P345-Y347 WeakPolarHBondContact O-CD2 3.37Å; P345-Y347 PolarHBondContact O-N 3.29Å; Y347-K349 VanDerWaalsContact C-N 3.25Å; Y347-K349 PolarHBondContact O-N 2.86Å |
| 348 | Q | 28.2 | Very low | 33.8 | Very low | 180 Ų | 180 | 145.8 Ų | 145.8 | 84% | 0.841 | 75% | 0.753 | S | S | * | * | | | trans | -64.3 | 99.2 | 156.8 | -72.7 | 179.6 | -85.1 | 0 | 0 | 105.8 | I346 E350 | I346-Q348 PolarHBondContact O-N 3.34Å; Q348-E350 PolarHBondContact O-N 2.95Å; Q348-E350 VanDerWaalsContact O-N 3.12Å |
| 349 | K | 32.2 | Very low | 33.7 | Very low | 181 Ų | 181 | 149.2 Ų | 149.2 | 79% | 0.787 | 76% | 0.763 | S | S | * | * | | | trans | -62.5 | 108 | 153.2 | -79.4 | -166.5 | 169 | -162.1 | 0 | 105.7 | Y347 V351 | Y347-K349 VanDerWaalsContact C-N 3.25Å; Y347-K349 PolarHBondContact O-N 2.86Å; K349-V351 HydrophobicContact CB-CG2 4.19Å; K349-V351 PolarHBondContact O-N 3.27Å |
| 350 | E | 32.6 | Very low | 33.7 | Very low | 183 Ų | 183 | 154.6 Ų | 154.6 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | | | trans | -65 | 95.2 | 156 | -69.7 | -176.2 | 159.4 | 0 | 0 | 105.8 | Q348 S352 | Q348-E350 PolarHBondContact O-N 2.95Å; Q348-E350 VanDerWaalsContact O-N 3.12Å; E350-S352 PolarHBondContact O-N 3.4Å |
| 351 | V | 27.7 | Very low | 33.1 | Very low | 116 Ų | 116 | 153.7 Ų | 153.7 | 70% | 0.703 | 77% | 0.766 | S | S | * | * | | | trans | -74.4 | 87.6 | 168 | -178.9 | 0 | 0 | 0 | 0 | 105.4 | K349 E353 | K349-V351 HydrophobicContact CB-CG2 4.19Å; K349-V351 PolarHBondContact O-N 3.27Å; V351-E353 PolarHBondContact O-N 3.44Å; V351-E353 VanDerWaalsContact O-N 3.12Å |
| 352 | S | 31.1 | Very low | 32.6 | Very low | 98 Ų | 98 | 147.9 Ų | 147.9 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | | | trans | -57.9 | 112.5 | 161.8 | 51.6 | 0 | 0 | 0 | 0 | 107.2 | E350 E354 | E350-S352 PolarHBondContact O-N 3.4Å; S352-E354 PolarHBondContact O-N 2.88Å |
| 353 | E | 34.8 | Very low | 31.9 | Very low | 166 Ų | 166 | 144.8 Ų | 144.8 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | | | trans | -59.4 | 114.6 | 177.9 | -67.5 | 178.2 | 155.2 | 0 | 0 | 108.8 | V351 K355 | V351-E353 PolarHBondContact O-N 3.44Å; V351-E353 VanDerWaalsContact O-N 3.12Å; E353-K355 VanDerWaalsContact C-N 3.3Å; E353-K355 PolarHBondContact O-N 3.38Å |
| 354 | E | 30.7 | Very low | 31.7 | Very low | 186 Ų | 186 | 139.6 Ų | 139.6 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | | | trans | -67.9 | 87.7 | -178.8 | -68 | 178.7 | 140.4 | 0 | 0 | 109.6 | S352 E356 | S352-E354 PolarHBondContact O-N 2.88Å; E354-E356 PolarHBondContact O-N 3.47Å |
| 355 | K | 31.8 | Very low | 31.2 | Very low | 178 Ų | 178 | 137.4 Ų | 137.4 | 77% | 0.774 | 77% | 0.77 | S | S | * | * | | | trans | -71.4 | 82.1 | 167.6 | -70.5 | -168.3 | 176.6 | -173 | 0 | 108.9 | E353 V357 | E353-K355 VanDerWaalsContact C-N 3.3Å; E353-K355 PolarHBondContact O-N 3.38Å; K355-V357 VanDerWaalsContact C-N 3.28Å; K355-V357 PolarHBondContact O-N 2.93Å |
| 356 | E | 31.2 | Very low | 31.1 | Very low | 167 Ų | 167 | 143.1 Ų | 143.1 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | | | trans | -59 | 91.9 | 162.7 | -78.5 | -158.8 | 119.2 | 0 | 0 | 109.3 | E354 V358 | E354-E356 PolarHBondContact O-N 3.47Å; E356-V358 HydrophobicContact CB-CG2 4.08Å; E356-V358 PolarHBondContact O-N 3.37Å |
| 357 | V | 27.4 | Very low | 30.8 | Very low | 121 Ų | 121 | 144 Ų | 144 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | | | trans | -76.2 | 81 | 170.1 | -172.3 | 0 | 0 | 0 | 0 | 107.9 | K355 V359 | K355-V357 VanDerWaalsContact C-N 3.28Å; K355-V357 PolarHBondContact O-N 2.93Å; V357-V359 VanDerWaalsContact C-N 3.28Å; V357-V359 HydrophobicContact CG1-CG2 3.87Å; V357-V359 PolarHBondContact O-N 3.02Å |
| 358 | V | 31.8 | Very low | 31 | Very low | 95 Ų | 95 | 142.1 Ų | 142.1 | 58% | 0.576 | 79% | 0.785 | S | S | * | * | | | trans | -70.6 | 83.6 | 177.5 | -176.1 | 0 | 0 | 0 | 0 | 109.6 | E356 K360 | E356-V358 HydrophobicContact CB-CG2 4.08Å; E356-V358 PolarHBondContact O-N 3.37Å; V358-K360 VanDerWaalsContact C-N 3.27Å; V358-K360 HydrophobicContact CG1-CG 4.15Å; V358-K360 PolarHBondContact O-N 2.95Å |
| 359 | V | 36.8 | Very low | 31.1 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 76% | 0.758 | 78% | 0.784 | S | S | * | * | | | trans | -70.9 | 82.4 | 175.7 | -174.1 | 0 | 0 | 0 | 0 | 109.9 | V357 G361 | V357-V359 VanDerWaalsContact C-N 3.28Å; V357-V359 HydrophobicContact CG1-CG2 3.87Å; V357-V359 PolarHBondContact O-N 3.02Å; V359-G361 PolarHBondContact O-N 3.2Å |
| 360 | K | 34.5 | Very low | 31.2 | Very low | 186 Ų | 186 | 140.2 Ų | 140.2 | 81% | 0.809 | 78% | 0.777 | S | S | * | * | | | trans | -73.4 | 71.9 | 168.8 | -90.2 | 175.5 | 179.8 | 174.7 | 0 | 110.8 | V358 G362 | V358-K360 VanDerWaalsContact C-N 3.27Å; V358-K360 HydrophobicContact CG1-CG 4.15Å; V358-K360 PolarHBondContact O-N 2.95Å; K360-G362 VanDerWaalsContact C-N 3.32Å; K360-G362 PolarHBondContact O-N 3Å |
| 361 | G | 27.6 | Very low | 31.3 | Very low | 79 Ų | 79 | 140.5 Ų | 140.5 | 81% | 0.814 | 78% | 0.775 | S | S | * | * | | | trans | -68.3 | 90 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | V359 | V359-G361 PolarHBondContact O-N 3.2Š|
| 362 | G | 28.7 | Very low | 31.3 | Very low | 71 Ų | 71 | 144.1 Ų | 144.1 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | | | trans | -153.9 | 115.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K360 | K360-G362 VanDerWaalsContact C-N 3.32Å; K360-G362 PolarHBondContact O-N 3Å |
| 363 | C | 25.9 | Very low | 31.5 | Very low | 138 Ų | 138 | 145.3 Ų | 145.3 | 93% | 0.932 | 79% | 0.79 | S | S | * | * | | | trans | -84.7 | 136.7 | -178.3 | -172.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 364 | G | 28.5 | Very low | 31.4 | Very low | 73 Ų | 73 | 148.6 Ų | 148.6 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | | | trans | 77 | 92 | 153.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 365 | A | 32.6 | Very low | 31.5 | Very low | 105 Ų | 105 | 147 Ų | 147 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | | | trans | -148.1 | 146.5 | 148 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 366 | K | 31.9 | Very low | 31.8 | Very low | 204 Ų | 204 | 148.7 Ų | 148.7 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | | | trans | -68.2 | 146 | -169.1 | -71.3 | 176.8 | 176 | 178.3 | 0 | 114 | | |
| 367 | E | 30.2 | Very low | 31.9 | Very low | 181 Ų | 181 | 150.3 Ų | 150.3 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | | | trans | -50.5 | 125.9 | 153.6 | 177.8 | 176.7 | -125.3 | 0 | 0 | 111.8 | | |
| 368 | E | 34.9 | Very low | 31.9 | Very low | 152 Ų | 152 | 149.9 Ų | 149.9 | 71% | 0.71 | 80% | 0.796 | S | S | * | * | | | trans | -141.8 | 110.9 | 158.2 | -89.4 | -142.3 | 101.2 | 0 | 0 | 109.3 | K370 | E368-K370 IonicContact OE1-NZ 2.59Å; E368-K370 PolarHBondContact OE1-NZ 3.03Å |
| 369 | E | 29.6 | Very low | 31.9 | Very low | 173 Ų | 173 | 151.4 Ų | 151.4 | 81% | 0.808 | 81% | 0.81 | S | S | * | * | | | trans | -65.9 | 131.2 | 161.2 | -59.5 | -179.6 | 106.5 | 0 | 0 | 110 | | |
| 370 | K | 34.2 | Very low | 31.6 | Very low | 148 Ų | 148 | 148.7 Ų | 148.7 | 64% | 0.643 | 81% | 0.807 | S | S | * | * | | | trans | -163 | 113.4 | 148.4 | -95.6 | 122.7 | -145.6 | 175.2 | 0 | 114.1 | E368 | E368-K370 IonicContact OE1-NZ 2.59Å; E368-K370 PolarHBondContact OE1-NZ 3.03Å |
| 371 | K | 35.2 | Very low | 31.6 | Very low | 189 Ų | 189 | 147.2 Ų | 147.2 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | | | trans | 70.1 | 114.4 | 135.2 | -60 | 175.2 | -179.8 | 178 | 0 | 119.5 | | |
| 372 | E | 27.9 | Very low | 31.7 | Very low | 191 Ų | 191 | 151.6 Ų | 151.6 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | | | trans | -58.9 | 141.2 | 155.8 | -54 | 176.3 | 127.7 | 0 | 0 | 112.2 | | |
| 373 | P | 35.7 | Very low | 31.9 | Very low | 123 Ų | 123 | 154.7 Ų | 154.7 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | | | trans | -112 | 81.1 | 171.7 | 37.4 | -29 | 0 | 0 | 0 | 113.7 | | |
| 374 | R | 31.6 | Very low | 32.3 | Very low | 236 Ų | 236 | 155.2 Ų | 155.2 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | | | | 59.1 | 126.6 | 127 | -164 | 178.6 | -167.3 | 164.3 | 4.4 | 120.1 | | |
| 375 | E | 32.8 | Very low | 32.7 | Very low | 153 Ų | 153 | 160.1 Ų | 160.1 | 72% | 0.715 | 81% | 0.805 | S | S | * | * | | | trans | -45.5 | 149.2 | 168.5 | -56 | 179.4 | 106.6 | 0 | 0 | 114.8 | | |
| 376 | K | 37.9 | Very low | 33.2 | Very low | 213 Ų | 213 | 162.3 Ų | 162.3 | 93% | 0.926 | 80% | 0.801 | S | S | * | * | | | trans | -116.4 | 121.9 | 152.9 | -74.8 | -177.2 | 178.6 | 174.9 | 0 | 109.6 | | |
| 377 | R | 33.5 | Very low | 33.1 | Very low | 200 Ų | 200 | 164.7 Ų | 164.7 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | | | trans | -85.7 | 155.2 | -178.3 | -62.8 | 175.1 | 174.4 | 176.6 | -6 | 111.8 | | |
| 378 | S | 27.3 | Very low | 33.2 | Very low | 113 Ų | 113 | 159.7 Ų | 159.7 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | | | trans | 62.2 | 143 | 149.3 | 66.1 | 0 | 0 | 0 | 0 | 117.4 | | |
| 379 | C | 32.5 | Very low | 33.3 | Very low | 127 Ų | 127 | 159.7 Ų | 159.7 | 86% | 0.858 | 81% | 0.811 | S | S | * | * | | | cis | -154.1 | 176.1 | 36.8 | -83.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 380 | G | 31.5 | Very low | 33.2 | Very low | 67 Ų | 67 | 154.1 Ų | 154.1 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | | | trans | 92.9 | 87.4 | 167 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 381 | E | 33.8 | Very low | 33.5 | Very low | 155 Ų | 155 | 154 Ų | 154 | 72% | 0.724 | 82% | 0.815 | S | S | * | * | | | | 79.8 | 112.4 | 87.9 | -80.4 | -154.6 | 101.9 | 0 | 0 | 115.7 | | |
| 382 | K | 29.7 | Very low | 33.2 | Very low | 171 Ų | 171 | 147.7 Ų | 147.7 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | | | trans | 50.1 | 96.9 | 140.3 | -59.9 | 166.8 | -176.9 | 156.1 | 0 | 117.9 | | |
| 383 | C | 32.9 | Very low | 33.4 | Very low | 136 Ų | 136 | 150 Ų | 150 | 92% | 0.919 | 81% | 0.806 | S | S | * | * | | | trans | -161.5 | 71.4 | 145.4 | -118.4 | 0 | 0 | 0 | 0 | 111.4 | H385 | C383-H385 PolarHBondContact O-N 3.27Š|
| 384 | D | 33.8 | Very low | 33.5 | Very low | 149 Ų | 149 | 153 Ų | 153 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | | | trans | -68.6 | 110.4 | 167.4 | -67.3 | -76.7 | 0 | 0 | 0 | 110.4 | | |
| 385 | H | 37.9 | Very low | 34 | Very low | 176 Ų | 176 | 148.9 Ų | 148.9 | 82% | 0.815 | 80% | 0.798 | S | S | * | * | | | trans | -158.2 | 118.1 | 153.2 | -85.9 | -26.5 | 0 | 0 | 0 | 112.8 | C383 | C383-H385 PolarHBondContact O-N 3.27Š|
| 386 | L | 41.7 | Very low | 34 | Very low | 152 Ų | 152 | 147.4 Ų | 147.4 | 80% | 0.796 | 80% | 0.804 | S | S | * | * | | | trans | 41.6 | 96.3 | 137.9 | -50.5 | 175.8 | 0 | 0 | 0 | 116.6 | | |
| 387 | R | 31.7 | Very low | 34.2 | Very low | 254 Ų | 254 | 146.5 Ų | 146.5 | 96% | 0.958 | 80% | 0.796 | S | S | * | * | | | | 45.6 | 79.8 | 76.5 | -156.9 | -175.7 | -156.9 | -151.6 | 7.3 | 112.7 | | |
| 388 | G | 32.4 | Very low | 34.3 | Very low | 76 Ų | 76 | 144.3 Ų | 144.3 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | | | trans | -145.6 | 119.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 389 | V | 36.4 | Very low | 35 | Very low | 151 Ų | 151 | 145.7 Ų | 145.7 | 92% | 0.915 | 80% | 0.797 | S | S | * | * | | | trans | -49.7 | 145.9 | -179.9 | 179 | 0 | 0 | 0 | 0 | 114.3 | | |
| 390 | G | 27.7 | Very low | 35.3 | Very low | 57 Ų | 57 | 151.2 Ų | 151.2 | 59% | 0.588 | 80% | 0.802 | S | S | * | * | | | trans | -66.3 | 162.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | G392 | G390-G392 PolarHBondContact O-N 3.21Å; G390-G392 VanDerWaalsContact O-N 3.08Å |
| 391 | P | 39.3 | Very low | 36.2 | Very low | 145 Ų | 145 | 151.7 Ų | 151.7 | 94% | 0.942 | 80% | 0.799 | S | S | * | * | | | trans | -74.5 | 101.1 | -166.6 | 29.4 | -35.8 | 0 | 0 | 0 | 113.6 | | |
| 392 | G | 29.8 | Very low | 36.3 | Very low | 56 Ų | 56 | 148 Ų | 148 | 58% | 0.577 | 80% | 0.803 | S | S | * | * | | | trans | -97.2 | 149.9 | 163 | 0 | 0 | 0 | 0 | 0 | 112.6 | G390 | G390-G392 PolarHBondContact O-N 3.21Å; G390-G392 VanDerWaalsContact O-N 3.08Å |
| 393 | Y | 31.6 | Very low | 36.9 | Very low | 241 Ų | 241 | 148.7 Ų | 148.7 | 95% | 0.945 | 81% | 0.806 | S | S | * | * | | | trans | 52.5 | 99.6 | 158.4 | -61.9 | -85.7 | 0 | 0 | 0 | 119.1 | | |
| 394 | E | 38 | Very low | 37 | Very low | 184 Ų | 184 | 151.7 Ų | 151.7 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | | | trans | -98.5 | 100.9 | 163.8 | -164.9 | 163.5 | -140 | 0 | 0 | 112.7 | | |
| 395 | K | 41.3 | Very low | 37.3 | Very low | 151 Ų | 151 | 154.2 Ų | 154.2 | 66% | 0.657 | 81% | 0.808 | S | S | * | * | | | trans | 35.8 | 97.8 | 149.3 | -62.5 | 172 | -176.8 | 169.9 | 0 | 118.5 | Y397 | K395-Y397 HydrophobicContact CB-CE2 4.12Š|
| 396 | S | 32.8 | Very low | 37.2 | Very low | 121 Ų | 121 | 148.9 Ų | 148.9 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | | | trans | -75.2 | 121.2 | 146.9 | 54 | 0 | 0 | 0 | 0 | 109.9 | | |
| 397 | Y | 43.6 | Very low | 36.7 | Very low | 195 Ų | 195 | 145 Ų | 145 | 77% | 0.765 | 80% | 0.796 | S | S | * | * | | | trans | -76.9 | 152.3 | 173.3 | -75.1 | -93.5 | 0 | 0 | 0 | 111.8 | K395 | K395-Y397 HydrophobicContact CB-CE2 4.12Š|
| 398 | L | 35.7 | Very low | 36.9 | Very low | 154 Ų | 154 | 137.5 Ų | 137.5 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | | | trans | -100.3 | 106.1 | -174.6 | -119.4 | 167.9 | 0 | 0 | 0 | 110.4 | | |
| 399 | D | 40.6 | Very low | 37.1 | Very low | 141 Ų | 141 | 145 Ų | 145 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | | | trans | -82.2 | 124.5 | 170.9 | -79.1 | -30.5 | 0 | 0 | 0 | 110.6 | A401 | D399-A401 PolarHBondContact O-N 3.33Š|
| 400 | Y | 40.3 | Very low | 37.3 | Very low | 243 Ų | 243 | 147.5 Ų | 147.5 | 95% | 0.953 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | 14.6 | 178.1 | -104.5 | -96 | 0 | 0 | 0 | 115 | | |
| 401 | A | 48.3 | Very low | 37.6 | Very low | 77 Ų | 77 | 154.1 Ų | 154.1 | 64% | 0.636 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | 11.1 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | D399 K403 | D399-A401 PolarHBondContact O-N 3.33Å; A401-K403 VanDerWaalsContact C-N 3.3Å; A401-K403 PolarHBondContact O-N 3.05Å; A401-K403 VanDerWaalsContact O-N 3.09Å |
| 402 | G | 37.1 | Very low | 37.5 | Very low | 78 Ų | 78 | 154.5 Ų | 154.5 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | trans | 64 | 18.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 403 | K | 42.6 | Very low | 37.7 | Very low | 185 Ų | 185 | 156.9 Ų | 156.9 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | -127.5 | 75.6 | -174.7 | -75 | 174.8 | -177.9 | 165.1 | 0 | 112.7 | A401 K405 | A401-K403 VanDerWaalsContact C-N 3.3Å; A401-K403 PolarHBondContact O-N 3.05Å; A401-K403 VanDerWaalsContact O-N 3.09Å; K403-K405 PolarHBondContact O-N 3.48Å; K403-K405 VanDerWaalsContact O-N 3.14Å |
| 404 | F | 35.3 | Very low | 37.7 | Very low | 200 Ų | 200 | 152.7 Ų | 152.7 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | | | trans | -59.1 | 113.3 | 175.3 | -130.8 | -98.7 | 0 | 0 | 0 | 111.2 | | |
| 405 | K | 38.5 | Very low | 37.3 | Very low | 202 Ų | 202 | 153.6 Ų | 153.6 | 88% | 0.878 | 79% | 0.793 | S | S | * | * | | | trans | -115.7 | 39.5 | 172.8 | -77.7 | -172.9 | 173.5 | 179 | 0 | 112.2 | K403 G407 | K403-K405 PolarHBondContact O-N 3.48Å; K403-K405 VanDerWaalsContact O-N 3.14Å; K405-G407 VanDerWaalsContact C-N 3.32Å; K405-G407 PolarHBondContact O-N 3.47Å |
| 406 | G | 36 | Very low | 36.7 | Very low | 63 Ų | 63 | 154.3 Ų | 154.3 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | | | trans | -69 | 83.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A408 | G406-A408 PolarHBondContact O-N 3.43Š|
| 407 | G | 32.1 | Very low | 36.6 | Very low | 70 Ų | 70 | 158.2 Ų | 158.2 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | | | trans | -64.4 | 122.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | K405 R409 | K405-G407 VanDerWaalsContact C-N 3.32Å; K405-G407 PolarHBondContact O-N 3.47Å; G407-R409 PolarHBondContact O-N 2.91Å; G407-R409 VanDerWaalsContact O-N 3.16Å |
| 408 | A | 35.7 | Very low | 36.1 | Very low | 97 Ų | 97 | 157.4 Ų | 157.4 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | | | trans | -57.4 | 117.1 | -173 | 0 | 0 | 0 | 0 | 0 | 112.7 | G406 K410 | G406-A408 PolarHBondContact O-N 3.43Å; A408-K410 PolarHBondContact O-N 3.42Å |
| 409 | R | 36 | Very low | 35.8 | Very low | 235 Ų | 235 | 156.4 Ų | 156.4 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | | | trans | -67.8 | 112.1 | 164.4 | -84.5 | -176.6 | 164.5 | -174.5 | -4.9 | 108.5 | G407 F411 | G407-R409 PolarHBondContact O-N 2.91Å; G407-R409 VanDerWaalsContact O-N 3.16Å; R409-F411 PolarHBondContact O-N 3.39Å |
| 410 | K | 41.5 | Very low | 35.5 | Very low | 202 Ų | 202 | 155 Ų | 155 | 88% | 0.878 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 121.2 | 163.7 | -67.5 | -173.2 | 177.8 | -174.4 | 0 | 108.2 | A408 | A408-K410 PolarHBondContact O-N 3.42Š|
| 411 | F | 33.3 | Very low | 35.3 | Very low | 196 Ų | 196 | 151.3 Ų | 151.3 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 141.2 | 164.2 | -70.5 | -101.7 | 0 | 0 | 0 | 108.8 | R409 | R409-F411 PolarHBondContact O-N 3.39Š|
| 412 | L | 37.9 | Very low | 34.4 | Very low | 154 Ų | 154 | 156.8 Ų | 156.8 | 81% | 0.806 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 141.6 | 157.4 | -76.3 | 165.6 | 0 | 0 | 0 | 107.7 | I414 | L412-I414 PolarHBondContact O-N 3.02Š|
| 413 | P | 34.5 | Very low | 34.2 | Very low | 106 Ų | 106 | 161.8 Ų | 161.8 | 69% | 0.688 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 133.2 | 176.1 | 28 | -33.5 | 0 | 0 | 0 | 110.4 | Y415 | P413-Y415 PolarHBondContact O-N 2.99Š|
| 414 | I | 29.9 | Very low | 33.6 | Very low | 153 Ų | 153 | 161.2 Ų | 161.2 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | | | trans | -102.2 | 65.2 | 177.5 | -50.8 | 175.9 | 0 | 0 | 0 | 108.4 | L412 | L412-I414 PolarHBondContact O-N 3.02Š|
| 415 | Y | 30.5 | Very low | 33.3 | Very low | 203 Ų | 203 | 157.4 Ų | 157.4 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | | | trans | -155 | 135 | -179.5 | -70.4 | -67.1 | 0 | 0 | 0 | 108.1 | P413 | P413-Y415 PolarHBondContact O-N 2.99Š|
| 416 | Q | 28.8 | Very low | 33.1 | Very low | 166 Ų | 166 | 152.6 Ų | 152.6 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | cis | -133.5 | 158.5 | -5.5 | -91.8 | 151.9 | -58.9 | 0 | 0 | 109.2 | | |
| 417 | K | 31 | Very low | 33.2 | Very low | 203 Ų | 203 | 155.5 Ų | 155.5 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | | | trans | -79.6 | 110.4 | 153.5 | -87 | -168.2 | 171 | -167.5 | 0 | 107 | V419 | K417-V419 PolarHBondContact O-N 3.27Š|
| 418 | E | 33.5 | Very low | 33.3 | Very low | 178 Ų | 178 | 161.4 Ų | 161.4 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | | | trans | -77 | 119 | 164.5 | -70.2 | -175.1 | 162.9 | 0 | 0 | 108.1 | S420 | E418-S420 PolarHBondContact O-N 3Š|
| 419 | V | 27.8 | Very low | 33 | Very low | 133 Ų | 133 | 160.2 Ų | 160.2 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | | | trans | -92.6 | 90 | 175.7 | -179.6 | 0 | 0 | 0 | 0 | 107 | K417 E421 | K417-V419 PolarHBondContact O-N 3.27Å; V419-E421 PolarHBondContact O-N 3.23Å |
| 420 | S | 35.8 | Very low | 32.6 | Very low | 111 Ų | 111 | 152.9 Ų | 152.9 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | | | trans | -79.3 | 97.9 | 177 | 59.7 | 0 | 0 | 0 | 0 | 110.6 | E418 | E418-S420 PolarHBondContact O-N 3Š|
| 421 | E | 34.6 | Very low | 32 | Very low | 165 Ų | 165 | 149.3 Ų | 149.3 | 77% | 0.771 | 79% | 0.793 | S | S | * | * | | | trans | 17.4 | 110.5 | 159.6 | -63.3 | 178.5 | 167.4 | 0 | 0 | 117.8 | V419 K423 | V419-E421 PolarHBondContact O-N 3.23Å; E421-K423 PolarHBondContact O-N 3.01Å |
| 422 | E | 30.4 | Very low | 31.7 | Very low | 193 Ų | 193 | 144 Ų | 144 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | | | trans | -67.8 | 102.1 | 168.1 | -63 | -176.3 | 129.9 | 0 | 0 | 110.2 | E424 | E422-E424 PolarHBondContact O-N 3.17Š|
| 423 | K | 32.1 | Very low | 31.5 | Very low | 182 Ų | 182 | 141.3 Ų | 141.3 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | | | trans | -74.8 | 93.9 | 167.2 | -75.4 | -165.4 | 173.4 | -172.2 | 0 | 109.9 | E421 V425 | E421-K423 PolarHBondContact O-N 3.01Å; K423-V425 PolarHBondContact O-N 3.14Å |
| 424 | E | 29.9 | Very low | 31.6 | Very low | 173 Ų | 173 | 145 Ų | 145 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | | | trans | -63.3 | 97.9 | 173.6 | -166.5 | 178.3 | -147 | 0 | 0 | 110.5 | E422 V426 | E422-E424 PolarHBondContact O-N 3.17Å; E424-V426 HydrophobicContact CG-CG2 4.09Å; E424-V426 PolarHBondContact O-N 2.65Å; E424-V426 VanDerWaalsContact O-N 3.07Å |
| 425 | V | 30.6 | Very low | 31.7 | Very low | 121 Ų | 121 | 147.3 Ų | 147.3 | 73% | 0.733 | 81% | 0.806 | S | S | * | * | | | trans | -80.4 | 89.6 | 175.6 | -175.5 | 0 | 0 | 0 | 0 | 108.6 | K423 V427 | K423-V425 PolarHBondContact O-N 3.14Å; V425-V427 VanDerWaalsContact C-N 3.3Å; V425-V427 HydrophobicContact CG1-CG2 3.98Å; V425-V427 PolarHBondContact O-N 3.18Å |
| 426 | V | 33.2 | Very low | 31.9 | Very low | 101 Ų | 101 | 145.3 Ų | 145.3 | 61% | 0.612 | 80% | 0.804 | S | S | * | * | | | trans | -69.6 | 85.2 | 176.3 | -175.8 | 0 | 0 | 0 | 0 | 110 | E424 K428 | E424-V426 HydrophobicContact CG-CG2 4.09Å; E424-V426 PolarHBondContact O-N 2.65Å; E424-V426 VanDerWaalsContact O-N 3.07Å; V426-K428 VanDerWaalsContact C-N 3.32Å; V426-K428 HydrophobicContact CG1-CG 4.32Å; V426-K428 PolarHBondContact O-N 2.63Å |
| 427 | V | 38.3 | Very low | 32.2 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | | | trans | -71.1 | 87.7 | 173.1 | -175.4 | 0 | 0 | 0 | 0 | 109.2 | V425 G429 | V425-V427 VanDerWaalsContact C-N 3.3Å; V425-V427 HydrophobicContact CG1-CG2 3.98Å; V425-V427 PolarHBondContact O-N 3.18Å; V427-G429 VanDerWaalsContact C-N 3.25Å; V427-G429 PolarHBondContact O-N 2.83Å |
| 428 | K | 34.4 | Very low | 32.4 | Very low | 194 Ų | 194 | 145 Ų | 145 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | | | trans | -67.8 | 86 | 165.7 | -83.1 | -173.9 | 175.7 | 177.5 | 0 | 109.6 | V426 G430 | V426-K428 VanDerWaalsContact C-N 3.32Å; V426-K428 HydrophobicContact CG1-CG 4.32Å; V426-K428 PolarHBondContact O-N 2.63Å; K428-G430 PolarHBondContact O-N 3.12Å |
| 429 | G | 28.9 | Very low | 32.6 | Very low | 71 Ų | 71 | 143.7 Ų | 143.7 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | | | trans | -66.3 | 79.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V427 C431 | V427-G429 VanDerWaalsContact C-N 3.25Å; V427-G429 PolarHBondContact O-N 2.83Å; G429-C431 PolarHBondContact O-N 2.83Å |
| 430 | G | 28 | Very low | 32.9 | Very low | 81 Ų | 81 | 145.7 Ų | 145.7 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | | | trans | -72.4 | 107.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | K428 | K428-G430 PolarHBondContact O-N 3.12Š|
| 431 | C | 28.2 | Very low | 32.9 | Very low | 127 Ų | 127 | 146.7 Ų | 146.7 | 86% | 0.858 | 80% | 0.798 | S | S | * | * | | | trans | -120.1 | 139.6 | 165.4 | -160.6 | 0 | 0 | 0 | 0 | 108.7 | G429 A433 | G429-C431 PolarHBondContact O-N 2.83Å; C431-A433 PolarHBondContact O-N 3.35Å |
| 432 | G | 28.3 | Very low | 32.8 | Very low | 84 Ų | 84 | 150.4 Ų | 150.4 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | | | trans | -65.1 | 129.5 | -160.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 433 | A | 33.7 | Very low | 33.2 | Very low | 99 Ų | 99 | 150.7 Ų | 150.7 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | trans | -116.2 | 132.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | C431 | C431-A433 PolarHBondContact O-N 3.35Š|
| 434 | K | 35 | Very low | 33.5 | Very low | 182 Ų | 182 | 151.1 Ų | 151.1 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | | | trans | -37.3 | 135.8 | -170.4 | -64.8 | 171.6 | 174.5 | -179.5 | 0 | 116.1 | E436 | K434-E436 PolarHBondContact O-N 2.93Š|
| 435 | E | 32.2 | Very low | 33.8 | Very low | 202 Ų | 202 | 154.9 Ų | 154.9 | 94% | 0.944 | 82% | 0.815 | S | S | * | * | | | trans | -61.4 | 122.7 | 150.7 | -176 | 170.4 | -140.2 | 0 | 0 | 108.8 | | |
| 436 | E | 35.6 | Very low | 34.1 | Very low | 161 Ų | 161 | 154.3 Ų | 154.3 | 75% | 0.752 | 82% | 0.816 | S | S | * | * | | | trans | -135.9 | 121.4 | -177.1 | -161.3 | 170.5 | -111.8 | 0 | 0 | 109.5 | K434 K438 | K434-E436 PolarHBondContact O-N 2.93Å; E436-K438 PolarHBondContact O-N 2.93Å |
| 437 | E | 33.6 | Very low | 34.3 | Very low | 155 Ų | 155 | 155 Ų | 155 | 72% | 0.724 | 83% | 0.825 | S | S | * | * | | | trans | -59.9 | 119.8 | -173.4 | -67.9 | -172.3 | 104.6 | 0 | 0 | 112.3 | K439 | E437-K439 VanDerWaalsContact OE1-CE 3.24Å; E437-K439 WeakPolarHBondContact OE1-CE 3.42Å; E437-K439 IonicContact OE1-NZ 3.33Å; E437-K439 PolarHBondContact OE1-NZ 3.44Å; E437-K439 WeakPolarHBondContact OE2-CE 3.46Å; E437-K439 IonicContact OE2-NZ 2.72Å; E437-K439 PolarHBondContact OE2-NZ 2.89Å |
| 438 | K | 36 | Very low | 34.1 | Very low | 208 Ų | 208 | 153.1 Ų | 153.1 | 90% | 0.904 | 83% | 0.83 | S | S | * | * | | | trans | -96.8 | 99.3 | 164.5 | -76.6 | -174.8 | 176.7 | 175.8 | 0 | 110.8 | E436 | E436-K438 PolarHBondContact O-N 2.93Š|
| 439 | K | 38.6 | Very low | 34.1 | Very low | 151 Ų | 151 | 147.6 Ų | 147.6 | 66% | 0.657 | 83% | 0.829 | S | S | * | * | | | trans | -79.1 | 126.8 | 175.3 | -72.4 | 175.4 | 177 | 151.1 | 0 | 111.9 | E437 | E437-K439 VanDerWaalsContact OE1-CE 3.24Å; E437-K439 WeakPolarHBondContact OE1-CE 3.42Å; E437-K439 IonicContact OE1-NZ 3.33Å; E437-K439 PolarHBondContact OE1-NZ 3.44Å; E437-K439 WeakPolarHBondContact OE2-CE 3.46Å; E437-K439 IonicContact OE2-NZ 2.72Å; E437-K439 PolarHBondContact OE2-NZ 2.89Å |
| 440 | E | 33 | Very low | 34.5 | Very low | 174 Ų | 174 | 153.6 Ų | 153.6 | 81% | 0.813 | 84% | 0.835 | S | S | * | * | | | trans | 36.7 | 125.8 | 151.1 | -58.5 | -174.5 | 142.7 | 0 | 0 | 121.2 | | |
| 441 | P | 35.9 | Very low | 34.8 | Very low | 132 Ų | 132 | 154.9 Ų | 154.9 | 86% | 0.857 | 83% | 0.831 | S | S | * | * | | | trans | -75.1 | 130.8 | 153.4 | 32.7 | -30.4 | 0 | 0 | 0 | 110.5 | | |
| 442 | R | 32.8 | Very low | 35.4 | Very low | 244 Ų | 244 | 154.3 Ų | 154.3 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | | | trans | -64.8 | 142 | 177 | -66.7 | 168.5 | 166.5 | 164.5 | -7.1 | 112.5 | | |
| 443 | E | 38.4 | Very low | 35.8 | Very low | 199 Ų | 199 | 157.5 Ų | 157.5 | 93% | 0.93 | 82% | 0.824 | S | S | * | * | | | trans | -121 | 158.7 | 146.9 | -116.3 | -168.6 | 178.6 | 0 | 0 | 112.2 | | |
| 444 | K | 38.1 | Very low | 36.4 | Very low | 190 Ų | 190 | 159 Ų | 159 | 83% | 0.826 | 82% | 0.817 | S | S | * | * | | | trans | -110.7 | 132.4 | -163.9 | -57.4 | 170.2 | -174.1 | 169 | 0 | 111.6 | | |
| 445 | R | 36.3 | Very low | 36.7 | Very low | 252 Ų | 252 | 161 Ų | 161 | 95% | 0.951 | 82% | 0.82 | S | S | * | * | | | trans | -133.8 | 143.8 | 148.7 | -69.4 | -166 | 177.9 | -172 | 0.2 | 110.7 | | |
| 446 | C | 38.4 | Very low | 37 | Very low | 110 Ų | 110 | 154.6 Ų | 154.6 | 74% | 0.743 | 81% | 0.808 | S | S | * | * | | | trans | -101.1 | 138.9 | -172 | -53.6 | 0 | 0 | 0 | 0 | 107.6 | | |
| 447 | S | 35.4 | Very low | 37.4 | Very low | 114 Ų | 114 | 153.9 Ų | 153.9 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | | | | 112.1 | 132.7 | 68.9 | 58.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 448 | G | 34.7 | Very low | 37.6 | Very low | 85 Ų | 85 | 149.7 Ų | 149.7 | 88% | 0.876 | 81% | 0.813 | S | S | * | * | | | trans | 92.7 | 144.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 449 | G | 35.7 | Very low | 38.1 | Very low | 78 Ų | 78 | 145 Ų | 145 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | cis | -157.5 | 160.4 | 0.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 450 | K | 36.7 | Very low | 38.2 | Very low | 198 Ų | 198 | 140.7 Ų | 140.7 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | | | trans | -59.4 | 148.3 | -167.7 | -59.6 | 170.5 | 170.4 | 176.5 | 0 | 116.5 | | |
| 451 | S | 34.7 | Very low | 38.6 | Very low | 107 Ų | 107 | 142.9 Ų | 142.9 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | | | trans | 71.6 | 170.3 | 131.6 | 63.3 | 0 | 0 | 0 | 0 | 121.5 | | |
| 452 | C | 40.6 | Very low | 38.8 | Very low | 116 Ų | 116 | 145.3 Ų | 145.3 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | | | trans | 96 | 119 | 168.6 | -58.2 | 0 | 0 | 0 | 0 | 116.6 | | |
| 453 | D | 37 | Very low | 39.2 | Very low | 150 Ų | 150 | 143.1 Ų | 143.1 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | | | trans | -65.9 | 172.4 | 176.1 | -43.3 | -104 | 0 | 0 | 0 | 113.1 | | |
| 454 | L | 46.2 | Very low | 39.5 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 68% | 0.681 | 78% | 0.784 | S | S | * | * | | | | 163.1 | 129.8 | 117.4 | -84.3 | 173.7 | 0 | 0 | 0 | 114.6 | | |
| 455 | R | 40.4 | Very low | 39.7 | Very low | 224 Ų | 224 | 138.7 Ų | 138.7 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | | | trans | 70.6 | 144.1 | 145.7 | -59.2 | 166.7 | -146.2 | -125.1 | -3.1 | 121.2 | | |
| 456 | G | 39.3 | Very low | 40 | Very low | 68 Ų | 68 | 133.8 Ų | 133.8 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | | | trans | 125.6 | 63.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 457 | V | 43.1 | Very low | 40.4 | Very low | 147 Ų | 147 | 135 Ų | 135 | 89% | 0.891 | 78% | 0.776 | S | S | * | * | | | | 62.5 | 116.2 | 80.1 | -176.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 458 | G | 37.7 | Very low | 40.8 | Very low | 66 Ų | 66 | 144 Ų | 144 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | | | trans | -113.9 | -171 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 459 | P | 47.6 | Very low | 41.1 | Very low | 110 Ų | 110 | 146.9 Ų | 146.9 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | | | | -131.2 | 166.7 | 118.1 | 35.7 | -24 | 0 | 0 | 0 | 110.9 | Y461 | P459-Y461 HydrophobicContact CB-CE2 4.08Š|
| 460 | G | 39.4 | Very low | 41.4 | Very low | 60 Ų | 60 | 150.5 Ų | 150.5 | 62% | 0.619 | 79% | 0.79 | S | S | * | * | | | | 93.9 | 138.1 | 52.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 461 | Y | 42.3 | Very low | 41.6 | Very low | 220 Ų | 220 | 147.9 Ų | 147.9 | 86% | 0.863 | 79% | 0.786 | S | S | * | * | | | cis | -151.2 | 167.9 | 16.2 | -56.3 | -88.4 | 0 | 0 | 0 | 111.7 | P459 | P459-Y461 HydrophobicContact CB-CE2 4.08Š|
| 462 | E | 39.9 | Very low | 42 | Very low | 183 Ų | 183 | 150.3 Ų | 150.3 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | | | trans | -116.3 | 133.1 | -180 | 176 | -176.5 | -131 | 0 | 0 | 111.1 | | |
| 463 | K | 42.3 | Very low | 42.1 | Very low | 199 Ų | 199 | 152.4 Ų | 152.4 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | | | trans | 165.6 | 151.5 | 161 | -97.9 | 160.3 | -177.8 | -179.4 | 0 | 110.1 | | |
| 464 | S | 43.8 | Very low | 42.5 | Very low | 81 Ų | 81 | 152.6 Ų | 152.6 | 57% | 0.566 | 79% | 0.787 | S | S | * | * | | | cis | -179.4 | 135.4 | -24 | 49.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 465 | Y | 42.4 | Very low | 42.2 | Very low | 215 Ų | 215 | 154.2 Ų | 154.2 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | | | trans | 63.5 | 161.9 | -177.6 | -54.4 | -82.6 | 0 | 0 | 0 | 113 | | |
| 466 | L | 42.6 | Very low | 42.3 | Very low | 149 Ų | 149 | 148.8 Ų | 148.8 | 78% | 0.78 | 79% | 0.791 | S | S | * | * | | | cis | -147.4 | 164.8 | 15.5 | -147.5 | 141.5 | 0 | 0 | 0 | 110.2 | | |
| 467 | D | 46.5 | Very low | 42.6 | Very low | 134 Ų | 134 | 155.6 Ų | 155.6 | 72% | 0.717 | 80% | 0.798 | S | S | * | * | | | trans | -64.6 | 130.4 | 179.7 | -44 | -103.3 | 0 | 0 | 0 | 113.8 | | |
| 468 | Y | 43.6 | Very low | 42.5 | Very low | 303 Ų | 303 | 156.4 Ų | 156.4 | 100% | 1.188 | 79% | 0.79 | S | S | * | * | | | | -169.6 | 0 | 125.7 | -118.7 | -75.7 | 0 | 0 | 0 | 112.5 | | |