| 1 | M | 49.4 | Very low | 51.6 | Low | 244 Ų | 244 | 170.5 Ų | 170.5 | 100% | 1.202 | 84% | 0.836 | S | S | * | * | | | | 0 | 103.8 | 0 | -78 | 174.4 | 157.7 | 0 | 0 | 108.8 | | |
| 2 | S | 45 | Very low | 51.7 | Low | 126 Ų | 126 | 168.8 Ų | 168.8 | 88% | 0.881 | 82% | 0.824 | S | S | * | * | | | trans | -87.4 | 127.6 | -173.7 | -54.1 | 0 | 0 | 0 | 0 | 111.5 | Q4 | S2-Q4 PolarHBondContact O-N 3.32Š|
| 3 | R | 47.8 | Very low | 51.2 | Low | 234 Ų | 234 | 164.8 Ų | 164.8 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | | | trans | -82.6 | 104.1 | 179.1 | -66 | -177.8 | -174.4 | -117.5 | 2.7 | 110.7 | I5 | R3-I5 PolarHBondContact O-N 3.15Š|
| 4 | Q | 51.4 | Low | 51.2 | Low | 199 Ų | 199 | 162.4 Ų | 162.4 | 93% | 0.93 | 80% | 0.801 | S | S | * | * | | | trans | -74.4 | 110.6 | 161.2 | -73.6 | -178.6 | -15.3 | 0 | 0 | 109.1 | S2 | S2-Q4 PolarHBondContact O-N 3.32Š|
| 5 | I | 57.5 | Low | 51.1 | Low | 151 Ų | 151 | 166.9 Ų | 166.9 | 77% | 0.774 | 81% | 0.805 | S | S | * | * | | | trans | -97.1 | 129.7 | 173 | -65.4 | 179.1 | 0 | 0 | 0 | 109 | R3 Q7 | R3-I5 PolarHBondContact O-N 3.15Å; I5-Q7 PolarHBondContact O-N 2.75Å |
| 6 | S | 52.5 | Low | 51.1 | Low | 91 Ų | 91 | 168.4 Ų | 168.4 | 64% | 0.636 | 80% | 0.8 | S | S | * | * | | | trans | -76.3 | 122.6 | -159.1 | -155.4 | 0 | 0 | 0 | 0 | 114 | K8 | S6-K8 PolarHBondContact O-N 2.96Š|
| 7 | Q | 57.2 | Low | 51.3 | Low | 195 Ų | 195 | 167.7 Ų | 167.7 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | | | trans | -74.4 | 43.5 | -179 | -158.5 | 173.7 | 13.2 | 0 | 0 | 113.3 | I5 | I5-Q7 PolarHBondContact O-N 2.75Š|
| 8 | K | 56.8 | Low | 51.2 | Low | 185 Ų | 185 | 167.9 Ų | 167.9 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | -109.8 | 9.4 | -162.6 | -91.5 | -172.4 | 175.7 | -179.6 | 0 | 117.2 | S6 | S6-K8 PolarHBondContact O-N 2.96Š|
| 9 | R | 49.6 | Very low | 51 | Low | 237 Ų | 237 | 164.4 Ų | 164.4 | 89% | 0.894 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -113.5 | -8.2 | -172.2 | -77.3 | -172.8 | 173.6 | 177.9 | -1.1 | 118.3 | | |
| 10 | S | 49 | Very low | 50.9 | Low | 81 Ų | 81 | 165.5 Ų | 165.5 | 57% | 0.566 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -78.1 | -33 | -177 | 57.3 | 0 | 0 | 0 | 0 | 114.9 | Q12 | S10-Q12 VanDerWaalsContact C-N 3.3Å; S10-Q12 PolarHBondContact O-N 3.43Å |
| 11 | N | 51.2 | Low | 50.9 | Low | 133 Ų | 133 | 165.6 Ų | 165.6 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | H | α-helix | trans | -76.2 | -6 | -168.7 | -72.5 | -28.5 | 0 | 0 | 0 | 115.7 | | |
| 12 | Q | 52.6 | Low | 50.8 | Low | 149 Ų | 149 | 159.4 Ų | 159.4 | 70% | 0.696 | 77% | 0.77 | S | S | * | * | H | α-helix | trans | -87.9 | -12.6 | -177.1 | -140.9 | 179.2 | 19.2 | 0 | 0 | 114.3 | S10 | S10-Q12 VanDerWaalsContact C-N 3.3Å; S10-Q12 PolarHBondContact O-N 3.43Å |
| 13 | N | 45.1 | Very low | 51.1 | Low | 118 Ų | 118 | 160.7 Ų | 160.7 | 63% | 0.631 | 77% | 0.767 | S | S | * | * | H | α-helix | trans | -97.1 | -27 | 178.4 | -83.7 | -23 | 0 | 0 | 0 | 114.2 | R15 | N13-R15 VanDerWaalsContact C-N 3.3Å; N13-R15 PolarHBondContact O-N 3.28Å |
| 14 | L | 52 | Low | 51.2 | Low | 131 Ų | 131 | 155.8 Ų | 155.8 | 69% | 0.686 | 76% | 0.758 | S | S | * | * | H | α-helix | trans | -66.1 | -31.6 | 174.2 | -100.1 | 69.1 | 0 | 0 | 0 | 112.7 | R16 Q17 | L14-R16 PolarHBondContact O-N 3.35Å; L14-R16 VanDerWaalsContact O-N 3.15Å; L14-Q17 PolarHBondContact O-N 3.05Å |
| 15 | R | 49.4 | Very low | 50.7 | Low | 229 Ų | 229 | 153.7 Ų | 153.7 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -1 | -172.4 | -150.1 | 175.5 | 178.8 | -162.8 | -1.4 | 114.9 | N13 | N13-R15 VanDerWaalsContact C-N 3.3Å; N13-R15 PolarHBondContact O-N 3.28Å |
| 16 | R | 51.3 | Low | 50.1 | Low | 191 Ų | 191 | 154.3 Ų | 154.3 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -6.7 | 177.4 | -60.3 | -172 | -158.9 | -119.8 | 4.6 | 114.5 | L14 | L14-R16 PolarHBondContact O-N 3.35Å; L14-R16 VanDerWaalsContact O-N 3.15Å |
| 17 | Q | 53.7 | Low | 49.4 | Very low | 157 Ų | 157 | 157.5 Ų | 157.5 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -97.7 | -1.3 | -171.3 | -71 | -73.2 | -26.7 | 0 | 0 | 115 | L14 | L14-Q17 PolarHBondContact O-N 3.05Š|
| 18 | H | 49.9 | Very low | 48.8 | Very low | 172 Ų | 172 | 152.7 Ų | 152.7 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | | | trans | -130.4 | 29.9 | -169.7 | -65 | -64.1 | 0 | 0 | 0 | 115.3 | | |
| 19 | S | 47.5 | Very low | 47.9 | Very low | 100 Ų | 100 | 154.3 Ų | 154.3 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | | | trans | -107.7 | 60 | 176.9 | -165.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 20 | M | 48.1 | Very low | 47.9 | Very low | 186 Ų | 186 | 150.3 Ų | 150.3 | 92% | 0.916 | 76% | 0.759 | S | S | * | * | | | trans | -91.9 | 103.9 | 148.2 | -68.8 | -144.6 | -47 | 0 | 0 | 107.1 | | |
| 21 | K | 51.2 | Low | 47.6 | Very low | 168 Ų | 168 | 154.6 Ų | 154.6 | 73% | 0.73 | 77% | 0.77 | S | S | * | * | | | trans | -79.9 | 125 | 163.5 | -72.6 | -173.8 | 171.7 | -168.4 | 0 | 107.6 | D23 | K21-D23 PolarHBondContact O-N 3.19Š|
| 22 | T | 47.1 | Very low | 46.9 | Very low | 115 Ų | 115 | 153.2 Ų | 153.2 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | | | trans | -68.7 | 110.1 | 153.4 | 41.4 | 0 | 0 | 0 | 0 | 106.3 | D24 | T22-D24 PolarHBondContact O-N 3.31Š|
| 23 | D | 52.9 | Low | 46.3 | Very low | 153 Ų | 153 | 152.4 Ų | 152.4 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | -79.6 | 99.6 | 164.4 | -68.8 | -31 | 0 | 0 | 0 | 105.8 | K21 | K21-D23 PolarHBondContact O-N 3.19Š|
| 24 | D | 48.5 | Very low | 45.9 | Very low | 131 Ų | 131 | 153.1 Ų | 153.1 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | | | trans | -67.9 | 161.3 | 177.7 | -74.3 | -56.8 | 0 | 0 | 0 | 111.5 | T22 D26 | T22-D24 PolarHBondContact O-N 3.31Å; D24-D26 PolarHBondContact O-N 2.98Å |
| 25 | L | 42.1 | Very low | 45.4 | Very low | 154 Ų | 154 | 156 Ų | 156 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | | | trans | -58.4 | 129.8 | -174.1 | -72.1 | 64 | 0 | 0 | 0 | 112.2 | | |
| 26 | D | 44.9 | Very low | 44.8 | Very low | 165 Ų | 165 | 149.9 Ų | 149.9 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | | | trans | -121.8 | 124.6 | 155 | -101.1 | -36.6 | 0 | 0 | 0 | 110.1 | D24 | D24-D26 PolarHBondContact O-N 2.98Š|
| 27 | N | 37.1 | Very low | 44 | Very low | 158 Ų | 158 | 146.6 Ų | 146.6 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | | | trans | -78.7 | 121.8 | 177.4 | -71.8 | -55.4 | 0 | 0 | 0 | 110.3 | | |
| 28 | A | 44.6 | Very low | 43.4 | Very low | 94 Ų | 94 | 146.4 Ų | 146.4 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | | | trans | -150.3 | 105 | 160.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 29 | Y | 37.6 | Very low | 42.7 | Very low | 219 Ų | 219 | 143.5 Ų | 143.5 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | | | trans | 19.6 | 132.7 | 135.2 | -131.9 | -97.8 | 0 | 0 | 0 | 119.6 | | |
| 30 | I | 49.4 | Very low | 42.6 | Very low | 153 Ų | 153 | 144.1 Ų | 144.1 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | | | trans | 139.3 | 128.2 | 155.5 | -76.3 | 154 | 0 | 0 | 0 | 106.8 | | |
| 31 | E | 42.7 | Very low | 42.1 | Very low | 171 Ų | 171 | 142.8 Ų | 142.8 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | | | cis | -175.9 | 159.6 | -15.3 | -175.2 | 162.2 | -169.1 | 0 | 0 | 103.7 | | |
| 32 | S | 36.6 | Very low | 41.7 | Very low | 104 Ų | 104 | 145.3 Ų | 145.3 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | trans | -65.2 | 148.1 | -168.4 | -49.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 33 | C | 40.9 | Very low | 41.6 | Very low | 131 Ų | 131 | 147.4 Ų | 147.4 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | | | trans | -152.9 | 128.3 | 143.1 | -116.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 34 | D | 37.4 | Very low | 40.8 | Very low | 133 Ų | 133 | 148.9 Ų | 148.9 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | | | trans | -72.7 | 163 | -170.9 | -52 | -85.9 | 0 | 0 | 0 | 113.5 | | |
| 35 | F | 40.7 | Very low | 40.5 | Very low | 191 Ų | 191 | 149.5 Ų | 149.5 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | | | | -177.2 | 110.9 | 107.6 | -110.1 | -86.4 | 0 | 0 | 0 | 113 | | |
| 36 | C | 36.3 | Very low | 40.3 | Very low | 102 Ų | 102 | 148.7 Ų | 148.7 | 69% | 0.689 | 80% | 0.801 | S | S | * | * | | | trans | 42.6 | 102.2 | 145.7 | -58.6 | 0 | 0 | 0 | 0 | 120.9 | | |
| 37 | S | 35.6 | Very low | 40 | Very low | 122 Ų | 122 | 146.6 Ų | 146.6 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | | | trans | -47 | 138.3 | 143 | -52.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 38 | N | 40.8 | Very low | 40 | Very low | 152 Ų | 152 | 146.5 Ų | 146.5 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | | | trans | -134.2 | 94.2 | 165.4 | -121.1 | -25.4 | 0 | 0 | 0 | 110.7 | | |
| 39 | S | 34.8 | Very low | 40.2 | Very low | 111 Ų | 111 | 147.6 Ų | 147.6 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | | | trans | -83.3 | 112.8 | 173.1 | 50.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 40 | V | 44.7 | Very low | 40.6 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | | | trans | -125.1 | 83.8 | 168.6 | -173.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 41 | Q | 38.4 | Very low | 40.1 | Very low | 158 Ų | 158 | 142.6 Ų | 142.6 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | | | trans | -22.1 | 125.9 | 147.7 | -177.7 | 172.6 | 7.9 | 0 | 0 | 116 | Q43 | Q41-Q43 HydrophobicContact CG-CG 4.38Š|
| 42 | R | 43.7 | Very low | 40.1 | Very low | 221 Ų | 221 | 143 Ų | 143 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | | | trans | -159.6 | 84.3 | 150.8 | -108.7 | -178.1 | -76.3 | -122 | 3 | 107.1 | | |
| 43 | Q | 44.7 | Very low | 40.3 | Very low | 160 Ų | 160 | 146.3 Ų | 146.3 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | | | | 69.3 | 120.8 | 91.9 | -79.8 | -171.1 | -32 | 0 | 0 | 114.2 | Q41 | Q41-Q43 HydrophobicContact CG-CG 4.38Š|
| 44 | H | 35.6 | Very low | 40.3 | Very low | 184 Ų | 184 | 148.7 Ų | 148.7 | 85% | 0.852 | 80% | 0.8 | S | S | * | * | | | trans | -61.7 | 147.6 | 169 | -62.7 | -116.4 | 0 | 0 | 0 | 111.5 | | |
| 45 | T | 42.7 | Very low | 40.5 | Very low | 144 Ų | 144 | 146.8 Ų | 146.8 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | | | trans | -155.5 | 139.3 | 134.8 | 24.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 46 | T | 37 | Very low | 40.5 | Very low | 136 Ų | 136 | 148.3 Ų | 148.3 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | | | trans | -107 | 127.2 | 174.6 | 47.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 47 | S | 39.1 | Very low | 40.8 | Very low | 122 Ų | 122 | 150.3 Ų | 150.3 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | | | trans | -169 | 137.7 | 156.6 | 40.8 | 0 | 0 | 0 | 0 | 113 | | |
| 48 | N | 36.4 | Very low | 40.9 | Very low | 156 Ų | 156 | 150.7 Ų | 150.7 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | | | trans | -104.5 | 180 | 173.9 | -80.1 | -32.6 | 0 | 0 | 0 | 110.3 | | |
| 49 | P | 48.9 | Very low | 40.9 | Very low | 117 Ų | 117 | 154.6 Ų | 154.6 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | | | cis | -115.5 | -98.7 | -30.6 | 23.8 | -0.4 | 0 | 0 | 0 | 110.4 | | |
| 50 | P | 45.4 | Very low | 41.2 | Very low | 119 Ų | 119 | 155.3 Ų | 155.3 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | | | cis | -113.1 | -149.9 | -7.1 | 44.2 | -30.2 | 0 | 0 | 0 | 114.4 | | |
| 51 | N | 39.9 | Very low | 40.9 | Very low | 148 Ų | 148 | 156.6 Ų | 156.6 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | | | trans | -75.1 | 158.6 | -179.4 | -71.4 | -33.4 | 0 | 0 | 0 | 115.5 | | |
| 52 | E | 43.5 | Very low | 41.3 | Very low | 178 Ų | 178 | 157.6 Ų | 157.6 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | | | | -177.2 | 146.1 | 102.7 | -100.4 | 173.3 | -153.6 | 0 | 0 | 116 | | |
| 53 | M | 40.7 | Very low | 41.3 | Very low | 174 Ų | 174 | 156.3 Ų | 156.3 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | | | trans | 73.1 | 100.4 | 164.5 | -61.4 | -156.1 | -72.4 | 0 | 0 | 122.4 | | |
| 54 | Q | 39.1 | Very low | 41 | Very low | 181 Ų | 181 | 158 Ų | 158 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | | | trans | -59.6 | 177.8 | 147.1 | -121.4 | 89.6 | 10.4 | 0 | 0 | 113.4 | | |
| 55 | S | 42.1 | Very low | 41.4 | Very low | 93 Ų | 93 | 155.1 Ų | 155.1 | 65% | 0.65 | 81% | 0.807 | S | S | * | * | | | trans | 89.6 | 140.1 | 176.1 | 79.9 | 0 | 0 | 0 | 0 | 114.9 | | |
| 56 | Y | 40.3 | Very low | 41.3 | Very low | 223 Ų | 223 | 156.1 Ų | 156.1 | 88% | 0.875 | 81% | 0.806 | S | S | * | * | | | cis | -126.8 | 151.1 | 16.2 | -90.6 | -100.9 | 0 | 0 | 0 | 114.4 | | |
| 57 | L | 44.3 | Very low | 41.6 | Very low | 145 Ų | 145 | 158 Ų | 158 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | | | trans | -85.9 | 164.2 | 166 | -139.1 | 71.6 | 0 | 0 | 0 | 110.6 | | |
| 58 | D | 37.6 | Very low | 41.6 | Very low | 130 Ų | 130 | 159.8 Ų | 159.8 | 70% | 0.695 | 80% | 0.802 | S | S | * | * | | | trans | 51.8 | 113.2 | 159.7 | -62.7 | -31.4 | 0 | 0 | 0 | 120.3 | | |
| 59 | Y | 39.4 | Very low | 41.7 | Very low | 234 Ų | 234 | 159.5 Ų | 159.5 | 92% | 0.918 | 80% | 0.801 | S | S | * | * | | | trans | -168.3 | 106.7 | 133.5 | -94.7 | -63.9 | 0 | 0 | 0 | 111.2 | | |
| 60 | S | 41.4 | Very low | 41.3 | Very low | 125 Ų | 125 | 159.1 Ų | 159.1 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | | | trans | 165.8 | 74.4 | 136.9 | -77.8 | 0 | 0 | 0 | 0 | 114 | | |
| 61 | T | 38.4 | Very low | 41.2 | Very low | 141 Ų | 141 | 163.5 Ų | 163.5 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | | | trans | -100.4 | 106.2 | 155.7 | -70.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 62 | K | 47.2 | Very low | 41.2 | Very low | 178 Ų | 178 | 161.4 Ų | 161.4 | 77% | 0.774 | 80% | 0.796 | S | S | * | * | | | trans | -155.2 | 122.5 | 162.5 | -71.6 | -158.3 | 178.5 | 177.7 | 0 | 113.6 | | |
| 63 | R | 42.9 | Very low | 41 | Very low | 194 Ų | 194 | 157.9 Ų | 157.9 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | | | trans | 69.7 | 147.6 | 158.2 | -17.3 | -165 | -170.5 | -154.6 | 1.7 | 116.5 | | |
| 64 | Y | 40.1 | Very low | 41 | Very low | 195 Ų | 195 | 155 Ų | 155 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | | | cis | -136.7 | 149.6 | 12.6 | -98.5 | -84.1 | 0 | 0 | 0 | 112.7 | | |
| 65 | T | 42.5 | Very low | 41.1 | Very low | 125 Ų | 125 | 150 Ų | 150 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | | | trans | -93.9 | 146.2 | 159.6 | 48 | 0 | 0 | 0 | 0 | 109.9 | | |
| 66 | N | 41.1 | Very low | 41.2 | Very low | 165 Ų | 165 | 156 Ų | 156 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | | | trans | -151.5 | 121.2 | 154.9 | -102 | -30.8 | 0 | 0 | 0 | 109.5 | | |
| 67 | Q | 42.3 | Very low | 41.3 | Very low | 174 Ų | 174 | 150.8 Ų | 150.8 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | | | trans | -97.6 | 173.3 | 171.6 | -63.7 | -174.8 | 4.4 | 0 | 0 | 110 | | |
| 68 | M | 39 | Very low | 41.3 | Very low | 160 Ų | 160 | 150.7 Ų | 150.7 | 79% | 0.788 | 80% | 0.801 | S | S | * | * | | | trans | 66 | 112.6 | 164.3 | -67.2 | -173.4 | 150 | 0 | 0 | 117.8 | | |
| 69 | N | 40.2 | Very low | 41.6 | Very low | 150 Ų | 150 | 149.6 Ų | 149.6 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | | | | -144.3 | 106.1 | 128.3 | -108.1 | -30.2 | 0 | 0 | 0 | 109.3 | | |
| 70 | T | 40 | Very low | 42.3 | Very low | 109 Ų | 109 | 144 Ų | 144 | 67% | 0.669 | 80% | 0.796 | S | S | * | * | | | trans | -83.7 | 119.9 | 172.9 | -52.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 71 | Y | 42.2 | Very low | 42.3 | Very low | 211 Ų | 211 | 147 Ų | 147 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | | | trans | -132.2 | 129.2 | 162.9 | -86 | -80.4 | 0 | 0 | 0 | 111.2 | | |
| 72 | S | 39.8 | Very low | 42.8 | Very low | 105 Ų | 105 | 147.3 Ų | 147.3 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | | | trans | -91.3 | 169.7 | -169.3 | -53.2 | 0 | 0 | 0 | 0 | 113 | | |
| 73 | S | 41.1 | Very low | 42.8 | Very low | 104 Ų | 104 | 145 Ų | 145 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | trans | 86.8 | 110.8 | 143 | -147.8 | 0 | 0 | 0 | 0 | 119.8 | | |
| 74 | S | 40.3 | Very low | 42.7 | Very low | 112 Ų | 112 | 142.1 Ų | 142.1 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | | | trans | 53.4 | 104.7 | 132.4 | 67.1 | 0 | 0 | 0 | 0 | 120.1 | | |
| 75 | G | 41.7 | Very low | 42.9 | Very low | 77 Ų | 77 | 138.7 Ų | 138.7 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | | | trans | -157.2 | 106.2 | 159.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 76 | K | 42.3 | Very low | 42.9 | Very low | 219 Ų | 219 | 139.9 Ų | 139.9 | 95% | 0.952 | 79% | 0.786 | S | S | * | * | | | trans | -87.2 | 116.4 | 179 | -62.5 | 174 | -178.4 | 175.7 | 0 | 110.1 | | |
| 77 | S | 42.8 | Very low | 43.2 | Very low | 114 Ų | 114 | 139.4 Ų | 139.4 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | | | trans | -154.7 | 96.1 | 160.7 | 59.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 78 | V | 45.3 | Very low | 43.5 | Very low | 142 Ų | 142 | 136.1 Ų | 136.1 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | | | trans | 0.1 | 125.1 | 153.8 | -172.6 | 0 | 0 | 0 | 0 | 117.4 | | |
| 79 | S | 43.4 | Very low | 43.6 | Very low | 108 Ų | 108 | 133 Ų | 133 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | trans | -103.6 | 136 | 158.3 | -169.6 | 0 | 0 | 0 | 0 | 109.4 | H81 | S79-H81 PolarHBondContact O-N 3.16Š|
| 80 | P | 54.2 | Low | 43.9 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | | | trans | -75.1 | 116.1 | -174.6 | 29.1 | -33.4 | 0 | 0 | 0 | 111.9 | | |
| 81 | H | 41.9 | Very low | 43.9 | Very low | 188 Ų | 188 | 131.2 Ų | 131.2 | 87% | 0.87 | 77% | 0.771 | S | S | * | * | | | trans | -98.7 | 89.8 | -176.2 | -162.3 | -9.4 | 0 | 0 | 0 | 110.5 | S79 | S79-H81 PolarHBondContact O-N 3.16Š|
| 82 | L | 47.8 | Very low | 44.2 | Very low | 148 Ų | 148 | 125.3 Ų | 125.3 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | | | trans | -151.7 | 133 | 172.8 | -69 | 179.6 | 0 | 0 | 0 | 107.6 | | |
| 83 | L | 47 | Very low | 44.5 | Very low | 129 Ų | 129 | 128.3 Ų | 128.3 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | | | cis | -149.9 | 146.9 | 2 | -95.6 | 145.3 | 0 | 0 | 0 | 109.3 | | |
| 84 | N | 42.1 | Very low | 44.1 | Very low | 133 Ų | 133 | 128.3 Ų | 128.3 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | | | trans | 55.1 | 111.4 | 148.7 | -60.5 | -1 | 0 | 0 | 0 | 119.2 | | |
| 85 | V | 43.8 | Very low | 44.2 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 75% | 0.745 | 76% | 0.764 | S | S | * | * | | | | 61.7 | 102.2 | 79.2 | 176.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 86 | L | 42.8 | Very low | 44.1 | Very low | 151 Ų | 151 | 131.7 Ų | 131.7 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | | | | -145.9 | 128.1 | 64.9 | -73.7 | 149.2 | 0 | 0 | 0 | 112.9 | | |
| 87 | N | 46.1 | Very low | 44.4 | Very low | 155 Ų | 155 | 128 Ų | 128 | 83% | 0.829 | 76% | 0.762 | S | S | * | * | | | trans | -118.2 | 90.5 | 157.6 | -170.1 | 7.1 | 0 | 0 | 0 | 107.3 | S89 | N87-S89 VanDerWaalsContact C-N 3.31Å; N87-S89 PolarHBondContact O-N 2.97Å |
| 88 | P | 48.7 | Very low | 44.7 | Very low | 104 Ų | 104 | 126.4 Ų | 126.4 | 68% | 0.675 | 76% | 0.756 | S | S | * | * | | | trans | -81.5 | 78.5 | -172.6 | 33.6 | -33.8 | 0 | 0 | 0 | 110.5 | | |
| 89 | S | 42.5 | Very low | 44.6 | Very low | 95 Ų | 95 | 126.3 Ų | 126.3 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | | | trans | -56.4 | 131.1 | 148.5 | -90.6 | 0 | 0 | 0 | 0 | 107.6 | N87 S91 | N87-S89 VanDerWaalsContact C-N 3.31Å; N87-S89 PolarHBondContact O-N 2.97Å; S89-S91 PolarHBondContact O-N 3.27Å |
| 90 | P | 45.5 | Very low | 44.7 | Very low | 133 Ų | 133 | 126.8 Ų | 126.8 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | | | trans | -73.1 | 72.9 | 175.8 | 30.7 | -34.7 | 0 | 0 | 0 | 110.2 | A92 | P90-A92 PolarHBondContact O-N 2.93Å; P90-A92 VanDerWaalsContact O-N 3.15Å |
| 91 | S | 40.5 | Very low | 44.8 | Very low | 88 Ų | 88 | 132.2 Ų | 132.2 | 62% | 0.615 | 76% | 0.764 | S | S | * | * | | | trans | -75.4 | 93.7 | 162.6 | 174.8 | 0 | 0 | 0 | 0 | 108.2 | S89 | S89-S91 PolarHBondContact O-N 3.27Š|
| 92 | A | 47.9 | Very low | 44.9 | Very low | 88 Ų | 88 | 129.4 Ų | 129.4 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | trans | -119.9 | 114.2 | 150.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | P90 S94 | P90-A92 PolarHBondContact O-N 2.93Å; P90-A92 VanDerWaalsContact O-N 3.15Å; A92-S94 VanDerWaalsContact CA-N 3.28Å |
| 93 | H | 46.1 | Very low | 45.1 | Very low | 168 Ų | 168 | 127.8 Ų | 127.8 | 78% | 0.778 | 76% | 0.761 | S | S | * | * | S | Bend | cis | 36.6 | 50.6 | -4.7 | -63.6 | -51.3 | 0 | 0 | 0 | 116.5 | | |
| 94 | S | 34.2 | Very low | 45.4 | Very low | 104 Ų | 104 | 129.9 Ų | 129.9 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 47.5 | 141.3 | 150.6 | 58.7 | 0 | 0 | 0 | 0 | 120.9 | A92 | A92-S94 VanDerWaalsContact CA-N 3.28Š|
| 95 | S | 42 | Very low | 46 | Very low | 98 Ų | 98 | 132.2 Ų | 132.2 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | | | trans | 87.2 | 90 | 159.8 | -162.3 | 0 | 0 | 0 | 0 | 117.2 | | |
| 96 | L | 39.1 | Very low | 46.4 | Very low | 161 Ų | 161 | 131.2 Ų | 131.2 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | | | | 37 | 118.2 | 113.8 | -55.2 | 167.9 | 0 | 0 | 0 | 117.2 | | |
| 97 | V | 48.4 | Very low | 47 | Very low | 141 Ų | 141 | 128 Ų | 128 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | | | | -175.5 | 127.9 | 113.4 | 146.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 98 | A | 49.5 | Very low | 47.4 | Very low | 82 Ų | 82 | 129 Ų | 129 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | | | trans | 43.3 | 102.8 | 151.2 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 99 | V | 42.2 | Very low | 47.5 | Very low | 139 Ų | 139 | 130.5 Ų | 130.5 | 84% | 0.842 | 76% | 0.756 | S | S | * | * | | | | 24.8 | 118.5 | 117.1 | -169.4 | 0 | 0 | 0 | 0 | 118.7 | | |
| 100 | S | 46.7 | Very low | 47.9 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | | | trans | -135.4 | 91.8 | 152 | -162.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 101 | R | 56.4 | Low | 48.4 | Very low | 230 Ų | 230 | 135.5 Ų | 135.5 | 87% | 0.868 | 76% | 0.762 | S | S | * | * | | | trans | 35 | 101.1 | 146.1 | -56.9 | -176.8 | -172.5 | 172.4 | 3.6 | 118.8 | S103 | R101-S103 PolarHBondContact O-N 3.08Š|
| 102 | V | 43.9 | Very low | 49 | Very low | 128 Ų | 128 | 137.7 Ų | 137.7 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | | | trans | -30.7 | 119.4 | 146.9 | 179.3 | 0 | 0 | 0 | 0 | 112.6 | Q104 | V102-Q104 HydrophobicContact CG1-CG 3.99Š|
| 103 | S | 52.7 | Low | 48.8 | Very low | 115 Ų | 115 | 139.3 Ų | 139.3 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | trans | -88.1 | 109.6 | 153.7 | 61.7 | 0 | 0 | 0 | 0 | 107.9 | R101 | R101-S103 PolarHBondContact O-N 3.08Š|
| 104 | Q | 52.3 | Low | 49 | Very low | 173 Ų | 173 | 135.6 Ų | 135.6 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | | | trans | -62.2 | 138.7 | -177 | -65.2 | 170.4 | -9.1 | 0 | 0 | 110.5 | V102 | V102-Q104 HydrophobicContact CG1-CG 3.99Š|
| 105 | Q | 54.1 | Low | 49.8 | Very low | 182 Ų | 182 | 139.6 Ų | 139.6 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | | | trans | -62.6 | 140.4 | 159.2 | -70.3 | -171.7 | -43.8 | 0 | 0 | 108.3 | S107 | Q105-S107 VanDerWaalsContact C-N 3.35Å; Q105-S107 PolarHBondContact O-N 3.47Å |
| 106 | P | 54 | Low | 50.2 | Low | 102 Ų | 102 | 140 Ų | 140 | 66% | 0.662 | 78% | 0.778 | S | S | * | * | | | trans | -70.6 | 97.6 | 162.2 | 29.4 | -29.9 | 0 | 0 | 0 | 107.8 | F108 | P106-F108 HydrophobicContact CB-CD2 4.17Å; P106-F108 HydrophobicContact CB-CE2 3.89Å; P106-F108 HydrophobicContact CG-CE2 4.41Å; P106-F108 PolarHBondContact O-N 3.09Å |
| 107 | S | 54.4 | Low | 50.6 | Low | 84 Ų | 84 | 137.1 Ų | 137.1 | 59% | 0.587 | 78% | 0.778 | S | S | * | * | | | trans | -60.9 | 116.5 | 152.8 | 56.2 | 0 | 0 | 0 | 0 | 106.3 | Q105 E109 | Q105-S107 VanDerWaalsContact C-N 3.35Å; Q105-S107 PolarHBondContact O-N 3.47Å; S107-E109 VanDerWaalsContact C-N 3.31Å; S107-E109 VanDerWaalsContact CB-OE2 3.27Å; S107-E109 WeakPolarHBondContact CB-OE2 3.28Å; S107-E109 PolarHBondContact O-N 3.37Å; S107-E109 PolarHBondContact OG-OE2 3.47Å |
| 108 | F | 54.8 | Low | 50.7 | Low | 174 Ų | 174 | 135.7 Ų | 135.7 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | | | trans | -89.3 | 86.3 | 161.7 | -85.2 | -80.4 | 0 | 0 | 0 | 106.8 | P106 S110 | P106-F108 HydrophobicContact CB-CD2 4.17Å; P106-F108 HydrophobicContact CB-CE2 3.89Å; P106-F108 HydrophobicContact CG-CE2 4.41Å; P106-F108 PolarHBondContact O-N 3.09Å; F108-S110 PolarHBondContact O-N 3.25Å |
| 109 | E | 49.8 | Very low | 50.5 | Low | 137 Ų | 137 | 136.8 Ų | 136.8 | 64% | 0.64 | 77% | 0.772 | S | S | * | * | | | trans | -36.8 | 135.6 | 158.7 | -96.1 | 67.2 | -169.8 | 0 | 0 | 110.7 | S107 Y111 | S107-E109 VanDerWaalsContact C-N 3.31Å; S107-E109 VanDerWaalsContact CB-OE2 3.27Å; S107-E109 WeakPolarHBondContact CB-OE2 3.28Å; S107-E109 PolarHBondContact O-N 3.37Å; S107-E109 PolarHBondContact OG-OE2 3.47Å; E109-Y111 PolarHBondContact O-N 3.09Å |
| 110 | S | 51.9 | Low | 51 | Low | 115 Ų | 115 | 142 Ų | 142 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | trans | -35.6 | 115.5 | 179.2 | 44.7 | 0 | 0 | 0 | 0 | 114.6 | F108 D112 | F108-S110 PolarHBondContact O-N 3.25Å; S110-D112 PolarHBondContact O-N 3.13Å |
| 111 | Y | 56.2 | Low | 51.1 | Low | 218 Ų | 218 | 142.1 Ų | 142.1 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | | | trans | -66.2 | 119.3 | 162.8 | -107.6 | -87.7 | 0 | 0 | 0 | 109.7 | E109 | E109-Y111 PolarHBondContact O-N 3.09Š|
| 112 | D | 51.8 | Low | 50.3 | Low | 133 Ų | 133 | 136.3 Ų | 136.3 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | | | trans | -62.4 | 143.3 | -180 | -172.8 | 15.9 | 0 | 0 | 0 | 112 | S110 S114 | S110-D112 PolarHBondContact O-N 3.13Å; D112-S114 VanDerWaalsContact C-N 3.32Å; D112-S114 PolarHBondContact O-N 2.78Å |
| 113 | S | 44.2 | Very low | 50.2 | Low | 123 Ų | 123 | 135.2 Ų | 135.2 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -85.7 | 66.4 | -172 | -68.4 | 0 | 0 | 0 | 0 | 112 | | |
| 114 | S | 50.8 | Low | 49.8 | Very low | 89 Ų | 89 | 136.7 Ų | 136.7 | 62% | 0.622 | 76% | 0.764 | S | S | * | * | | | trans | -135.5 | 32.5 | -176.7 | 61.3 | 0 | 0 | 0 | 0 | 115.6 | D112 | D112-S114 VanDerWaalsContact C-N 3.32Å; D112-S114 PolarHBondContact O-N 2.78Å |
| 115 | M | 50.9 | Low | 49.3 | Very low | 189 Ų | 189 | 134.3 Ų | 134.3 | 93% | 0.931 | 76% | 0.757 | S | S | * | * | | | trans | -98.1 | 94.9 | 161.6 | -78.4 | -165.5 | 71.3 | 0 | 0 | 111.8 | | |
| 116 | S | 51 | Low | 49 | Very low | 105 Ų | 105 | 131 Ų | 131 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | | | trans | -50.7 | 139.2 | 176 | -58.5 | 0 | 0 | 0 | 0 | 113.2 | T118 | S116-T118 PolarHBondContact O-N 3Š|
| 117 | A | 46.3 | Very low | 48.5 | Very low | 102 Ų | 102 | 133 Ų | 133 | 84% | 0.843 | 76% | 0.756 | S | S | * | * | | | trans | -56.3 | 106 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 118 | T | 50.9 | Low | 48.1 | Very low | 111 Ų | 111 | 136 Ų | 136 | 68% | 0.681 | 77% | 0.765 | S | S | * | * | | | trans | -95.3 | 116 | 163.8 | 37 | 0 | 0 | 0 | 0 | 108.5 | S116 W120 | S116-T118 PolarHBondContact O-N 3Å; T118-W120 VanDerWaalsContact O-CD1 3.26Å; T118-W120 PolarHBondContact O-N 3.4Å |
| 119 | S | 46.4 | Very low | 47.2 | Very low | 105 Ų | 105 | 135.3 Ų | 135.3 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | | | trans | -66.2 | 114.8 | -167.3 | -50.8 | 0 | 0 | 0 | 0 | 113.4 | T121 | S119-T121 VanDerWaalsContact C-N 3.35Å; S119-T121 PolarHBondContact O-N 2.75Å |
| 120 | W | 52.3 | Low | 46.9 | Very low | 249 Ų | 249 | 134 Ų | 134 | 94% | 0.943 | 77% | 0.769 | S | S | * | * | | | trans | -87.9 | 71.5 | 165.9 | -70.1 | 74.2 | 0 | 0 | 0 | 110.4 | T118 | T118-W120 VanDerWaalsContact O-CD1 3.26Å; T118-W120 PolarHBondContact O-N 3.4Å |
| 121 | T | 49 | Very low | 46.5 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | | | trans | -94.4 | 108.1 | 165.4 | 50.5 | 0 | 0 | 0 | 0 | 109.2 | S119 S123 | S119-T121 VanDerWaalsContact C-N 3.35Å; S119-T121 PolarHBondContact O-N 2.75Å; T121-S123 PolarHBondContact O-N 3.35Å; T121-S123 VanDerWaalsContact O-N 3.08Å |
| 122 | S | 39.6 | Very low | 45.7 | Very low | 108 Ų | 108 | 132.9 Ų | 132.9 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | | | trans | -55 | 110.5 | 177.1 | 177.8 | 0 | 0 | 0 | 0 | 111.1 | N124 | S122-N124 PolarHBondContact O-N 3.2Š|
| 123 | S | 40 | Very low | 45.2 | Very low | 105 Ų | 105 | 134.2 Ų | 134.2 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | | | trans | -72.8 | 107 | 174.5 | 178 | 0 | 0 | 0 | 0 | 110.4 | T121 | T121-S123 PolarHBondContact O-N 3.35Å; T121-S123 VanDerWaalsContact O-N 3.08Å |
| 124 | N | 44.4 | Very low | 45 | Very low | 146 Ų | 146 | 139 Ų | 139 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | | | trans | -130.8 | 61.7 | 161.6 | -87.4 | -42.6 | 0 | 0 | 0 | 108.1 | S122 | S122-N124 PolarHBondContact O-N 3.2Š|
| 125 | D | 43.4 | Very low | 44.5 | Very low | 123 Ų | 123 | 144.2 Ų | 144.2 | 66% | 0.658 | 78% | 0.782 | S | S | * | * | | | trans | -146.8 | 115.7 | 167.3 | -110.3 | -32.4 | 0 | 0 | 0 | 110.1 | D127 | D125-D127 PolarHBondContact O-N 2.76Š|
| 126 | P | 46.4 | Very low | 44.2 | Very low | 113 Ų | 113 | 140.6 Ų | 140.6 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -94.2 | 32.2 | -172.8 | 39 | -37.1 | 0 | 0 | 0 | 114.1 | | |
| 127 | D | 44.8 | Very low | 43.5 | Very low | 142 Ų | 142 | 143.5 Ų | 143.5 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | | | trans | -133.4 | 11.6 | -170.6 | -84.8 | -50.5 | 0 | 0 | 0 | 115.9 | D125 | D125-D127 PolarHBondContact O-N 2.76Š|
| 128 | L | 44.3 | Very low | 43.1 | Very low | 149 Ų | 149 | 145.4 Ų | 145.4 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | | | trans | -120 | 52.4 | -179.6 | -89.2 | 141.8 | 0 | 0 | 0 | 113.5 | T130 | L128-T130 PolarHBondContact O-N 3.16Š|
| 129 | I | 37.9 | Very low | 42.6 | Very low | 159 Ų | 159 | 147.8 Ų | 147.8 | 82% | 0.815 | 78% | 0.781 | S | S | * | * | | | trans | -92.3 | 78.3 | 165.7 | -52.4 | 177.8 | 0 | 0 | 0 | 109 | | |
| 130 | T | 42.9 | Very low | 42.3 | Very low | 108 Ų | 108 | 153.9 Ų | 153.9 | 66% | 0.663 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -172.9 | 145.3 | 156.3 | 13.1 | 0 | 0 | 0 | 0 | 109.7 | L128 | L128-T130 PolarHBondContact O-N 3.16Š|
| 131 | N | 43.6 | Very low | 41.8 | Very low | 147 Ų | 147 | 147.2 Ų | 147.2 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | S | Bend | trans | 68.8 | 46.1 | 164.7 | -52 | -20.1 | 0 | 0 | 0 | 118.5 | | |
| 132 | N | 38.7 | Very low | 41.3 | Very low | 163 Ų | 163 | 149.5 Ų | 149.5 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | | | trans | -141.1 | 59.3 | 154.9 | -94.4 | -55.6 | 0 | 0 | 0 | 111.6 | R134 | N132-R134 PolarHBondContact O-N 3.43Š|
| 133 | L | 40.9 | Very low | 41.1 | Very low | 161 Ų | 161 | 149.6 Ų | 149.6 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | | | trans | -77.4 | 99.2 | 170.9 | -149.9 | 77 | 0 | 0 | 0 | 109 | Y135 | L133-Y135 HydrophobicContact CD2-CD2 4.39Å; L133-Y135 HydrophobicContact CG-CD2 4.33Å; L133-Y135 PolarHBondContact O-N 3.25Å |
| 134 | R | 39.6 | Very low | 41 | Very low | 225 Ų | 225 | 150.6 Ų | 150.6 | 85% | 0.849 | 79% | 0.791 | S | S | * | * | | | trans | -72.5 | 113.6 | 166.6 | -73.2 | -176.9 | 177.6 | -168.4 | 0.3 | 109.4 | N132 | N132-R134 PolarHBondContact O-N 3.43Š|
| 135 | Y | 40.3 | Very low | 40.6 | Very low | 198 Ų | 198 | 150 Ų | 150 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | trans | -138.6 | 98.9 | 146.9 | -83.2 | -84.5 | 0 | 0 | 0 | 105.2 | L133 | L133-Y135 HydrophobicContact CD2-CD2 4.39Å; L133-Y135 HydrophobicContact CG-CD2 4.33Å; L133-Y135 PolarHBondContact O-N 3.25Å |
| 136 | T | 45.3 | Very low | 40.7 | Very low | 113 Ų | 113 | 153 Ų | 153 | 69% | 0.693 | 80% | 0.798 | S | S | * | * | | | | 48.9 | 116.3 | 86.7 | 65 | 0 | 0 | 0 | 0 | 112.3 | D138 | T136-D138 PolarHBondContact O-N 3.47Š|
| 137 | N | 37.2 | Very low | 40.3 | Very low | 166 Ų | 166 | 155.8 Ų | 155.8 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | | | trans | -59 | 126.1 | -173.6 | -49 | -64.7 | 0 | 0 | 0 | 111.8 | | |
| 138 | D | 37.2 | Very low | 40.1 | Very low | 142 Ų | 142 | 158.3 Ų | 158.3 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | | | trans | -143 | 114.4 | 148.9 | -150.4 | -17.1 | 0 | 0 | 0 | 110 | T136 | T136-D138 PolarHBondContact O-N 3.47Š|
| 139 | L | 41.2 | Very low | 40 | Very low | 161 Ų | 161 | 156.3 Ų | 156.3 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | | | trans | -107.2 | 62.5 | -175.9 | -81.8 | 169.6 | 0 | 0 | 0 | 109.7 | | |
| 140 | R | 39.8 | Very low | 39.8 | Very low | 232 Ų | 232 | 156.2 Ų | 156.2 | 88% | 0.875 | 80% | 0.801 | S | S | * | * | | | trans | 177.2 | 77.4 | 160.4 | -95.2 | 145.7 | -171.8 | 174.9 | 3.4 | 112.3 | | |
| 141 | S | 40.9 | Very low | 39.6 | Very low | 109 Ų | 109 | 157.8 Ų | 157.8 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | | | trans | -151 | 113.5 | 150.1 | 53.6 | 0 | 0 | 0 | 0 | 111 | | |
| 142 | L | 39.5 | Very low | 39.1 | Very low | 170 Ų | 170 | 157 Ų | 157 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | | | trans | -79.8 | 131 | 170.1 | -75.4 | 77.8 | 0 | 0 | 0 | 108.7 | | |
| 143 | S | 34.3 | Very low | 39.2 | Very low | 109 Ų | 109 | 154.9 Ų | 154.9 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | | | trans | -154.5 | 100.2 | 144.3 | -168.3 | 0 | 0 | 0 | 0 | 110 | N145 | S143-N145 VanDerWaalsContact C-N 3.34Å; S143-N145 PolarHBondContact O-N 2.95Å; S143-N145 VanDerWaalsContact O-N 3.08Å |
| 144 | P | 38.4 | Very low | 39 | Very low | 126 Ų | 126 | 153.6 Ų | 153.6 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -85.8 | 71.7 | -176.6 | 34.7 | -34.1 | 0 | 0 | 0 | 110.8 | | |
| 145 | N | 37 | Very low | 38.8 | Very low | 135 Ų | 135 | 154.5 Ų | 154.5 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | | | trans | -155.1 | 66.1 | 174.6 | -145.3 | -7.3 | 0 | 0 | 0 | 115.7 | S143 | S143-N145 VanDerWaalsContact C-N 3.34Å; S143-N145 PolarHBondContact O-N 2.95Å; S143-N145 VanDerWaalsContact O-N 3.08Å |
| 146 | Q | 44.8 | Very low | 38.6 | Very low | 184 Ų | 184 | 149.5 Ų | 149.5 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | trans | -138.9 | 124.8 | 148.7 | -74.2 | -157.7 | 24.2 | 0 | 0 | 110.6 | F148 | Q146-F148 PolarHBondContact O-N 3.32Š|
| 147 | Q | 37.5 | Very low | 38.2 | Very low | 172 Ų | 172 | 150 Ų | 150 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | -80.1 | 108.9 | -174.4 | -65.7 | 170.4 | -42 | 0 | 0 | 111.1 | T149 | Q147-T149 HydrophobicContact CB-CG2 4.38Å; Q147-T149 PolarHBondContact O-N 2.85Å |
| 148 | F | 40.4 | Very low | 38.1 | Very low | 195 Ų | 195 | 147 Ų | 147 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | | | trans | -88.1 | 92.9 | 158.4 | -83.1 | -84.2 | 0 | 0 | 0 | 109.3 | Q146 N150 | Q146-F148 PolarHBondContact O-N 3.32Å; F148-N150 PolarHBondContact O-N 2.93Å |
| 149 | T | 42.2 | Very low | 38.3 | Very low | 108 Ų | 108 | 146.1 Ų | 146.1 | 66% | 0.663 | 79% | 0.786 | S | S | * | * | | | trans | -74.5 | 83.7 | 178.8 | 51 | 0 | 0 | 0 | 0 | 112 | Q147 | Q147-T149 HydrophobicContact CB-CG2 4.38Å; Q147-T149 PolarHBondContact O-N 2.85Å |
| 150 | N | 34 | Very low | 38.3 | Very low | 157 Ų | 157 | 144.3 Ų | 144.3 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | | | trans | -90.5 | 99.4 | 155.2 | -81.3 | -44.9 | 0 | 0 | 0 | 108.5 | F148 | F148-N150 PolarHBondContact O-N 2.93Š|
| 151 | I | 38.9 | Very low | 38.3 | Very low | 140 Ų | 140 | 140.4 Ų | 140.4 | 72% | 0.718 | 78% | 0.782 | S | S | * | * | | | trans | -123.3 | 101.3 | 171.8 | -57.6 | -177.7 | 0 | 0 | 0 | 109.9 | | |
| 152 | T | 33.6 | Very low | 38.4 | Very low | 130 Ų | 130 | 143.6 Ų | 143.6 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | | | trans | -83.9 | 119.7 | 158.1 | -64.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 153 | T | 40.1 | Very low | 38.5 | Very low | 119 Ų | 119 | 142 Ų | 142 | 73% | 0.73 | 77% | 0.773 | S | S | * | * | | | trans | -151 | 143.4 | 167.2 | -59.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 154 | N | 37.7 | Very low | 38.8 | Very low | 135 Ų | 135 | 145.5 Ų | 145.5 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | | | trans | -103.6 | 163 | -172.1 | -63.9 | -71.9 | 0 | 0 | 0 | 112.8 | | |
| 155 | R | 34.8 | Very low | 39 | Very low | 243 Ų | 243 | 145.5 Ų | 145.5 | 92% | 0.917 | 76% | 0.763 | S | S | * | * | | | trans | 65.5 | 138.5 | 158.1 | -82.2 | -179.8 | 169 | -161.2 | -3 | 116.2 | | |
| 156 | S | 36.1 | Very low | 39.3 | Very low | 93 Ų | 93 | 145.8 Ų | 145.8 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | | | cis | -176.8 | 162.7 | 25.4 | 44.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 157 | T | 37.5 | Very low | 39.4 | Very low | 124 Ų | 124 | 144.3 Ų | 144.3 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | | | trans | 54.2 | 140.6 | 146.7 | 49.6 | 0 | 0 | 0 | 0 | 121 | | |
| 158 | S | 34.9 | Very low | 39.7 | Very low | 104 Ų | 104 | 145.3 Ų | 145.3 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | cis | -158.7 | -145.8 | -8.5 | -74.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 159 | P | 41.7 | Very low | 39.7 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 79% | 0.792 | 76% | 0.761 | S | S | * | * | | | | -124.3 | 171.6 | -112.4 | 39.5 | -20.7 | 0 | 0 | 0 | 116.3 | | |
| 160 | S | 41 | Very low | 39.8 | Very low | 123 Ų | 123 | 140.8 Ų | 140.8 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | | | trans | -157.6 | 144.7 | 154.1 | -171.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 161 | I | 39.5 | Very low | 40.1 | Very low | 151 Ų | 151 | 139.3 Ų | 139.3 | 77% | 0.774 | 75% | 0.753 | S | S | * | * | | | trans | -130.4 | 133.2 | -173.7 | -63 | 171.9 | 0 | 0 | 0 | 110.1 | | |
| 162 | Q | 43.1 | Very low | 40.2 | Very low | 176 Ų | 176 | 139.9 Ų | 139.9 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | | | trans | -152.8 | 110.1 | 155 | -117 | 170.4 | -3.9 | 0 | 0 | 106.2 | | |
| 163 | E | 40.6 | Very low | 40.5 | Very low | 136 Ų | 136 | 138 Ų | 138 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | | | | 54.4 | 132.6 | 92.5 | -70.9 | -159.5 | 149.8 | 0 | 0 | 113.6 | | |
| 164 | R | 40.5 | Very low | 40.7 | Very low | 182 Ų | 182 | 139.7 Ų | 139.7 | 69% | 0.687 | 75% | 0.753 | S | S | * | * | | | cis | -166.4 | 149.6 | 24.4 | -129.3 | 174.7 | -91.1 | 149.7 | -8.7 | 110.8 | | |
| 165 | N | 43.1 | Very low | 40.8 | Very low | 127 Ų | 127 | 138.8 Ų | 138.8 | 68% | 0.679 | 75% | 0.748 | S | S | * | * | | | trans | 65.2 | 152.8 | 151.5 | -55.3 | -16.3 | 0 | 0 | 0 | 119 | | |
| 166 | N | 43.9 | Very low | 40.8 | Very low | 140 Ų | 140 | 137.1 Ų | 137.1 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | | | cis | -165.6 | 118.9 | -11.1 | -109 | -10.8 | 0 | 0 | 0 | 109.5 | | |
| 167 | V | 46.9 | Very low | 40.8 | Very low | 153 Ų | 153 | 136.3 Ų | 136.3 | 93% | 0.927 | 75% | 0.75 | S | S | * | * | | | trans | -153.4 | 128.3 | 146.3 | -174.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 168 | K | 42.8 | Very low | 41 | Very low | 194 Ų | 194 | 137.8 Ų | 137.8 | 84% | 0.843 | 75% | 0.753 | S | S | * | * | | | trans | -145 | 159.6 | 177.3 | -166.8 | 175.1 | -177.4 | -179.6 | 0 | 109.5 | | |
| 169 | S | 41.6 | Very low | 41.4 | Very low | 99 Ų | 99 | 138.3 Ų | 138.3 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | | | trans | 87.6 | 135 | 170 | -56.7 | 0 | 0 | 0 | 0 | 116 | | |
| 170 | T | 43.4 | Very low | 41.3 | Very low | 108 Ų | 108 | 141.8 Ų | 141.8 | 66% | 0.663 | 76% | 0.757 | S | S | * | * | | | cis | -164.4 | 149.2 | -2.7 | 11.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 171 | N | 40.3 | Very low | 41.5 | Very low | 126 Ų | 126 | 144.6 Ų | 144.6 | 67% | 0.674 | 76% | 0.756 | S | S | * | * | | | trans | 63.7 | 115.9 | 140.6 | -60.1 | -11.2 | 0 | 0 | 0 | 119.4 | | |
| 172 | N | 41.9 | Very low | 41.6 | Very low | 152 Ų | 152 | 144.6 Ų | 144.6 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | | | | 71.6 | 135.2 | 83.5 | -66.5 | -11.3 | 0 | 0 | 0 | 112.3 | | |
| 173 | S | 39.9 | Very low | 41.4 | Very low | 91 Ų | 91 | 144.3 Ų | 144.3 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | | | cis | -167.6 | 162.9 | 21.7 | 63.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 174 | I | 43.9 | Very low | 41.3 | Very low | 155 Ų | 155 | 146.9 Ų | 146.9 | 80% | 0.795 | 77% | 0.77 | S | S | * | * | | | trans | 67.2 | 146.1 | 142.5 | -70.2 | 160.7 | 0 | 0 | 0 | 118.4 | | |
| 175 | N | 40.3 | Very low | 41.7 | Very low | 115 Ų | 115 | 145.8 Ų | 145.8 | 62% | 0.615 | 78% | 0.776 | S | S | * | * | | | cis | -170.1 | 157.6 | -36.7 | -132.5 | -15.8 | 0 | 0 | 0 | 109.5 | | |
| 176 | Y | 34.8 | Very low | 41.8 | Very low | 209 Ų | 209 | 145.2 Ų | 145.2 | 82% | 0.82 | 78% | 0.778 | S | S | * | * | | | trans | 46 | 110.9 | 160 | -62.2 | -65.3 | 0 | 0 | 0 | 123.3 | | |
| 177 | G | 35.3 | Very low | 41.6 | Very low | 76 Ų | 76 | 146.2 Ų | 146.2 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | | | | 94.3 | 110.3 | 107.8 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 178 | N | 41.8 | Very low | 41.1 | Very low | 155 Ų | 155 | 147.6 Ų | 147.6 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | | | | -179 | 134.5 | 110.5 | -125.8 | -34.4 | 0 | 0 | 0 | 112.1 | | |
| 179 | P | 42.9 | Very low | 41 | Very low | 115 Ų | 115 | 146.9 Ų | 146.9 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | | | trans | -108.7 | 102.4 | 170.5 | 34.8 | -24 | 0 | 0 | 0 | 111.9 | | |
| 180 | K | 39.9 | Very low | 40.8 | Very low | 194 Ų | 194 | 151.5 Ų | 151.5 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | | | trans | -178 | 107.5 | 164.7 | -104.4 | 153.6 | -175.1 | -177.6 | 0 | 111.7 | | |
| 181 | Q | 45.5 | Very low | 40.5 | Very low | 183 Ų | 183 | 152.2 Ų | 152.2 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | | | trans | 165.2 | 137 | 158.1 | -98.4 | 167.1 | 14.4 | 0 | 0 | 107.2 | | |
| 182 | D | 41.2 | Very low | 40.3 | Very low | 151 Ų | 151 | 151.5 Ų | 151.5 | 81% | 0.807 | 81% | 0.805 | S | S | * | * | | | cis | -153.6 | 147 | -27 | -120 | -28.4 | 0 | 0 | 0 | 108.3 | K184 | D182-K184 PolarHBondContact O-N 3.03Š|
| 183 | L | 39.8 | Very low | 40.3 | Very low | 169 Ų | 169 | 151.4 Ų | 151.4 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | | | trans | -82.2 | 110.6 | 174.4 | -82.2 | 100.2 | 0 | 0 | 0 | 110.6 | | |
| 184 | K | 38.7 | Very low | 40.5 | Very low | 190 Ų | 190 | 156.3 Ų | 156.3 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | | | trans | 178 | 119 | 146.7 | -102.7 | 157.3 | -178.3 | -178 | 0 | 111.9 | D182 | D182-K184 PolarHBondContact O-N 3.03Š|
| 185 | I | 47.5 | Very low | 40.1 | Very low | 160 Ų | 160 | 154.3 Ų | 154.3 | 82% | 0.821 | 81% | 0.814 | S | S | * | * | | | trans | -174.4 | 80.2 | 146.2 | -86.7 | 139.4 | 0 | 0 | 0 | 103.2 | | |
| 186 | T | 44.9 | Very low | 40.4 | Very low | 115 Ų | 115 | 156 Ų | 156 | 71% | 0.706 | 82% | 0.821 | S | S | * | * | | | | 65.5 | 118.5 | 95.6 | 57.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 187 | N | 39.7 | Very low | 40.9 | Very low | 161 Ų | 161 | 155.7 Ų | 155.7 | 86% | 0.861 | 82% | 0.824 | S | S | * | * | | | trans | -50.8 | 135.4 | 167.5 | -40.9 | -64.8 | 0 | 0 | 0 | 109.8 | | |
| 188 | E | 37.8 | Very low | 41.4 | Very low | 182 Ų | 182 | 157.9 Ų | 157.9 | 85% | 0.85 | 82% | 0.823 | S | S | * | * | | | trans | 173.8 | 64.8 | 158.7 | -91.2 | -93.9 | 148.2 | 0 | 0 | 109.9 | | |
| 189 | L | 41 | Very low | 41.6 | Very low | 178 Ų | 178 | 159.4 Ų | 159.4 | 93% | 0.932 | 82% | 0.822 | S | S | * | * | | | trans | -147.5 | 64.2 | 161.7 | -80.3 | -171.3 | 0 | 0 | 0 | 110.8 | | |
| 190 | K | 37 | Very low | 41.6 | Very low | 196 Ų | 196 | 161 Ų | 161 | 85% | 0.852 | 82% | 0.819 | S | S | * | * | | | trans | -83.4 | 154.5 | 154.7 | -74.9 | 179.7 | 178.4 | 174.2 | 0 | 108.4 | | |
| 191 | S | 36.5 | Very low | 41.6 | Very low | 123 Ų | 123 | 156.9 Ų | 156.9 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | | | trans | 69.2 | 101.6 | -178.9 | 77.5 | 0 | 0 | 0 | 0 | 115.8 | | |
| 192 | S | 36.8 | Very low | 41.6 | Very low | 111 Ų | 111 | 155.3 Ų | 155.3 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | | | | -170 | 172.2 | 115.6 | -156.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 193 | L | 40.6 | Very low | 41.6 | Very low | 151 Ų | 151 | 157 Ų | 157 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | | | trans | 64.3 | 68.3 | 170.1 | -90.4 | 62.2 | 0 | 0 | 0 | 118.5 | | |
| 194 | K | 45.8 | Very low | 41.9 | Very low | 193 Ų | 193 | 153.6 Ų | 153.6 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | | | | 29.6 | 112.1 | 115.5 | -64.3 | -180 | 178.5 | 177.8 | 0 | 117.8 | | |
| 195 | S | 35.3 | Very low | 42.2 | Very low | 114 Ų | 114 | 154 Ų | 154 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | | | trans | -17.7 | 123.5 | 156.9 | 57 | 0 | 0 | 0 | 0 | 118.4 | | |
| 196 | I | 46.8 | Very low | 42.1 | Very low | 149 Ų | 149 | 155.7 Ų | 155.7 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | | | trans | -112.3 | 106 | 151.8 | -62 | 177.4 | 0 | 0 | 0 | 107.7 | T198 | I196-T198 HydrophobicContact CG2-CG2 4.3Å; I196-T198 PolarHBondContact O-N 3.17Å |
| 197 | K | 43.7 | Very low | 42.4 | Very low | 203 Ų | 203 | 159.9 Ų | 159.9 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | | | trans | -78.4 | 89.5 | 168.4 | -91.4 | -179.9 | 174 | 171.6 | 0 | 108.7 | K199 | K197-K199 PolarHBondContact O-N 3.48Š|
| 198 | T | 46 | Very low | 42.8 | Very low | 122 Ų | 122 | 158.3 Ų | 158.3 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | | | trans | -66 | 112.1 | 166.6 | 26.3 | 0 | 0 | 0 | 0 | 109.6 | I196 E200 | I196-T198 HydrophobicContact CG2-CG2 4.3Å; I196-T198 PolarHBondContact O-N 3.17Å; T198-E200 VanDerWaalsContact C-N 3.28Å; T198-E200 PolarHBondContact O-N 3.28Å |
| 199 | K | 46.3 | Very low | 43.6 | Very low | 188 Ų | 188 | 155.4 Ų | 155.4 | 82% | 0.817 | 80% | 0.795 | S | S | * | * | | | trans | -81.4 | 75.8 | 178.5 | -169.4 | -177.2 | -178.4 | -174.5 | 0 | 109.1 | K197 T201 | K197-K199 PolarHBondContact O-N 3.48Å; K199-T201 PolarHBondContact O-N 2.87Å; K199-T201 PolarHBondContact O-OG1 2.94Å |
| 200 | E | 43.6 | Very low | 43.8 | Very low | 148 Ų | 148 | 154.2 Ų | 154.2 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | | | trans | -65 | 99.9 | -172.1 | -153.6 | 169.8 | -151 | 0 | 0 | 111.2 | T198 F202 | T198-E200 VanDerWaalsContact C-N 3.28Å; T198-E200 PolarHBondContact O-N 3.28Å; E200-F202 HydrophobicContact CB-CE2 4.4Å; E200-F202 HydrophobicContact CG-CD2 3.91Å; E200-F202 HydrophobicContact CG-CE1 4.43Å; E200-F202 HydrophobicContact CG-CE2 3.47Å; E200-F202 VanDerWaalsContact CG-CE2 3.47Å; E200-F202 HydrophobicContact CG-CZ 3.76Å; E200-F202 PolarHBondContact O-N 2.85Å; E200-F202 WeakPolarHBondContact OE1-CZ 3.32Å; E200-F202 VanDerWaalsContact OE2-CE2 3.26Å; E200-F202 WeakPolarHBondContact OE2-CE2 3.27Å |
| 201 | T | 39 | Very low | 44.3 | Very low | 108 Ų | 108 | 154.1 Ų | 154.1 | 66% | 0.663 | 79% | 0.788 | S | S | * | * | | | trans | -93.5 | 77.2 | -174.6 | -56.9 | 0 | 0 | 0 | 0 | 108.6 | K199 Q203 | K199-T201 PolarHBondContact O-N 2.87Å; K199-T201 PolarHBondContact O-OG1 2.94Å; T201-Q203 VanDerWaalsContact C-N 3.32Å; T201-Q203 PolarHBondContact O-N 3.19Å |
| 202 | F | 45.9 | Very low | 44.7 | Very low | 150 Ų | 150 | 159.6 Ų | 159.6 | 66% | 0.658 | 79% | 0.79 | S | S | * | * | | | trans | -71.1 | 87.1 | 174.8 | -76.9 | -60.8 | 0 | 0 | 0 | 111.6 | E200 S204 | E200-F202 HydrophobicContact CB-CE2 4.4Å; E200-F202 HydrophobicContact CG-CD2 3.91Å; E200-F202 HydrophobicContact CG-CE1 4.43Å; E200-F202 HydrophobicContact CG-CE2 3.47Å; E200-F202 VanDerWaalsContact CG-CE2 3.47Å; E200-F202 HydrophobicContact CG-CZ 3.76Å; E200-F202 PolarHBondContact O-N 2.85Å; E200-F202 WeakPolarHBondContact OE1-CZ 3.32Å; E200-F202 VanDerWaalsContact OE2-CE2 3.26Å; E200-F202 WeakPolarHBondContact OE2-CE2 3.27Å; F202-S204 PolarHBondContact O-N 3.22Å |
| 203 | Q | 40.9 | Very low | 45.1 | Very low | 186 Ų | 186 | 159.3 Ų | 159.3 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | | | trans | -74.2 | 73.8 | 153.9 | -69.1 | -151 | 65 | 0 | 0 | 109.7 | T201 | T201-Q203 VanDerWaalsContact C-N 3.32Å; T201-Q203 PolarHBondContact O-N 3.19Å |
| 204 | S | 46.5 | Very low | 45.6 | Very low | 98 Ų | 98 | 159.3 Ų | 159.3 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | | | trans | -99.3 | 128.3 | 168.5 | 59.4 | 0 | 0 | 0 | 0 | 110.2 | F202 K206 | F202-S204 PolarHBondContact O-N 3.22Å; S204-K206 PolarHBondContact O-N 3.04Å |
| 205 | K | 45 | Very low | 45.5 | Very low | 197 Ų | 197 | 155.2 Ų | 155.2 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | | | trans | -67.7 | 128.1 | -165.2 | -61.6 | 176.2 | 179.7 | 178.8 | 0 | 110.8 | K207 | K205-K207 PolarHBondContact O-N 2.93Š|
| 206 | K | 45.3 | Very low | 46.2 | Very low | 197 Ų | 197 | 156.4 Ų | 156.4 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | | | trans | -56.4 | 97.8 | 161.3 | -93.7 | -175.5 | 171.8 | -178.6 | 0 | 108.7 | S204 N208 | S204-K206 PolarHBondContact O-N 3.04Å; K206-N208 PolarHBondContact O-N 2.96Å |
| 207 | K | 50.3 | Low | 46.2 | Very low | 202 Ų | 202 | 155.3 Ų | 155.3 | 88% | 0.878 | 77% | 0.771 | S | S | * | * | | | trans | -71.9 | 107 | 159.2 | -78.3 | -174 | 174.9 | -178.5 | 0 | 106.7 | K205 | K205-K207 PolarHBondContact O-N 2.93Š|
| 208 | N | 48.8 | Very low | 46.3 | Very low | 129 Ų | 129 | 152.7 Ų | 152.7 | 69% | 0.69 | 77% | 0.767 | S | S | * | * | | | trans | -57.6 | 139.7 | 164.3 | -69.7 | -35 | 0 | 0 | 0 | 108.4 | K206 L210 | K206-N208 PolarHBondContact O-N 2.96Å; N208-L210 PolarHBondContact O-N 3.23Å |
| 209 | P | 55.3 | Low | 46.2 | Very low | 120 Ų | 120 | 153.9 Ų | 153.9 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | | | trans | -65 | 94.7 | 157.6 | 28.8 | -30.5 | 0 | 0 | 0 | 106.4 | F211 | P209-F211 PolarHBondContact O-N 3.3Š|
| 210 | L | 43.7 | Very low | 46.1 | Very low | 153 Ų | 153 | 152.3 Ų | 152.3 | 80% | 0.801 | 77% | 0.769 | S | S | * | * | | | trans | -65.4 | 121.8 | 178.7 | -159.2 | 138.6 | 0 | 0 | 0 | 106.8 | N208 R212 | N208-L210 PolarHBondContact O-N 3.23Å; L210-R212 PolarHBondContact O-N 3.47Å |
| 211 | F | 48 | Very low | 46.2 | Very low | 194 Ų | 194 | 152.9 Ų | 152.9 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | | | trans | -54.9 | 103.4 | 179.5 | -71.4 | -95 | 0 | 0 | 0 | 109.2 | P209 S213 | P209-F211 PolarHBondContact O-N 3.3Å; F211-S213 PolarHBondContact O-N 3.39Å |
| 212 | R | 45 | Very low | 46.5 | Very low | 239 Ų | 239 | 153.5 Ų | 153.5 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | | | trans | -73.6 | 88.9 | 162 | -91 | -171.1 | 171.1 | -169.4 | -3.2 | 107 | L210 I214 | L210-R212 PolarHBondContact O-N 3.47Å; R212-I214 PolarHBondContact O-N 2.95Å |
| 213 | S | 45.7 | Very low | 46.6 | Very low | 104 Ų | 104 | 153.1 Ų | 153.1 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | trans | -56.5 | 115.2 | 155.1 | 45 | 0 | 0 | 0 | 0 | 107.8 | F211 T215 | F211-S213 PolarHBondContact O-N 3.39Å; S213-T215 PolarHBondContact O-N 2.93Å |
| 214 | I | 50 | Low | 46.8 | Very low | 152 Ų | 152 | 150.3 Ų | 150.3 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | | | trans | -64.1 | 108.2 | 169.6 | 26.9 | 172.7 | 0 | 0 | 0 | 108.6 | R212 | R212-I214 PolarHBondContact O-N 2.95Š|
| 215 | T | 44.3 | Very low | 46.7 | Very low | 106 Ų | 106 | 151.7 Ų | 151.7 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | | | trans | -77.6 | 118.9 | 158.3 | 44.7 | 0 | 0 | 0 | 0 | 107.5 | S213 | S213-T215 PolarHBondContact O-N 2.93Š|
| 216 | L | 50.6 | Low | 46.9 | Very low | 140 Ų | 140 | 150.7 Ų | 150.7 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | | | trans | -97.6 | 87.4 | 166.8 | -72.5 | 173.4 | 0 | 0 | 0 | 106.9 | N218 | L216-N218 VanDerWaalsContact C-N 3.32Å; L216-N218 PolarHBondContact O-N 3.42Å |
| 217 | D | 45.9 | Very low | 46.7 | Very low | 125 Ų | 125 | 147.3 Ų | 147.3 | 67% | 0.668 | 76% | 0.763 | S | S | * | * | | | trans | -76.2 | 88.2 | 172.5 | -59.1 | -37.6 | 0 | 0 | 0 | 107.9 | D219 | D217-D219 VanDerWaalsContact C-N 3.25Å; D217-D219 PolarHBondContact O-N 2.96Å |
| 218 | N | 46.4 | Very low | 46.3 | Very low | 148 Ų | 148 | 143 Ų | 143 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | | | trans | -87.2 | 63 | 173.6 | -90 | -6.7 | 0 | 0 | 0 | 110.3 | L216 N220 | L216-N218 VanDerWaalsContact C-N 3.32Å; L216-N218 PolarHBondContact O-N 3.42Å; N218-N220 PolarHBondContact O-N 2.9Å |
| 219 | D | 43.4 | Very low | 46.1 | Very low | 147 Ų | 147 | 143.5 Ų | 143.5 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | | | trans | -82.9 | 86.5 | 168.6 | -76 | -31.8 | 0 | 0 | 0 | 109.9 | D217 | D217-D219 VanDerWaalsContact C-N 3.25Å; D217-D219 PolarHBondContact O-N 2.96Å |
| 220 | N | 45.2 | Very low | 45.2 | Very low | 155 Ų | 155 | 145.2 Ų | 145.2 | 83% | 0.829 | 76% | 0.755 | S | S | * | * | | | trans | -149.1 | 105.2 | 154.5 | -121 | -11.7 | 0 | 0 | 0 | 110.1 | N218 | N218-N220 PolarHBondContact O-N 2.9Š|
| 221 | M | 44.3 | Very low | 45 | Very low | 161 Ų | 161 | 143 Ų | 143 | 79% | 0.793 | 75% | 0.75 | S | S | * | * | | | trans | -63.8 | 132.4 | 177.9 | -68.6 | -85.2 | 94.1 | 0 | 0 | 110.9 | N223 | M221-N223 PolarHBondContact O-N 2.86Š|
| 222 | P | 46 | Very low | 44.8 | Very low | 121 Ų | 121 | 141.7 Ų | 141.7 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | | | trans | -81.2 | 108.6 | 160.6 | 31.4 | -27.7 | 0 | 0 | 0 | 108.8 | D224 | P222-D224 PolarHBondContact O-N 2.98Å; P222-D224 VanDerWaalsContact O-N 3.16Å |
| 223 | N | 48.4 | Very low | 44.2 | Very low | 142 Ų | 142 | 135.6 Ų | 135.6 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | | | trans | -67.5 | 112.5 | 167.1 | -89.6 | 7.8 | 0 | 0 | 0 | 109.8 | M221 | M221-N223 PolarHBondContact O-N 2.86Š|
| 224 | D | 44.8 | Very low | 43.8 | Very low | 127 Ų | 127 | 136.2 Ų | 136.2 | 68% | 0.679 | 75% | 0.749 | S | S | * | * | | | | 68.1 | 128.1 | 125.5 | -85.2 | -28.7 | 0 | 0 | 0 | 122.2 | P222 | P222-D224 PolarHBondContact O-N 2.98Å; P222-D224 VanDerWaalsContact O-N 3.16Å |
| 225 | I | 44.2 | Very low | 43.1 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 65% | 0.651 | 75% | 0.749 | S | S | * | * | | | trans | 92 | 122.5 | 135.3 | -68 | 165 | 0 | 0 | 0 | 119.3 | | |
| 226 | H | 48.8 | Very low | 42.8 | Very low | 176 Ų | 176 | 134.2 Ų | 134.2 | 82% | 0.815 | 75% | 0.753 | S | S | * | * | | | trans | 65.3 | 141.1 | 170.6 | -61.7 | -48.7 | 0 | 0 | 0 | 116.4 | | |
| 227 | N | 42.2 | Very low | 42.2 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 67% | 0.674 | 75% | 0.754 | S | S | * | * | | | cis | -155.7 | 161.5 | 11.8 | -151 | -1.7 | 0 | 0 | 0 | 112.9 | | |
| 228 | N | 42 | Very low | 42 | Very low | 111 Ų | 111 | 133 Ų | 133 | 59% | 0.594 | 76% | 0.761 | S | S | * | * | | | trans | 63.9 | 111.1 | 157.7 | -66.7 | -31.7 | 0 | 0 | 0 | 121.9 | | |
| 229 | N | 44.6 | Very low | 42.1 | Very low | 140 Ų | 140 | 130.9 Ų | 130.9 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | | | | 45.2 | 114.5 | 121.7 | -40.8 | -28 | 0 | 0 | 0 | 117.2 | | |
| 230 | N | 36.3 | Very low | 42 | Very low | 155 Ų | 155 | 135.4 Ų | 135.4 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | | | cis | -172.5 | 159.6 | 48 | -137.3 | 4.5 | 0 | 0 | 0 | 108.7 | | |
| 231 | P | 39.8 | Very low | 42 | Very low | 108 Ų | 108 | 136 Ų | 136 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | | | trans | -91.1 | 147.3 | -169.3 | 35.6 | -33.5 | 0 | 0 | 0 | 113.4 | | |
| 232 | L | 43.1 | Very low | 42.3 | Very low | 165 Ų | 165 | 137.5 Ų | 137.5 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | | | trans | -165.5 | 114.8 | 152 | -104.9 | 157.8 | 0 | 0 | 0 | 111.8 | | |
| 233 | S | 33.2 | Very low | 42.5 | Very low | 111 Ų | 111 | 141.8 Ų | 141.8 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | | | trans | 50.1 | 97.8 | 144.1 | -57.9 | 0 | 0 | 0 | 0 | 121.4 | | |
| 234 | S | 36.5 | Very low | 42.2 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | | | trans | -150.5 | 86.5 | 136 | 57 | 0 | 0 | 0 | 0 | 112.5 | S236 | S234-S236 PolarHBondContact O-N 3.19Š|
| 235 | S | 35.4 | Very low | 42.2 | Very low | 111 Ų | 111 | 141 Ų | 141 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | | | trans | -73 | 109.3 | 166.3 | 160 | 0 | 0 | 0 | 0 | 109.7 | | |
| 236 | S | 37.7 | Very low | 42.4 | Very low | 104 Ų | 104 | 143.9 Ų | 143.9 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | trans | -104.8 | 80.8 | 170.5 | 52 | 0 | 0 | 0 | 0 | 110.8 | S234 T238 | S234-S236 PolarHBondContact O-N 3.19Å; S236-T238 PolarHBondContact O-N 3.19Å |
| 237 | S | 38.1 | Very low | 42.2 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | trans | -70.6 | 91.2 | 173 | -71 | 0 | 0 | 0 | 0 | 111.3 | S239 | S237-S239 PolarHBondContact O-N 3.01Å; S237-S239 VanDerWaalsContact O-N 3.16Å |
| 238 | T | 42.1 | Very low | 42.2 | Very low | 133 Ų | 133 | 140 Ų | 140 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | | | trans | -77.5 | 98.9 | 172.1 | 50.6 | 0 | 0 | 0 | 0 | 110.4 | S236 | S236-T238 PolarHBondContact O-N 3.19Š|
| 239 | S | 47.1 | Very low | 42.4 | Very low | 102 Ų | 102 | 141.4 Ų | 141.4 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | | | trans | -65.4 | 137.9 | 179.7 | 55.8 | 0 | 0 | 0 | 0 | 112.1 | S237 L241 | S237-S239 PolarHBondContact O-N 3.01Å; S237-S239 VanDerWaalsContact O-N 3.16Å; S239-L241 PolarHBondContact O-N 3.25Å |
| 240 | R | 41.4 | Very low | 42.2 | Very low | 243 Ų | 243 | 140.2 Ų | 140.2 | 92% | 0.917 | 79% | 0.794 | S | S | * | * | | | trans | -67 | 95.9 | -174.7 | -60.2 | 160.1 | 89.8 | -179.8 | 9.6 | 110.9 | K242 | R240-K242 PolarHBondContact O-N 2.86Š|
| 241 | L | 45.9 | Very low | 42.6 | Very low | 167 Ų | 167 | 139 Ų | 139 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | | | trans | -73.2 | 112.8 | 168.6 | -73.2 | 177.6 | 0 | 0 | 0 | 110.3 | S239 K243 | S239-L241 PolarHBondContact O-N 3.25Å; L241-K243 PolarHBondContact O-N 3.02Å |
| 242 | K | 50.3 | Low | 42.8 | Very low | 193 Ų | 193 | 142.7 Ų | 142.7 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | | | trans | -63.4 | 129.9 | 176.4 | -66.9 | 177.3 | 178.2 | 177 | 0 | 109.8 | R240 L244 | R240-K242 PolarHBondContact O-N 2.86Å; K242-L244 PolarHBondContact O-N 2.87Å; K242-L244 VanDerWaalsContact O-N 3.09Å |
| 243 | K | 49.8 | Very low | 43 | Very low | 210 Ų | 210 | 144.2 Ų | 144.2 | 91% | 0.913 | 79% | 0.792 | S | S | * | * | | | trans | -59.6 | 111.7 | 167.1 | -80.3 | 179.2 | 174.9 | 174.7 | 0 | 109.4 | L241 S245 | L241-K243 PolarHBondContact O-N 3.02Å; K243-S245 PolarHBondContact O-N 2.91Å |
| 244 | L | 44 | Very low | 43.3 | Very low | 141 Ų | 141 | 146.7 Ų | 146.7 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | | | trans | -78.1 | 106.2 | 163.4 | -69.6 | 172 | 0 | 0 | 0 | 108.2 | K242 F246 | K242-L244 PolarHBondContact O-N 2.87Å; K242-L244 VanDerWaalsContact O-N 3.09Å; L244-F246 HydrophobicContact CB-CE2 4.13Å; L244-F246 PolarHBondContact O-N 3.35Å |
| 245 | S | 43.9 | Very low | 43.5 | Very low | 112 Ų | 112 | 151.6 Ų | 151.6 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | | | trans | -81.4 | 110.6 | 169.7 | 56.4 | 0 | 0 | 0 | 0 | 109.7 | K243 S247 | K243-S245 PolarHBondContact O-N 2.91Å; S245-S247 PolarHBondContact O-N 3.37Å |
| 246 | F | 49.4 | Very low | 43.8 | Very low | 187 Ų | 187 | 157.7 Ų | 157.7 | 82% | 0.82 | 80% | 0.804 | S | S | * | * | | | trans | -82.6 | 95.8 | 168.3 | -71.4 | -78.9 | 0 | 0 | 0 | 109.5 | L244 S248 | L244-F246 HydrophobicContact CB-CE2 4.13Å; L244-F246 PolarHBondContact O-N 3.35Å; F246-S248 PolarHBondContact O-N 3.44Å |
| 247 | S | 44 | Very low | 44 | Very low | 97 Ų | 97 | 157.2 Ų | 157.2 | 68% | 0.678 | 80% | 0.801 | S | S | * | * | | | trans | -74.9 | 113.6 | 169.6 | -174 | 0 | 0 | 0 | 0 | 109.5 | S245 Q249 | S245-S247 PolarHBondContact O-N 3.37Å; S247-Q249 PolarHBondContact O-N 3.38Å; S247-Q249 VanDerWaalsContact O-N 3.13Å |
| 248 | S | 40.9 | Very low | 44.2 | Very low | 123 Ų | 123 | 157.6 Ų | 157.6 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | -82.7 | 81.3 | 175.1 | 59.5 | 0 | 0 | 0 | 0 | 110.4 | F246 | F246-S248 PolarHBondContact O-N 3.44Š|
| 249 | Q | 46.2 | Very low | 44.4 | Very low | 141 Ų | 141 | 161.2 Ų | 161.2 | 66% | 0.659 | 79% | 0.793 | S | S | * | * | | | trans | -109.1 | 96.7 | 177.2 | -163.7 | 170.1 | -8.5 | 0 | 0 | 110.4 | S247 D251 | S247-Q249 PolarHBondContact O-N 3.38Å; S247-Q249 VanDerWaalsContact O-N 3.13Å; Q249-D251 VanDerWaalsContact C-N 3.28Å; Q249-D251 VanDerWaalsContact CG-OD2 3.28Å; Q249-D251 WeakPolarHBondContact CG-OD2 3.41Å; Q249-D251 PolarHBondContact NE2-OD2 3.24Å; Q249-D251 PolarHBondContact O-N 2.9Å; Q249-D251 VanDerWaalsContact O-N 3.09Å |
| 250 | S | 41.2 | Very low | 44.5 | Very low | 116 Ų | 116 | 163.6 Ų | 163.6 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | | | trans | -84.2 | 67.2 | 178.8 | 61.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 251 | D | 44.8 | Very low | 44.7 | Very low | 128 Ų | 128 | 162.4 Ų | 162.4 | 68% | 0.684 | 80% | 0.799 | S | S | * | * | | | trans | -91.4 | 144.5 | 176.2 | -87.5 | -48.2 | 0 | 0 | 0 | 113 | Q249 | Q249-D251 VanDerWaalsContact C-N 3.28Å; Q249-D251 VanDerWaalsContact CG-OD2 3.28Å; Q249-D251 WeakPolarHBondContact CG-OD2 3.41Å; Q249-D251 PolarHBondContact NE2-OD2 3.24Å; Q249-D251 PolarHBondContact O-N 2.9Å; Q249-D251 VanDerWaalsContact O-N 3.09Å |
| 252 | K | 44.9 | Very low | 44.5 | Very low | 186 Ų | 186 | 159 Ų | 159 | 81% | 0.809 | 79% | 0.789 | S | S | * | * | | | trans | -95 | 157.5 | -168.3 | -59.4 | 164.7 | -174 | 169.6 | 0 | 110.2 | | |
| 253 | K | 46 | Very low | 44.6 | Very low | 197 Ų | 197 | 159.1 Ų | 159.1 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | | | trans | 83.5 | 115.9 | 177.7 | -48.4 | 167.8 | -178.9 | -179.1 | 0 | 114.2 | | |
| 254 | L | 39.6 | Very low | 44.4 | Very low | 164 Ų | 164 | 155.6 Ų | 155.6 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | | | | -162.5 | 141.6 | 93.2 | -122.9 | 91.4 | 0 | 0 | 0 | 111.1 | | |
| 255 | Y | 41.1 | Very low | 44.4 | Very low | 220 Ų | 220 | 155.9 Ų | 155.9 | 86% | 0.863 | 79% | 0.786 | S | S | * | * | | | trans | -74.6 | 128.2 | 165.4 | -117 | -107.1 | 0 | 0 | 0 | 108.9 | | |
| 256 | R | 41.6 | Very low | 44.8 | Very low | 240 Ų | 240 | 155.9 Ų | 155.9 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | | | trans | -161.5 | 100.3 | 148.8 | -126 | 178.1 | -176.6 | 175.8 | 1.3 | 111.5 | | |
| 257 | S | 40.8 | Very low | 44.9 | Very low | 94 Ų | 94 | 156.4 Ų | 156.4 | 66% | 0.657 | 79% | 0.785 | S | S | * | * | | | trans | -66.1 | 133.9 | 152.1 | -50.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 258 | D | 42.8 | Very low | 45 | Very low | 115 Ų | 115 | 160.3 Ų | 160.3 | 62% | 0.615 | 79% | 0.793 | S | S | * | * | | | | 174.2 | 139.7 | 120.9 | -107.4 | 22.4 | 0 | 0 | 0 | 112.3 | | |
| 259 | R | 46.7 | Very low | 45.5 | Very low | 209 Ų | 209 | 162.2 Ų | 162.2 | 79% | 0.789 | 79% | 0.79 | S | S | * | * | | | trans | 61.3 | 113.1 | 155.5 | -55 | 156.6 | -159.6 | -135.3 | -0.8 | 116.6 | | |
| 260 | L | 48.6 | Very low | 45.7 | Very low | 152 Ų | 152 | 164 Ų | 164 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | | | | 163.1 | 104.1 | 103.6 | -84.5 | 176.5 | 0 | 0 | 0 | 108.2 | | |
| 261 | F | 45.9 | Very low | 45.9 | Very low | 219 Ų | 219 | 166.3 Ų | 166.3 | 96% | 0.961 | 80% | 0.804 | S | S | * | * | | | trans | -169.8 | 86.1 | 141.5 | -93 | -59.8 | 0 | 0 | 0 | 107.9 | | |
| 262 | S | 42.8 | Very low | 46.2 | Very low | 95 Ų | 95 | 167.1 Ų | 167.1 | 66% | 0.664 | 81% | 0.808 | S | S | * | * | | | trans | -81.4 | 163.3 | 162.5 | 58.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 263 | K | 51.3 | Low | 46.4 | Very low | 196 Ų | 196 | 166.7 Ų | 166.7 | 85% | 0.852 | 81% | 0.806 | S | S | * | * | | | trans | 76.8 | 81.4 | -177.8 | -46.6 | 171.9 | -175.7 | -179.4 | 0 | 114.4 | | |
| 264 | V | 46.8 | Very low | 46.6 | Very low | 135 Ų | 135 | 164.8 Ų | 164.8 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | | -171.4 | 122.3 | 107.9 | 159 | 0 | 0 | 0 | 0 | 106.6 | | |
| 265 | L | 43.2 | Very low | 47.3 | Very low | 147 Ų | 147 | 162.6 Ų | 162.6 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | | | trans | -96.8 | 143.9 | 165.2 | -77.9 | 163.4 | 0 | 0 | 0 | 107.9 | | |
| 266 | P | 51.4 | Low | 47.5 | Very low | 112 Ų | 112 | 159.2 Ų | 159.2 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | | -110.7 | 145.2 | 117.5 | -14.8 | 31.9 | 0 | 0 | 0 | 112.5 | E268 | P266-E268 PolarHBondContact O-N 3.47Š|
| 267 | K | 51.8 | Low | 48 | Very low | 198 Ų | 198 | 155.7 Ų | 155.7 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | | | trans | -103.2 | 52.8 | -166.6 | -166.9 | -179.5 | 176.4 | -177.2 | 0 | 111.2 | | |
| 268 | E | 47.6 | Very low | 48.2 | Very low | 179 Ų | 179 | 160.4 Ų | 160.4 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | | | trans | -140.9 | 19.9 | -165.6 | -147.1 | 176.8 | -154.3 | 0 | 0 | 115.6 | P266 | P266-E268 PolarHBondContact O-N 3.47Š|
| 269 | M | 50.1 | Low | 48.7 | Very low | 163 Ų | 163 | 163.5 Ų | 163.5 | 80% | 0.803 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -131.9 | 26 | 176.1 | -68.1 | -164.6 | 76.4 | 0 | 0 | 114.4 | | |
| 270 | M | 50.1 | Low | 48.4 | Very low | 180 Ų | 180 | 160.4 Ų | 160.4 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | | | trans | -98.3 | -4.1 | 178.5 | -71 | -175.2 | 174.7 | 0 | 0 | 114.7 | | |
| 271 | D | 46.9 | Very low | 48 | Very low | 164 Ų | 164 | 156.7 Ų | 156.7 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | | | trans | -102.3 | 43.2 | 178.7 | -71.9 | -39.2 | 0 | 0 | 0 | 113.7 | K273 | D271-K273 VanDerWaalsContact C-N 3.33Å; D271-K273 PolarHBondContact O-N 2.95Å |
| 272 | L | 50.1 | Low | 47.6 | Very low | 145 Ų | 145 | 152.8 Ų | 152.8 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | | | trans | -89.5 | 80.2 | 160.7 | -86.6 | 163.1 | 0 | 0 | 0 | 109.4 | I274 | L272-I274 PolarHBondContact O-N 3.21Š|
| 273 | K | 48.4 | Very low | 47.9 | Very low | 177 Ų | 177 | 152.8 Ų | 152.8 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | | | trans | -48.1 | 107.9 | 174.8 | -172.6 | 175.6 | -175.5 | 175.3 | 0 | 110.6 | D271 I275 | D271-K273 VanDerWaalsContact C-N 3.33Å; D271-K273 PolarHBondContact O-N 2.95Å; K273-I275 HydrophobicContact CD-CG1 4.39Å; K273-I275 HydrophobicContact CG-CG1 4.12Å; K273-I275 PolarHBondContact O-N 3.05Å |
| 274 | I | 50.8 | Low | 47.2 | Very low | 157 Ų | 157 | 150.6 Ų | 150.6 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | | | trans | -65.9 | 98.5 | 170.7 | -61.8 | 173.9 | 0 | 0 | 0 | 107 | L272 D276 | L272-I274 PolarHBondContact O-N 3.21Å; I274-D276 PolarHBondContact O-N 3.1Å |
| 275 | I | 54.1 | Low | 47.3 | Very low | 118 Ų | 118 | 151.6 Ų | 151.6 | 61% | 0.605 | 80% | 0.796 | S | S | * | * | | | trans | -81.8 | 95.6 | 174.3 | -67.2 | 176 | 0 | 0 | 0 | 107.4 | K273 M277 | K273-I275 HydrophobicContact CD-CG1 4.39Å; K273-I275 HydrophobicContact CG-CG1 4.12Å; K273-I275 PolarHBondContact O-N 3.05Å; I275-M277 HydrophobicContact CG2-CB 4.49Å; I275-M277 HydrophobicContact CG2-CG 3.75Å; I275-M277 HydrophobicContact CG2-SD 4.14Å; I275-M277 PolarHBondContact O-N 3Å; I275-M277 VanDerWaalsContact O-N 3.08Å |
| 276 | D | 45.2 | Very low | 47.3 | Very low | 148 Ų | 148 | 153.1 Ų | 153.1 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | | | trans | -63.3 | 100.4 | 163.1 | -114.8 | -22 | 0 | 0 | 0 | 108.7 | I274 | I274-D276 PolarHBondContact O-N 3.1Š|
| 277 | M | 52.7 | Low | 46.8 | Very low | 166 Ų | 166 | 152.5 Ų | 152.5 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | trans | -119.3 | 95.1 | 163.6 | -79.7 | -171.7 | 76.9 | 0 | 0 | 109.7 | I275 | I275-M277 HydrophobicContact CG2-CB 4.49Å; I275-M277 HydrophobicContact CG2-CG 3.75Å; I275-M277 HydrophobicContact CG2-SD 4.14Å; I275-M277 PolarHBondContact O-N 3Å; I275-M277 VanDerWaalsContact O-N 3.08Å |
| 278 | K | 45.8 | Very low | 46.6 | Very low | 193 Ų | 193 | 148.7 Ų | 148.7 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | | | trans | -55.3 | 152 | 160.8 | -65.2 | 174 | 178 | 174 | 0 | 109.9 | | |
| 279 | K | 51.8 | Low | 46.1 | Very low | 181 Ų | 181 | 146.1 Ų | 146.1 | 79% | 0.787 | 78% | 0.784 | S | S | * | * | | | trans | 121.4 | 109.4 | 136.8 | -158.5 | 168.8 | -175.9 | -180 | 0 | 115.8 | | |
| 280 | D | 40.2 | Very low | 46 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | | | trans | 54.8 | 109.3 | 146.2 | -47.1 | -15.4 | 0 | 0 | 0 | 119.4 | | |
| 281 | G | 40.6 | Very low | 45.5 | Very low | 75 Ų | 75 | 141.2 Ų | 141.2 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | trans | 176.9 | 71.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S283 | G281-S283 PolarHBondContact O-N 3.39Š|
| 282 | S | 38 | Very low | 45.2 | Very low | 136 Ų | 136 | 136.2 Ų | 136.2 | 95% | 0.951 | 77% | 0.766 | S | S | * | * | | | trans | -61 | 119.2 | 179.4 | -175.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 283 | S | 48.5 | Very low | 45 | Very low | 96 Ų | 96 | 135 Ų | 135 | 67% | 0.671 | 77% | 0.769 | S | S | * | * | | | trans | -155.7 | 141.5 | 155.7 | 56.3 | 0 | 0 | 0 | 0 | 111.5 | G281 L285 | G281-S283 PolarHBondContact O-N 3.39Å; S283-L285 PolarHBondContact O-N 3.31Å |
| 284 | D | 38 | Very low | 45.4 | Very low | 149 Ų | 149 | 134.6 Ų | 134.6 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | | | trans | -66.9 | 85.5 | -171.1 | -92.5 | -64.6 | 0 | 0 | 0 | 114.1 | | |
| 285 | L | 48.6 | Very low | 46.2 | Very low | 156 Ų | 156 | 132.1 Ų | 132.1 | 82% | 0.817 | 76% | 0.759 | S | S | * | * | | | trans | -101 | 91.5 | 162.5 | -69.2 | 179 | 0 | 0 | 0 | 110.2 | S283 S287 | S283-L285 PolarHBondContact O-N 3.31Å; L285-S287 VanDerWaalsContact C-N 3.34Å; L285-S287 PolarHBondContact O-N 3.04Å |
| 286 | K | 43.4 | Very low | 47.5 | Very low | 179 Ų | 179 | 131.9 Ų | 131.9 | 78% | 0.778 | 76% | 0.758 | S | S | * | * | | | trans | -63 | 91 | 171.8 | -73.6 | 176.3 | 178.8 | 168.2 | 0 | 110.7 | V288 | K286-V288 PolarHBondContact O-N 3.4Š|
| 287 | S | 39.4 | Very low | 49.1 | Very low | 99 Ų | 99 | 133 Ų | 133 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | | | trans | -64 | 91 | 167.1 | 44.1 | 0 | 0 | 0 | 0 | 110.1 | L285 T289 | L285-S287 VanDerWaalsContact C-N 3.34Å; L285-S287 PolarHBondContact O-N 3.04Å; S287-T289 PolarHBondContact O-N 2.88Å |
| 288 | V | 47.8 | Very low | 50.3 | Low | 119 Ų | 119 | 126.9 Ų | 126.9 | 72% | 0.721 | 74% | 0.736 | S | S | * | * | | | trans | -78.3 | 67.6 | 172.5 | -173.7 | 0 | 0 | 0 | 0 | 109.6 | K286 | K286-V288 PolarHBondContact O-N 3.4Š|
| 289 | T | 38.4 | Very low | 52.1 | Low | 125 Ų | 125 | 121.7 Ų | 121.7 | 77% | 0.767 | 72% | 0.717 | S | S | * | * | | | trans | -95.2 | 67.7 | 163.1 | 50.4 | 0 | 0 | 0 | 0 | 109 | S287 | S287-T289 PolarHBondContact O-N 2.88Š|
| 290 | T | 46.9 | Very low | 53.6 | Low | 113 Ų | 113 | 120.9 Ų | 120.9 | 69% | 0.693 | 71% | 0.708 | S | S | * | * | | | trans | -115.9 | 100.7 | 172.9 | 42.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 291 | S | 39.6 | Very low | 55.8 | Low | 127 Ų | 127 | 121.1 Ų | 121.1 | 89% | 0.888 | 70% | 0.703 | S | S | * | * | | | trans | -39.8 | 142.1 | 149.7 | 175.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 292 | G | 40.5 | Very low | 57.7 | Low | 58 Ų | 58 | 126.6 Ų | 126.6 | 60% | 0.598 | 70% | 0.7 | S | S | * | * | S | Bend | trans | 108.7 | 116.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 293 | S | 46 | Very low | 59.8 | Low | 119 Ų | 119 | 122.7 Ų | 122.7 | 83% | 0.832 | 68% | 0.676 | S | S | * | * | | | trans | 62 | 99.3 | 172 | 71.8 | 0 | 0 | 0 | 0 | 116.5 | N295 | S293-N295 VanDerWaalsContact C-N 3.34Å; S293-N295 PolarHBondContact O-N 3.49Å |
| 294 | Q | 58.2 | Low | 61.5 | Low | 169 Ų | 169 | 123.5 Ų | 123.5 | 79% | 0.79 | 67% | 0.668 | S | S | * | * | | | trans | -65.3 | 92 | 164.3 | -72.9 | -175.2 | -14.1 | 0 | 0 | 110 | I296 L299 | Q294-I296 PolarHBondContact O-N 3.38Å; Q294-L299 HydrophobicContact CB-CD1 4.09Å |
| 295 | N | 67.4 | Low | 63.6 | Low | 105 Ų | 105 | 121.2 Ų | 121.2 | 56% | 0.561 | 65% | 0.652 | S | S | * | * | | | trans | -65.4 | 106.2 | 171.5 | -175 | -20.1 | 0 | 0 | 0 | 108.9 | S293 K297 G298 L299 | S293-N295 VanDerWaalsContact C-N 3.34Å; S293-N295 PolarHBondContact O-N 3.49Å; N295-K297 PolarHBondContact O-N 3.23Å; N295-K297 WeakPolarHBondContact OD1-CB 3.5Å; N295-K297 PolarHBondContact OD1-N 3.45Å; N295-G298 WeakPolarHBondContact O-CA 3.34Å; N295-G298 PolarHBondContact O-N 2.97Å; N295-L299 PolarHBondContact O-N 3.4Å |
| 296 | I | 79.7 | Confident | 64.9 | Low | 114 Ų | 114 | 117.1 Ų | 117.1 | 59% | 0.585 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -50 | -34.9 | 180 | -71.6 | 167.2 | 0 | 0 | 0 | 111.7 | Q294 G298 L299 W300 | Q294-I296 PolarHBondContact O-N 3.38Å; I296-G298 VanDerWaalsContact C-N 3.33Å; I296-G298 PolarHBondContact O-N 3.4Å; I296-L299 WeakPolarHBondContact O-CB 3.31Å; I296-L299 PolarHBondContact O-N 3.02Å; I296-W300 VanDerWaalsContact CG2-CD1 3.48Å; I296-W300 PolarHBondContact O-N 3.3Å |
| 297 | K | 78.8 | Confident | 66.5 | Low | 170 Ų | 170 | 114.1 Ų | 114.1 | 74% | 0.739 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.9 | -34.3 | 176.1 | -60.9 | -176.9 | 176.4 | -178.9 | 0 | 112.9 | N295 K301 | N295-K297 PolarHBondContact O-N 3.23Å; N295-K297 WeakPolarHBondContact OD1-CB 3.5Å; N295-K297 PolarHBondContact OD1-N 3.45Å; K297-K301 WeakPolarHBondContact O-CB 3.43Å; K297-K301 PolarHBondContact O-N 3.25Å |
| 298 | G | 78.7 | Confident | 68.1 | Low | 39 Ų | 39 | 117.7 Ų | 117.7 | 40% | 0.402 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -69.5 | -40.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N295 I296 K301 R302 | N295-G298 WeakPolarHBondContact O-CA 3.34Å; N295-G298 PolarHBondContact O-N 2.97Å; I296-G298 VanDerWaalsContact C-N 3.33Å; I296-G298 PolarHBondContact O-N 3.4Å; G298-K301 PolarHBondContact O-N 3.41Å; G298-R302 WeakPolarHBondContact O-CB 3.5Å; G298-R302 PolarHBondContact O-N 3.03Å |
| 299 | L | 83.2 | Confident | 68.8 | Low | 84 Ų | 84 | 119.1 Ų | 119.1 | 44% | 0.44 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -60.3 | -50.5 | 172 | -87.7 | 156.1 | 0 | 0 | 0 | 111.6 | Q294 N295 I296 K301 R302 A303 | Q294-L299 HydrophobicContact CB-CD1 4.09Å; N295-L299 PolarHBondContact O-N 3.4Å; I296-L299 WeakPolarHBondContact O-CB 3.31Å; I296-L299 PolarHBondContact O-N 3.02Å; L299-K301 VanDerWaalsContact C-N 3.35Å; L299-K301 PolarHBondContact O-N 2.96Å; L299-R302 PolarHBondContact O-N 3.06Å; L299-A303 WeakPolarHBondContact O-CB 3.31Å; L299-A303 PolarHBondContact O-N 3.42Å |
| 300 | W | 84.4 | Confident | 69.8 | Low | 163 Ų | 163 | 118.3 Ų | 118.3 | 62% | 0.617 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -58 | -44.2 | 175.4 | -79 | 111 | 0 | 0 | 0 | 112.5 | I296 R302 A303 F304 | I296-W300 VanDerWaalsContact CG2-CD1 3.48Å; I296-W300 PolarHBondContact O-N 3.3Å; W300-R302 VanDerWaalsContact C-N 3.34Å; W300-R302 PolarHBondContact O-N 3.25Å; W300-A303 PolarHBondContact O-N 3.47Å; W300-F304 HydrophobicContact CE3-CD2 4.14Å; W300-F304 AromaticContact CE3-CE2 3.89Å; W300-F304 HydrophobicContact CE3-CE2 3.89Å; W300-F304 HydrophobicContact CZ3-CE2 4.28Å; W300-F304 WeakPolarHBondContact O-CB 3.42Å; W300-F304 WeakPolarHBondContact O-CD2 3.5Å; W300-F304 PolarHBondContact O-N 3.25Å |
| 301 | K | 85 | Confident | 70.4 | Confident | 148 Ų | 148 | 120.9 Ų | 120.9 | 64% | 0.643 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.5 | -38.6 | 179.4 | -156.7 | 176.5 | -174.5 | -175 | 0 | 111.7 | K297 G298 L299 H305 | K297-K301 WeakPolarHBondContact O-CB 3.43Å; K297-K301 PolarHBondContact O-N 3.25Å; G298-K301 PolarHBondContact O-N 3.41Å; L299-K301 VanDerWaalsContact C-N 3.35Å; L299-K301 PolarHBondContact O-N 2.96Å; K301-H305 PolarHBondContact O-CD2 2.81Å; K301-H305 PolarHBondContact O-N 2.99Å |
| 302 | R | 80.5 | Confident | 71.2 | Confident | 190 Ų | 190 | 119.8 Ų | 119.8 | 72% | 0.717 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -66 | -48.3 | 174.9 | -166.5 | 179.4 | -67.6 | 175.5 | -2.1 | 111.4 | G298 L299 W300 F304 H305 S306 | G298-R302 WeakPolarHBondContact O-CB 3.5Å; G298-R302 PolarHBondContact O-N 3.03Å; L299-R302 PolarHBondContact O-N 3.06Å; W300-R302 VanDerWaalsContact C-N 3.34Å; W300-R302 PolarHBondContact O-N 3.25Å; R302-F304 PolarHBondContact O-N 2.86Å; R302-H305 PolarHBondContact O-N 3.13Å; R302-S306 PolarHBondContact O-N 3.14Å; R302-S306 PolarHBondContact O-OG 3.05Å |
| 303 | A | 83.9 | Confident | 71.9 | Confident | 55 Ų | 55 | 122.7 Ų | 122.7 | 46% | 0.455 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -60.8 | -44.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L299 W300 H305 S306 L307 | L299-A303 WeakPolarHBondContact O-CB 3.31Å; L299-A303 PolarHBondContact O-N 3.42Å; W300-A303 PolarHBondContact O-N 3.47Å; A303-H305 VanDerWaalsContact C-N 3.31Å; A303-H305 PolarHBondContact O-N 3.38Å; A303-S306 PolarHBondContact O-N 2.97Å; A303-L307 WeakPolarHBondContact O-CB 3.45Å; A303-L307 PolarHBondContact O-N 3.45Å |
| 304 | F | 83.6 | Confident | 72.2 | Confident | 112 Ų | 112 | 124.3 Ų | 124.3 | 49% | 0.491 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.8 | -31.5 | 176.1 | -97.7 | -83.7 | 0 | 0 | 0 | 113.4 | W300 R302 R308 | W300-F304 HydrophobicContact CE3-CD2 4.14Å; W300-F304 AromaticContact CE3-CE2 3.89Å; W300-F304 HydrophobicContact CE3-CE2 3.89Å; W300-F304 HydrophobicContact CZ3-CE2 4.28Å; W300-F304 WeakPolarHBondContact O-CB 3.42Å; W300-F304 WeakPolarHBondContact O-CD2 3.5Å; W300-F304 PolarHBondContact O-N 3.25Å; R302-F304 PolarHBondContact O-N 2.86Å; F304-R308 WeakPolarHBondContact O-CG 3.43Å; F304-R308 PolarHBondContact O-N 3.27Å |
| 305 | H | 80.6 | Confident | 71.9 | Confident | 102 Ų | 102 | 122.4 Ų | 122.4 | 47% | 0.472 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -72.1 | -41.8 | 173.7 | -84.6 | -62.5 | 0 | 0 | 0 | 112.1 | K301 R302 A303 R308 K309 | K301-H305 PolarHBondContact O-CD2 2.81Å; K301-H305 PolarHBondContact O-N 2.99Å; R302-H305 PolarHBondContact O-N 3.13Å; A303-H305 VanDerWaalsContact C-N 3.31Å; A303-H305 PolarHBondContact O-N 3.38Å; H305-R308 PolarHBondContact O-N 3.16Å; H305-K309 PolarHBondContact O-N 2.97Å; H305-K309 VanDerWaalsContact O-N 3.16Å |
| 306 | S | 77.8 | Confident | 71.2 | Confident | 69 Ų | 69 | 125.1 Ų | 125.1 | 48% | 0.483 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -59.1 | -48.1 | 173.6 | -61.5 | 0 | 0 | 0 | 0 | 111.6 | R302 A303 R308 K309 D310 | R302-S306 PolarHBondContact O-N 3.14Å; R302-S306 PolarHBondContact O-OG 3.05Å; A303-S306 PolarHBondContact O-N 2.97Å; S306-R308 PolarHBondContact O-N 2.93Å; S306-R308 VanDerWaalsContact O-N 3.1Å; S306-K309 PolarHBondContact O-N 3.18Å; S306-D310 PolarHBondContact O-N 2.77Å |
| 307 | L | 76.4 | Confident | 70 | Confident | 117 Ų | 117 | 127 Ų | 127 | 61% | 0.613 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.4 | -17.7 | -178.9 | -150.6 | 80.5 | 0 | 0 | 0 | 114.2 | A303 | A303-L307 WeakPolarHBondContact O-CB 3.45Å; A303-L307 PolarHBondContact O-N 3.45Å |
| 308 | R | 71.8 | Confident | 68.6 | Low | 174 Ų | 174 | 127.5 Ų | 127.5 | 66% | 0.657 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -89.5 | -32.2 | 173.1 | -75.1 | -178.8 | -177 | 175.3 | 1.5 | 112.9 | F304 H305 S306 | F304-R308 WeakPolarHBondContact O-CG 3.43Å; F304-R308 PolarHBondContact O-N 3.27Å; H305-R308 PolarHBondContact O-N 3.16Å; S306-R308 PolarHBondContact O-N 2.93Å; S306-R308 VanDerWaalsContact O-N 3.1Å |
| 309 | K | 63.8 | Low | 67.2 | Low | 148 Ų | 148 | 136 Ų | 136 | 64% | 0.643 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -69.8 | -38.4 | 177.7 | -72.1 | -172.9 | 173.8 | -162.9 | 0 | 112.2 | H305 S306 K311 T312 | H305-K309 PolarHBondContact O-N 2.97Å; H305-K309 VanDerWaalsContact O-N 3.16Å; S306-K309 PolarHBondContact O-N 3.18Å; K309-K311 PolarHBondContact O-N 3.36Å; K309-T312 PolarHBondContact O-N 3.28Å; K309-T312 VanDerWaalsContact O-N 3.14Å; K309-T312 PolarHBondContact O-OG1 3.17Å; K309-T312 VanDerWaalsContact O-OG1 3.13Å |
| 310 | D | 58.4 | Low | 65.5 | Low | 108 Ų | 108 | 141.8 Ų | 141.8 | 58% | 0.578 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -11.8 | 177 | -83.9 | -0.8 | 0 | 0 | 0 | 115.1 | S306 | S306-D310 PolarHBondContact O-N 2.77Š|
| 311 | K | 59.3 | Low | 63.8 | Low | 167 Ų | 167 | 143.1 Ų | 143.1 | 73% | 0.726 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -6.2 | 178.9 | -68.1 | -164.4 | 175.7 | -168.2 | 0 | 114.6 | K309 | K309-K311 PolarHBondContact O-N 3.36Š|
| 312 | T | 56.8 | Low | 61.6 | Low | 105 Ų | 105 | 144.5 Ų | 144.5 | 64% | 0.644 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.7 | -21 | -177 | 19 | 0 | 0 | 0 | 0 | 114.3 | K309 | K309-T312 PolarHBondContact O-N 3.28Å; K309-T312 VanDerWaalsContact O-N 3.14Å; K309-T312 PolarHBondContact O-OG1 3.17Å; K309-T312 VanDerWaalsContact O-OG1 3.13Å |
| 313 | D | 54.8 | Low | 59.7 | Low | 118 Ų | 118 | 138.4 Ų | 138.4 | 63% | 0.631 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -91.8 | -12.8 | 177.7 | -85.2 | -41 | 0 | 0 | 0 | 114.5 | D315 | D313-D315 VanDerWaalsContact C-N 3.32Å; D313-D315 PolarHBondContact O-N 3.21Å |
| 314 | K | 53.6 | Low | 57.6 | Low | 154 Ų | 154 | 144 Ų | 144 | 67% | 0.67 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -6.7 | -177.4 | -70.6 | -149.5 | 174.7 | -166.8 | 0 | 115.7 | | |
| 315 | D | 51.3 | Low | 55.7 | Low | 129 Ų | 129 | 147.8 Ų | 147.8 | 69% | 0.69 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -5.1 | 180 | -72.9 | -22.9 | 0 | 0 | 0 | 114.3 | D313 | D313-D315 VanDerWaalsContact C-N 3.32Å; D313-D315 PolarHBondContact O-N 3.21Å |
| 316 | Q | 53.8 | Low | 54 | Low | 161 Ų | 161 | 147.5 Ų | 147.5 | 75% | 0.752 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | -14.7 | 176.2 | -62.7 | -143.5 | 73.6 | 0 | 0 | 114.7 | K318 | Q316-K318 PolarHBondContact O-N 2.9Š|
| 317 | I | 53.4 | Low | 52.2 | Low | 154 Ų | 154 | 150.2 Ų | 150.2 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -102.6 | 44.6 | -179.9 | -39 | -179.7 | 0 | 0 | 0 | 111.4 | | |
| 318 | K | 49.9 | Very low | 50.5 | Low | 180 Ų | 180 | 151.4 Ų | 151.4 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | | | trans | -136.2 | 20 | 178.8 | -75.4 | -162.4 | 173.1 | -171.1 | 0 | 115.1 | Q316 | Q316-K318 PolarHBondContact O-N 2.9Š|
| 319 | R | 49.5 | Very low | 49.5 | Very low | 218 Ų | 218 | 148.6 Ų | 148.6 | 82% | 0.823 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -122.8 | 64.4 | 175 | -61 | -170.8 | -146.6 | 158.1 | 8.6 | 112.4 | | |
| 320 | K | 47.3 | Very low | 48.9 | Very low | 206 Ų | 206 | 150 Ų | 150 | 90% | 0.896 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -179.1 | 70.8 | 157.7 | -107.6 | 176.5 | -178.1 | -172.1 | 0 | 112.3 | | |
| 321 | E | 47.3 | Very low | 48.6 | Very low | 191 Ų | 191 | 149.3 Ų | 149.3 | 89% | 0.893 | 77% | 0.765 | S | S | * | * | | | trans | -160.3 | 108.2 | 145.8 | -132.6 | 171.4 | 165 | 0 | 0 | 110 | | |
| 322 | N | 39.8 | Very low | 48.5 | Very low | 176 Ų | 176 | 146.6 Ų | 146.6 | 94% | 0.941 | 76% | 0.764 | S | S | * | * | | | trans | -98.7 | 111.9 | 167.3 | -75 | -25.3 | 0 | 0 | 0 | 106.3 | | |
| 323 | G | 40.6 | Very low | 48.3 | Very low | 63 Ų | 63 | 151.6 Ų | 151.6 | 65% | 0.649 | 78% | 0.78 | S | S | * | * | | | trans | -174.7 | 87.2 | -175 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 324 | N | 40.2 | Very low | 49 | Very low | 173 Ų | 173 | 148.2 Ų | 148.2 | 93% | 0.925 | 77% | 0.774 | S | S | * | * | | | trans | 72.2 | 147.6 | 158.7 | -59.1 | -23.3 | 0 | 0 | 0 | 119.8 | | |
| 325 | Q | 43.8 | Very low | 50.1 | Low | 190 Ų | 190 | 150.3 Ų | 150.3 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | | | trans | -91.9 | 159.9 | -177.3 | -58.6 | 171 | -7.7 | 0 | 0 | 110.6 | | |
| 326 | S | 43.8 | Very low | 51.4 | Low | 97 Ų | 97 | 147.4 Ų | 147.4 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | | | | 131.1 | 116 | 128.7 | -154.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 327 | T | 40.2 | Very low | 53 | Low | 125 Ų | 125 | 143.8 Ų | 143.8 | 77% | 0.767 | 76% | 0.758 | S | S | * | * | | | trans | 54 | 133.3 | 139.4 | 54.9 | 0 | 0 | 0 | 0 | 122.1 | | |
| 328 | D | 41.4 | Very low | 54.8 | Low | 142 Ų | 142 | 141 Ų | 141 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | | | trans | 85.1 | 125.7 | 154.6 | -140.1 | 34.5 | 0 | 0 | 0 | 117 | Q330 | D328-Q330 PolarHBondContact O-N 3.14Š|
| 329 | P | 51.1 | Low | 56.9 | Low | 116 Ų | 116 | 136.5 Ų | 136.5 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | | | trans | -81.2 | 67.9 | 174.2 | 35.6 | -32.7 | 0 | 0 | 0 | 109.1 | T331 | P329-T331 PolarHBondContact O-N 3.06Š|
| 330 | Q | 50.6 | Low | 59 | Low | 176 Ų | 176 | 131.8 Ų | 131.8 | 82% | 0.822 | 72% | 0.721 | S | S | * | * | | | trans | -57.5 | 112.4 | 171.3 | -166.4 | 171.8 | 15 | 0 | 0 | 107.7 | D328 | D328-Q330 PolarHBondContact O-N 3.14Š|
| 331 | T | 52.9 | Low | 61.2 | Low | 94 Ų | 94 | 127 Ų | 127 | 58% | 0.577 | 70% | 0.702 | S | S | * | * | | | trans | -65.6 | 128.6 | -176.2 | -66.1 | 0 | 0 | 0 | 0 | 107.7 | P329 E333 | P329-T331 PolarHBondContact O-N 3.06Å; T331-E333 PolarHBondContact O-N 2.89Å |
| 332 | P | 55.5 | Low | 63.4 | Low | 110 Ų | 110 | 124 Ų | 124 | 71% | 0.714 | 69% | 0.69 | S | S | * | * | | | trans | -61.7 | 128 | 174.9 | 25.1 | -32.6 | 0 | 0 | 0 | 108.9 | G334 | P332-G334 PolarHBondContact O-N 3.48Š|
| 333 | E | 54.1 | Low | 65.9 | Low | 210 Ų | 210 | 121.1 Ų | 121.1 | 98% | 0.981 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -66.6 | 55.3 | 173.7 | -74.8 | -91.1 | 136.7 | 0 | 0 | 111.3 | T331 | T331-E333 PolarHBondContact O-N 2.89Š|
| 334 | G | 69.5 | Low | 68.4 | Low | 48 Ų | 48 | 124.7 Ų | 124.7 | 50% | 0.495 | 67% | 0.668 | S | S | . | * | S | Bend | trans | -125.5 | 143.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | P332 V336 | P332-G334 PolarHBondContact O-N 3.48Å; G334-V336 PolarHBondContact O-N 3.17Å |
| 335 | E | 75.5 | Confident | 70.8 | Confident | 198 Ų | 198 | 118.8 Ų | 118.8 | 93% | 0.925 | 64% | 0.64 | S | S | * | * | | | trans | -47.6 | 106.9 | -179.8 | -172.6 | 177.7 | 179.1 | 0 | 0 | 111.5 | D337 | E335-D337 PolarHBondContact O-N 3.24Š|
| 336 | V | 79.6 | Confident | 72.9 | Confident | 67 Ų | 67 | 112.3 Ų | 112.3 | 41% | 0.406 | 62% | 0.619 | S | S | . | * | | | trans | -76.6 | 116.9 | -179.2 | -179.1 | 0 | 0 | 0 | 0 | 108.3 | G334 P338 Y340 H341 | G334-V336 PolarHBondContact O-N 3.17Å; V336-P338 VanDerWaalsContact O-N 3.13Å; V336-Y340 HydrophobicContact CG1-CD1 3.98Å; V336-H341 HydrophobicContact CG1-CB 4.18Å |
| 337 | D | 87.6 | Confident | 74.9 | Confident | 85 Ų | 85 | 110.4 Ų | 110.4 | 46% | 0.455 | 61% | 0.609 | S | S | . | * | | | trans | -46.8 | 119.8 | 174 | 168.4 | 13.9 | 0 | 0 | 0 | 110.4 | E335 V339 Y340 H341 | E335-D337 PolarHBondContact O-N 3.24Å; D337-V339 PolarHBondContact O-N 3.3Å; D337-V339 VanDerWaalsContact O-N 3.17Å; D337-V339 VanDerWaalsContact OD1-CB 3.32Å; D337-V339 WeakPolarHBondContact OD1-CB 3.4Å; D337-V339 PolarHBondContact OD1-N 3.08Å; D337-Y340 WeakPolarHBondContact O-CA 3.43Å; D337-Y340 WeakPolarHBondContact O-CB 3.44Å; D337-Y340 PolarHBondContact O-N 3.24Å; D337-Y340 PolarHBondContact OD2-N 3.22Å; D337-H341 PolarHBondContact O-N 3.25Å |
| 338 | P | 91.1 | Very high | 76.8 | Confident | 97 Ų | 97 | 107.9 Ų | 107.9 | 63% | 0.63 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61.1 | -26.4 | -178.2 | 24.2 | -34.2 | 0 | 0 | 0 | 112.4 | V336 L342 | V336-P338 VanDerWaalsContact O-N 3.13Å; P338-L342 VanDerWaalsContact O-CB 3.31Å; P338-L342 WeakPolarHBondContact O-CB 3.41Å; P338-L342 PolarHBondContact O-N 3.41Å |
| 339 | V | 93.5 | Very high | 78.1 | Confident | 85 Ų | 85 | 108.5 Ų | 108.5 | 52% | 0.515 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.9 | -44.6 | 174 | -175.3 | 0 | 0 | 0 | 0 | 110.5 | D337 L342 L343 | D337-V339 PolarHBondContact O-N 3.3Å; D337-V339 VanDerWaalsContact O-N 3.17Å; D337-V339 VanDerWaalsContact OD1-CB 3.32Å; D337-V339 WeakPolarHBondContact OD1-CB 3.4Å; D337-V339 PolarHBondContact OD1-N 3.08Å; V339-L342 PolarHBondContact O-N 3.43Å; V339-L343 HydrophobicContact CG1-CD1 4.11Å; V339-L343 WeakPolarHBondContact O-CB 3.35Å; V339-L343 WeakPolarHBondContact O-CG 3.4Å; V339-L343 PolarHBondContact O-N 3.25Å |
| 340 | Y | 94 | Very high | 78.5 | Confident | 119 Ų | 119 | 106.8 Ų | 106.8 | 47% | 0.467 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -60.4 | -45.3 | 173.4 | 177.1 | -99.3 | 0 | 0 | 0 | 111.6 | V336 D337 L343 R344 | V336-Y340 HydrophobicContact CG1-CD1 3.98Å; D337-Y340 WeakPolarHBondContact O-CA 3.43Å; D337-Y340 WeakPolarHBondContact O-CB 3.44Å; D337-Y340 PolarHBondContact O-N 3.24Å; D337-Y340 PolarHBondContact OD2-N 3.22Å; Y340-L343 PolarHBondContact O-N 3.03Å; Y340-R344 VanDerWaalsContact O-CB 3.31Å; Y340-R344 WeakPolarHBondContact O-CB 3.41Å; Y340-R344 PolarHBondContact O-N 2.92Å |
| 341 | H | 92.9 | Very high | 78.8 | Confident | 106 Ų | 106 | 105.8 Ų | 105.8 | 49% | 0.491 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60.9 | -46.6 | 176.8 | -169.5 | 91.7 | 0 | 0 | 0 | 111.7 | V336 D337 L343 R344 C345 | V336-H341 HydrophobicContact CG1-CB 4.18Å; D337-H341 PolarHBondContact O-N 3.25Å; H341-L343 PolarHBondContact O-N 3.02Å; H341-R344 WeakPolarHBondContact O-CB 3.49Å; H341-R344 PolarHBondContact O-N 3.4Å; H341-C345 PolarHBondContact NE2-SG 3.1Å; H341-C345 PolarHBondContact O-N 3.48Å; H341-C345 PolarHBondContact O-SG 2.98Å; H341-C345 VanDerWaalsContact O-SG 3.35Å |
| 342 | L | 93.7 | Very high | 78.9 | Confident | 126 Ų | 126 | 106.3 Ų | 106.3 | 66% | 0.66 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62 | -43.9 | 178.5 | -176.6 | 63.7 | 0 | 0 | 0 | 112.4 | P338 V339 R344 C345 A346 | P338-L342 VanDerWaalsContact O-CB 3.31Å; P338-L342 WeakPolarHBondContact O-CB 3.41Å; P338-L342 PolarHBondContact O-N 3.41Å; V339-L342 PolarHBondContact O-N 3.43Å; L342-R344 VanDerWaalsContact C-N 3.35Å; L342-C345 PolarHBondContact O-N 3.34Å; L342-A346 WeakPolarHBondContact O-CB 3.4Å; L342-A346 PolarHBondContact O-N 3.37Å |
| 343 | L | 93.1 | Very high | 78.8 | Confident | 116 Ų | 116 | 105.2 Ų | 105.2 | 61% | 0.607 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63 | -40.5 | 175.7 | -74.7 | 171.1 | 0 | 0 | 0 | 111.8 | V339 Y340 H341 A346 A347 | V339-L343 HydrophobicContact CG1-CD1 4.11Å; V339-L343 WeakPolarHBondContact O-CB 3.35Å; V339-L343 WeakPolarHBondContact O-CG 3.4Å; V339-L343 PolarHBondContact O-N 3.25Å; Y340-L343 PolarHBondContact O-N 3.03Å; H341-L343 PolarHBondContact O-N 3.02Å; L343-A346 PolarHBondContact O-N 3.38Å; L343-A347 WeakPolarHBondContact O-CB 3.48Å; L343-A347 PolarHBondContact O-N 3.44Å |
| 344 | R | 92.1 | Very high | 78.6 | Confident | 138 Ų | 138 | 97.5 Ų | 97.5 | 52% | 0.521 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 175.6 | -160.7 | 179.1 | -158.1 | 176.1 | 6.3 | 111 | Y340 H341 L342 A346 A347 S348 | Y340-R344 VanDerWaalsContact O-CB 3.31Å; Y340-R344 WeakPolarHBondContact O-CB 3.41Å; Y340-R344 PolarHBondContact O-N 2.92Å; H341-R344 WeakPolarHBondContact O-CB 3.49Å; H341-R344 PolarHBondContact O-N 3.4Å; L342-R344 VanDerWaalsContact C-N 3.35Å; R344-A346 PolarHBondContact O-N 3.18Å; R344-A347 PolarHBondContact O-N 3.17Å; R344-S348 PolarHBondContact O-N 3.04Å; R344-S348 PolarHBondContact O-OG 3.04Å |
| 345 | C | 89.9 | Confident | 77.8 | Confident | 49 Ų | 49 | 100.9 Ų | 100.9 | 33% | 0.331 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.1 | -38.6 | 175.8 | -70.5 | 0 | 0 | 0 | 0 | 113 | H341 L342 K349 | H341-C345 PolarHBondContact NE2-SG 3.1Å; H341-C345 PolarHBondContact O-N 3.48Å; H341-C345 PolarHBondContact O-SG 2.98Å; H341-C345 VanDerWaalsContact O-SG 3.35Å; L342-C345 PolarHBondContact O-N 3.34Å; C345-K349 WeakPolarHBondContact O-CB 3.26Å; C345-K349 WeakPolarHBondContact O-CG 3.21Å; C345-K349 PolarHBondContact O-N 2.78Å |
| 346 | A | 88 | Confident | 76.9 | Confident | 55 Ų | 55 | 95.6 Ų | 95.6 | 46% | 0.455 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.6 | -40.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L342 L343 R344 S350 | L342-A346 WeakPolarHBondContact O-CB 3.4Å; L342-A346 PolarHBondContact O-N 3.37Å; L343-A346 PolarHBondContact O-N 3.38Å; R344-A346 PolarHBondContact O-N 3.18Å; A346-S350 PolarHBondContact O-N 3.41Å; A346-S350 PolarHBondContact O-OG 3.17Å |
| 347 | A | 85.9 | Confident | 75.9 | Confident | 56 Ų | 56 | 97.7 Ų | 97.7 | 46% | 0.463 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.2 | -41.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L343 R344 S350 | L343-A347 WeakPolarHBondContact O-CB 3.48Å; L343-A347 PolarHBondContact O-N 3.44Å; R344-A347 PolarHBondContact O-N 3.17Å; A347-S350 WeakPolarHBondContact CA-OG 3.42Å; A347-S350 PolarHBondContact O-N 3.23Å; A347-S350 PolarHBondContact O-OG 3.04Å; A347-S350 VanDerWaalsContact O-OG 3.05Å |
| 348 | S | 80.4 | Confident | 74.3 | Confident | 72 Ų | 72 | 97 Ų | 97 | 50% | 0.503 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66 | -45.6 | 175.3 | -63.7 | 0 | 0 | 0 | 0 | 112.2 | R344 S350 Q351 T352 | R344-S348 PolarHBondContact O-N 3.04Å; R344-S348 PolarHBondContact O-OG 3.04Å; S348-S350 PolarHBondContact O-N 3.02Å; S348-Q351 PolarHBondContact O-N 2.88Å; S348-T352 PolarHBondContact O-OG1 3.41Å |
| 349 | K | 68.9 | Low | 72.1 | Confident | 156 Ų | 156 | 95.9 Ų | 95.9 | 68% | 0.678 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.6 | -26.4 | 178.1 | -78 | -176.9 | 175.7 | -177.3 | 0 | 113.7 | C345 T353 | C345-K349 WeakPolarHBondContact O-CB 3.26Å; C345-K349 WeakPolarHBondContact O-CG 3.21Å; C345-K349 PolarHBondContact O-N 2.78Å; K349-T353 PolarHBondContact O-OG1 3.47Å |
| 350 | S | 59.1 | Low | 69.9 | Low | 80 Ų | 80 | 97.8 Ų | 97.8 | 56% | 0.559 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -81.6 | -14.9 | 178.1 | 40.4 | 0 | 0 | 0 | 0 | 114.3 | A346 A347 S348 | A346-S350 PolarHBondContact O-N 3.41Å; A346-S350 PolarHBondContact O-OG 3.17Å; A347-S350 WeakPolarHBondContact CA-OG 3.42Å; A347-S350 PolarHBondContact O-N 3.23Å; A347-S350 PolarHBondContact O-OG 3.04Å; A347-S350 VanDerWaalsContact O-OG 3.05Å; S348-S350 PolarHBondContact O-N 3.02Å |
| 351 | Q | 57.3 | Low | 67.8 | Low | 155 Ų | 155 | 100.3 Ų | 100.3 | 72% | 0.724 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -81.6 | -40.5 | 168.7 | -72.7 | -168.4 | -2.6 | 0 | 0 | 112.8 | S348 | S348-Q351 PolarHBondContact O-N 2.88Å |
| 352 | T | 54.5 | Low | 65.6 | Low | 104 Ų | 104 | 102.6 Ų | 102.6 | 64% | 0.638 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.5 | -40 | -174.6 | -45.2 | 0 | 0 | 0 | 0 | 113.2 | S348 A354 V355 | S348-T352 PolarHBondContact O-OG1 3.41Å; T352-A354 PolarHBondContact O-N 2.77Å; T352-V355 PolarHBondContact O-N 3.08Å |
| 353 | T | 53.9 | Low | 63.3 | Low | 88 Ų | 88 | 101.5 Ų | 101.5 | 54% | 0.54 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -72 | -26.7 | -176.4 | -51.7 | 0 | 0 | 0 | 0 | 113.5 | K349 A356 T357 | K349-T353 PolarHBondContact O-OG1 3.47Å; T353-A356 PolarHBondContact O-N 3.38Å; T353-T357 PolarHBondContact O-N 3.22Å; T353-T357 PolarHBondContact O-OG1 3.39Å |
| 354 | A | 50 | Low | 60.8 | Low | 48 Ų | 48 | 107.2 Ų | 107.2 | 40% | 0.397 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -67.3 | -36.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T352 A356 T358 | T352-A354 PolarHBondContact O-N 2.77Å; A354-A356 VanDerWaalsContact C-N 3.33Å; A354-A356 PolarHBondContact O-N 3.44Å; A354-T358 PolarHBondContact O-N 3.25Å; A354-T358 VanDerWaalsContact O-O 3.09Å; A354-T358 PolarHBondContact O-OG1 3.42Å |
| 355 | V | 53.4 | Low | 58.9 | Low | 118 Ų | 118 | 107.2 Ų | 107.2 | 72% | 0.715 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -69.7 | -30 | 179.3 | -178.7 | 0 | 0 | 0 | 0 | 112 | T352 | T352-V355 PolarHBondContact O-N 3.08Å |
| 356 | A | 56.5 | Low | 56.5 | Low | 88 Ų | 88 | 112.4 Ų | 112.4 | 73% | 0.727 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -81.7 | -31.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | T353 A354 | T353-A356 PolarHBondContact O-N 3.38Å; A354-A356 VanDerWaalsContact C-N 3.33Å; A354-A356 PolarHBondContact O-N 3.44Å |
| 357 | T | 57.7 | Low | 54.5 | Low | 110 Ų | 110 | 114.8 Ų | 114.8 | 68% | 0.675 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -108.2 | -15 | -173.9 | 57.3 | 0 | 0 | 0 | 0 | 114.3 | T353 | T353-T357 PolarHBondContact O-N 3.22Å; T353-T357 PolarHBondContact O-OG1 3.39Å |
| 358 | T | 54.6 | Low | 52.3 | Low | 72 Ų | 72 | 122.2 Ų | 122.2 | 44% | 0.442 | 69% | 0.685 | S | S | . | * | | | trans | -130.4 | 107.9 | 170.7 | 58.4 | 0 | 0 | 0 | 0 | 109.3 | A354 I360 | A354-T358 PolarHBondContact O-N 3.25Å; A354-T358 VanDerWaalsContact O-O 3.09Å; A354-T358 PolarHBondContact O-OG1 3.42Å; T358-I360 PolarHBondContact O-N 3.46Å |
| 359 | G | 44.1 | Very low | 50.6 | Low | 72 Ų | 72 | 124.6 Ų | 124.6 | 74% | 0.742 | 70% | 0.697 | S | S | * | * | | | trans | -69.8 | 34 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | M361 | G359-M361 PolarHBondContact O-N 3.21Š|
| 360 | I | 48.8 | Very low | 49.3 | Very low | 126 Ų | 126 | 127.2 Ų | 127.2 | 65% | 0.646 | 71% | 0.708 | S | S | * | * | | | trans | -90.2 | 83.7 | -176.8 | -52.6 | 176.9 | 0 | 0 | 0 | 108.1 | T358 N362 | T358-I360 PolarHBondContact O-N 3.46Å; I360-N362 VanDerWaalsContact C-N 3.33Å; I360-N362 PolarHBondContact O-N 3.15Å |
| 361 | M | 48.3 | Very low | 48.3 | Very low | 172 Ų | 172 | 128.9 Ų | 128.9 | 85% | 0.847 | 72% | 0.72 | S | S | * | * | | | trans | -68.1 | 83.2 | 177.6 | -67.5 | 179.8 | -82.4 | 0 | 0 | 111.9 | G359 S363 | G359-M361 PolarHBondContact O-N 3.21Å; M361-S363 PolarHBondContact O-N 2.95Å |
| 362 | N | 46.8 | Very low | 47.6 | Very low | 153 Ų | 153 | 126.7 Ų | 126.7 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | | | trans | -80.2 | 52.3 | 162.7 | -83.3 | -13 | 0 | 0 | 0 | 111.1 | I360 R364 | I360-N362 VanDerWaalsContact C-N 3.33Å; I360-N362 PolarHBondContact O-N 3.15Å; N362-R364 PolarHBondContact O-N 2.86Å |
| 363 | S | 45.2 | Very low | 47 | Very low | 103 Ų | 103 | 126.1 Ų | 126.1 | 72% | 0.72 | 73% | 0.728 | S | S | * | * | | | trans | -78.1 | 89.1 | 171.5 | -166.4 | 0 | 0 | 0 | 0 | 109.6 | M361 | M361-S363 PolarHBondContact O-N 2.95Š|
| 364 | R | 42.2 | Very low | 46.7 | Very low | 236 Ų | 236 | 127.6 Ų | 127.6 | 89% | 0.891 | 74% | 0.739 | S | S | * | * | | | trans | -120.9 | 46.9 | 164 | -151.9 | -173.6 | -75.9 | -166.2 | -1.9 | 110.6 | N362 | N362-R364 PolarHBondContact O-N 2.86Š|
| 365 | I | 50.6 | Low | 46.1 | Very low | 138 Ų | 138 | 133.2 Ų | 133.2 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | | | trans | -89.9 | 101.3 | 168.7 | -53.8 | 179.5 | 0 | 0 | 0 | 107.4 | T367 | I365-T367 HydrophobicContact CG2-CG2 4.21Å; I365-T367 PolarHBondContact O-N 3.45Å |
| 366 | N | 40.5 | Very low | 45.6 | Very low | 159 Ų | 159 | 134.2 Ų | 134.2 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | | | trans | -70.3 | 95 | 172.6 | -99.4 | -20.7 | 0 | 0 | 0 | 109.8 | | |
| 367 | T | 45.9 | Very low | 44.7 | Very low | 105 Ų | 105 | 135.5 Ų | 135.5 | 64% | 0.644 | 77% | 0.772 | S | S | * | * | | | trans | -122.6 | 92.8 | 162.1 | 47.2 | 0 | 0 | 0 | 0 | 109.7 | I365 T369 | I365-T367 HydrophobicContact CG2-CG2 4.21Å; I365-T367 PolarHBondContact O-N 3.45Å; T367-T369 VanDerWaalsContact C-N 3.34Å; T367-T369 PolarHBondContact O-N 3.38Å; T367-T369 VanDerWaalsContact O-N 3.1Å |
| 368 | K | 40 | Very low | 44 | Very low | 212 Ų | 212 | 138.4 Ų | 138.4 | 92% | 0.922 | 78% | 0.782 | S | S | * | * | | | trans | -73.7 | 88.2 | 163.6 | -78.8 | -177.3 | 175.7 | 177.4 | 0 | 108.8 | | |
| 369 | T | 43.8 | Very low | 43.3 | Very low | 122 Ų | 122 | 140.7 Ų | 140.7 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | | | trans | -109.3 | 99.7 | 166.4 | 29.1 | 0 | 0 | 0 | 0 | 109.3 | T367 S371 | T367-T369 VanDerWaalsContact C-N 3.34Å; T367-T369 PolarHBondContact O-N 3.38Å; T367-T369 VanDerWaalsContact O-N 3.1Å; T369-S371 PolarHBondContact O-N 3.35Å |
| 370 | K | 41.2 | Very low | 43.1 | Very low | 210 Ų | 210 | 147 Ų | 147 | 91% | 0.913 | 80% | 0.803 | S | S | * | * | | | trans | -65.6 | 110.4 | 162.6 | -75 | 179.6 | 172.6 | -176.9 | 0 | 107.6 | | |
| 371 | S | 39.3 | Very low | 42.9 | Very low | 116 Ų | 116 | 146.5 Ų | 146.5 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | | | trans | -91.6 | 94.2 | 161.1 | 59.1 | 0 | 0 | 0 | 0 | 108.8 | T369 A373 | T369-S371 PolarHBondContact O-N 3.35Å; S371-A373 PolarHBondContact O-N 3.47Å |
| 372 | S | 42.2 | Very low | 42.7 | Very low | 109 Ų | 109 | 146.1 Ų | 146.1 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | | | trans | -70.8 | 115.4 | 162.5 | 46.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 373 | A | 42.5 | Very low | 42.5 | Very low | 92 Ų | 92 | 145.1 Ų | 145.1 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 138 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109 | S371 | S371-A373 PolarHBondContact O-N 3.47Š|
| 374 | P | 48 | Very low | 42.4 | Very low | 119 Ų | 119 | 145 Ų | 145 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 127.2 | 177.6 | 31.8 | -31.6 | 0 | 0 | 0 | 111.1 | | |
| 375 | D | 37.6 | Very low | 42.7 | Very low | 166 Ų | 166 | 142.1 Ų | 142.1 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 127.9 | 165.3 | -76.5 | -48.1 | 0 | 0 | 0 | 110.2 | | |
| 376 | T | 42.6 | Very low | 42.5 | Very low | 139 Ų | 139 | 145.2 Ų | 145.2 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | | | trans | -137.8 | 130.3 | 157.2 | 38.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 377 | S | 36.8 | Very low | 42.6 | Very low | 115 Ų | 115 | 143 Ų | 143 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | -83 | 137.5 | -166.5 | 53.4 | 0 | 0 | 0 | 0 | 114.6 | | |
| 378 | I | 42.6 | Very low | 42.7 | Very low | 171 Ų | 171 | 144.1 Ų | 144.1 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | | | trans | -131.3 | 148.9 | 157.7 | -61.1 | -175.6 | 0 | 0 | 0 | 110.2 | | |
| 379 | T | 40 | Very low | 43 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | | | trans | -85.6 | 136.3 | -155.3 | 42.6 | 0 | 0 | 0 | 0 | 117.9 | | |
| 380 | K | 41.2 | Very low | 42.9 | Very low | 204 Ų | 204 | 146.9 Ų | 146.9 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | | | trans | 19.2 | 113.1 | 137.5 | -64.3 | 178.7 | 177.5 | 177 | 0 | 120.4 | | |
| 381 | S | 43.9 | Very low | 43.3 | Very low | 115 Ų | 115 | 144.1 Ų | 144.1 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | trans | 179.8 | 152.6 | 141.5 | 43.9 | 0 | 0 | 0 | 0 | 108 | | |
| 382 | E | 42.9 | Very low | 43.4 | Very low | 164 Ų | 164 | 146.2 Ų | 146.2 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | | | cis | -163.6 | 158.1 | -17.9 | -177.5 | 166.6 | -168.9 | 0 | 0 | 109 | | |
| 383 | L | 43.2 | Very low | 43.8 | Very low | 133 Ų | 133 | 150.8 Ų | 150.8 | 70% | 0.696 | 80% | 0.802 | S | S | * | * | | | trans | 30.3 | 107.8 | 164.6 | -90.2 | 68.2 | 0 | 0 | 0 | 121.1 | | |
| 384 | T | 43 | Very low | 43.7 | Very low | 99 Ų | 99 | 152.4 Ų | 152.4 | 61% | 0.607 | 81% | 0.808 | S | S | * | * | | | | 93.4 | 122.8 | 77.6 | 55.6 | 0 | 0 | 0 | 0 | 119.2 | | |
| 385 | K | 48.7 | Very low | 44 | Very low | 177 Ų | 177 | 152.4 Ų | 152.4 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | | | trans | 75.3 | 118.7 | 131.2 | -67.7 | 168.1 | -174.3 | 169.1 | 0 | 121.8 | | |
| 386 | K | 46.5 | Very low | 44.1 | Very low | 202 Ų | 202 | 149.8 Ų | 149.8 | 88% | 0.878 | 80% | 0.8 | S | S | * | * | | | trans | 64.1 | 119.9 | 133.4 | -64.3 | -178.2 | 173.9 | -172.3 | 0 | 119.7 | | |
| 387 | S | 43.2 | Very low | 44.2 | Very low | 114 Ų | 114 | 150.3 Ų | 150.3 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | | | | -167.8 | 130.8 | 107.2 | -168.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 388 | T | 48 | Very low | 44.5 | Very low | 128 Ų | 128 | 153.3 Ų | 153.3 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | trans | -98.5 | 137.2 | 167.7 | 47.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 389 | N | 46.3 | Very low | 45.2 | Very low | 165 Ų | 165 | 152.6 Ų | 152.6 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | | | trans | -155.9 | 138.6 | 151.1 | -99.6 | -34 | 0 | 0 | 0 | 112.9 | | |
| 390 | R | 40.6 | Very low | 45.6 | Very low | 227 Ų | 227 | 153.6 Ų | 153.6 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | | | trans | -70.9 | 151.7 | 167.7 | -74.2 | 164.6 | 138 | 160.2 | -8 | 110 | | |
| 391 | L | 50.5 | Low | 46.5 | Very low | 152 Ų | 152 | 148.8 Ų | 148.8 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | | | trans | -152.6 | 103.9 | 143.1 | -149 | 81.6 | 0 | 0 | 0 | 111.4 | R393 | L391-R393 HydrophobicContact CD2-CB 4.26Š|
| 392 | D | 42 | Very low | 47.1 | Very low | 159 Ų | 159 | 150.9 Ų | 150.9 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | | | trans | -73.5 | 123.9 | 153 | -78.2 | -59.5 | 0 | 0 | 0 | 107.7 | | |
| 393 | R | 49.3 | Very low | 48.1 | Very low | 205 Ų | 205 | 147.6 Ų | 147.6 | 77% | 0.774 | 78% | 0.778 | S | S | * | * | | | trans | -155.1 | 104 | 162.4 | -149.3 | 171.4 | -171.1 | 171.4 | 2.5 | 113.1 | L391 T395 | L391-R393 HydrophobicContact CD2-CB 4.26Å; R393-T395 PolarHBondContact O-N 3.41Å |
| 394 | S | 40.7 | Very low | 48.7 | Very low | 126 Ų | 126 | 150.6 Ų | 150.6 | 88% | 0.881 | 79% | 0.785 | S | S | * | * | | | trans | -67.5 | 124 | 163.7 | -49.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 395 | T | 54.1 | Low | 49.5 | Very low | 120 Ų | 120 | 160.2 Ų | 160.2 | 74% | 0.736 | 81% | 0.813 | S | S | * | * | | | trans | -140.5 | 120.5 | 158.9 | 50.3 | 0 | 0 | 0 | 0 | 109.3 | R393 | R393-T395 PolarHBondContact O-N 3.41Š|
| 396 | S | 40.8 | Very low | 49.6 | Very low | 110 Ų | 110 | 159.4 Ų | 159.4 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | | | trans | -64 | 159.3 | 162.8 | 52.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 397 | L | 43.6 | Very low | 49.7 | Very low | 150 Ų | 150 | 157.1 Ų | 157.1 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | | | trans | -178.3 | 141.7 | 138.2 | -98.8 | 159.2 | 0 | 0 | 0 | 112.1 | | |
| 398 | K | 43.9 | Very low | 50.1 | Low | 178 Ų | 178 | 159.5 Ų | 159.5 | 77% | 0.774 | 81% | 0.812 | S | S | * | * | | | trans | 69 | 101.6 | 153.3 | -66.1 | 169.6 | 178.7 | -178.9 | 0 | 119.4 | | |
| 399 | N | 56.7 | Low | 50.2 | Low | 157 Ų | 157 | 161.4 Ų | 161.4 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | | | | -177.3 | 142.6 | 129.1 | -86.7 | -23.1 | 0 | 0 | 0 | 107.2 | | |
| 400 | N | 48.7 | Very low | 50.5 | Low | 141 Ų | 141 | 161.1 Ų | 161.1 | 75% | 0.754 | 81% | 0.809 | S | S | * | * | | | cis | -158.6 | 155.4 | -25.8 | -158.9 | 8.5 | 0 | 0 | 0 | 107.5 | | |
| 401 | T | 59.8 | Low | 51.1 | Low | 103 Ų | 103 | 156.7 Ų | 156.7 | 63% | 0.632 | 81% | 0.806 | S | S | * | * | | | trans | 47 | 107.8 | 158.4 | -41.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 402 | N | 56.8 | Low | 51.2 | Low | 159 Ų | 159 | 157.1 Ų | 157.1 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | | | | -162.1 | 138.2 | 115.1 | -114.7 | -3.3 | 0 | 0 | 0 | 112.3 | | |
| 403 | P | 64.6 | Low | 51.9 | Low | 95 Ų | 95 | 156.9 Ų | 156.9 | 62% | 0.617 | 80% | 0.804 | S | S | * | * | | | trans | -104.3 | 154 | -179.8 | 8.5 | 14.3 | 0 | 0 | 0 | 114.1 | | |
| 404 | F | 55.6 | Low | 52.1 | Low | 196 Ų | 196 | 152.9 Ų | 152.9 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | | | trans | 35.3 | 99.8 | 148.3 | -65.7 | -84 | 0 | 0 | 0 | 119.4 | | |
| 405 | Y | 59.9 | Low | 53.1 | Low | 300 Ų | 300 | 155.4 Ų | 155.4 | 100% | 1.176 | 80% | 0.799 | S | S | * | * | | | | -160.9 | 0 | 92.4 | -126 | -86.6 | 0 | 0 | 0 | 111.5 | | |