| 1 | K | 51.5 | Low | 57.5 | Low | 247 Ų | 247 | 167 Ų | 167 | 100% | 1.074 | 82% | 0.822 | S | S | * | * | | | | 0 | 95.5 | 0 | -93.2 | -165.9 | 172.4 | -168.6 | 0 | 108 | | |
| 2 | E | 58.5 | Low | 57 | Low | 182 Ų | 182 | 163.9 Ų | 163.9 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | | | cis | -67.6 | -177.8 | -14.2 | -90.4 | 79.1 | 169.2 | 0 | 0 | 111.7 | | |
| 3 | E | 51.3 | Low | 56.3 | Low | 191 Ų | 191 | 163.6 Ų | 163.6 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | | | trans | -120.5 | 123.8 | 160 | -75.2 | 173.4 | 99.2 | 0 | 0 | 106.3 | | |
| 4 | E | 63.9 | Low | 55.9 | Low | 183 Ų | 183 | 164.4 Ų | 164.4 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | | | trans | -108.9 | 114.1 | 165 | -166.8 | 173.7 | 152.2 | 0 | 0 | 108 | | |
| 5 | K | 56.3 | Low | 55.5 | Low | 147 Ų | 147 | 166.1 Ų | 166.1 | 64% | 0.639 | 81% | 0.809 | S | S | * | * | | | trans | -106.4 | 83.5 | -173 | -179.5 | -179.7 | 166.5 | -75.3 | 0 | 109.2 | E7 | K5-E7 IonicContact NZ-OE1 3.26Å; K5-E7 PolarHBondContact NZ-OE1 2.64Å; K5-E7 IonicContact NZ-OE2 2.81Å; K5-E7 PolarHBondContact NZ-OE2 2.9Å |
| 6 | V | 61.1 | Low | 55.1 | Low | 125 Ų | 125 | 168.2 Ų | 168.2 | 76% | 0.758 | 82% | 0.817 | S | S | * | * | | | trans | -71.3 | 129.3 | 167.1 | -177.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 7 | E | 59 | Low | 54.8 | Low | 145 Ų | 145 | 162.8 Ų | 162.8 | 68% | 0.678 | 82% | 0.815 | S | S | * | * | | | trans | -116.7 | 114.1 | -170 | -174.5 | 150.3 | -125.2 | 0 | 0 | 109.5 | K5 | K5-E7 IonicContact NZ-OE1 3.26Å; K5-E7 PolarHBondContact NZ-OE1 2.64Å; K5-E7 IonicContact NZ-OE2 2.81Å; K5-E7 PolarHBondContact NZ-OE2 2.9Å |
| 8 | E | 61.5 | Low | 54 | Low | 182 Ų | 182 | 164.5 Ų | 164.5 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | | | trans | -70 | 129.3 | -177.8 | -68 | -175.4 | 128.1 | 0 | 0 | 111.6 | N10 | E8-N10 PolarHBondContact O-N 3.24Å; E8-N10 VanDerWaalsContact O-N 3.16Å |
| 9 | P | 67.4 | Low | 53.8 | Low | 118 Ų | 118 | 163.8 Ų | 163.8 | 77% | 0.766 | 83% | 0.826 | S | S | * | * | | | trans | -75.4 | 104 | 171.9 | 30.1 | -32.5 | 0 | 0 | 0 | 110.3 | L11 | P9-L11 PolarHBondContact O-N 3.16Š|
| 10 | N | 48.2 | Very low | 53.6 | Low | 146 Ų | 146 | 165.2 Ų | 165.2 | 78% | 0.781 | 83% | 0.826 | S | S | * | * | | | trans | -64.3 | 114.6 | 176.1 | -175.7 | 0.1 | 0 | 0 | 0 | 111.4 | E8 | E8-N10 PolarHBondContact O-N 3.24Å; E8-N10 VanDerWaalsContact O-N 3.16Å |
| 11 | L | 53.5 | Low | 53.9 | Low | 171 Ų | 171 | 162.9 Ų | 162.9 | 90% | 0.895 | 82% | 0.823 | S | S | * | * | | | trans | -111.7 | 97.7 | 175.4 | -85.4 | 169.7 | 0 | 0 | 0 | 110.5 | P9 | P9-L11 PolarHBondContact O-N 3.16Š|
| 12 | E | 52.1 | Low | 54.2 | Low | 130 Ų | 130 | 160.3 Ų | 160.3 | 61% | 0.607 | 82% | 0.815 | S | S | * | * | | | trans | -132.9 | 137.1 | 172.3 | -149.9 | -159 | 176.2 | 0 | 0 | 110.6 | | |
| 13 | K | 47.5 | Very low | 53.6 | Low | 160 Ų | 160 | 160.6 Ų | 160.6 | 70% | 0.696 | 82% | 0.816 | S | S | * | * | | | trans | 66.5 | 105.7 | 170.2 | -66.2 | 141.7 | -175.6 | 153.8 | 0 | 118.2 | | |
| 14 | L | 50.7 | Low | 54.3 | Low | 175 Ų | 175 | 157.6 Ų | 157.6 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | | | trans | -156.3 | 82.2 | 133.5 | -116.1 | 167.6 | 0 | 0 | 0 | 110.8 | | |
| 15 | E | 50 | Low | 53.9 | Low | 189 Ų | 189 | 155.8 Ų | 155.8 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | | | trans | -86.6 | 125.9 | 158.1 | -75 | -176.4 | 97.2 | 0 | 0 | 109 | | |
| 16 | E | 49.7 | Very low | 53.4 | Low | 200 Ų | 200 | 157.5 Ų | 157.5 | 94% | 0.935 | 83% | 0.825 | S | S | * | * | | | trans | -178.7 | 152.5 | 140.6 | -108.3 | -179.1 | 180 | 0 | 0 | 110.9 | | |
| 17 | G | 48.9 | Very low | 52.9 | Low | 76 Ų | 76 | 161 Ų | 161 | 78% | 0.784 | 83% | 0.833 | S | S | * | * | | | trans | 100.6 | 75.5 | 159 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 18 | Q | 41.7 | Very low | 52.2 | Low | 194 Ų | 194 | 159.6 Ų | 159.6 | 91% | 0.907 | 83% | 0.834 | S | S | * | * | | | trans | -71.6 | 138.9 | 156.8 | -67.8 | 179.9 | -10.5 | 0 | 0 | 111.1 | | |
| 19 | T | 48.7 | Very low | 51.6 | Low | 151 Ų | 151 | 157.7 Ų | 157.7 | 93% | 0.926 | 84% | 0.835 | S | S | * | * | | | trans | -163.9 | 153.5 | 141.8 | 3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 20 | K | 50.4 | Low | 50.8 | Low | 192 Ų | 192 | 161 Ų | 161 | 84% | 0.835 | 84% | 0.84 | S | S | * | * | | | trans | -129.9 | 133.5 | -173.9 | 178.1 | -173 | 179 | -173.1 | 0 | 110.5 | | |
| 21 | P | 59.8 | Low | 50.7 | Low | 117 Ų | 117 | 158.5 Ų | 158.5 | 76% | 0.76 | 84% | 0.84 | S | S | * | * | | | trans | -105.5 | 171.3 | 164.4 | 36.3 | -28.2 | 0 | 0 | 0 | 113.1 | | |
| 22 | E | 57.9 | Low | 50.8 | Low | 192 Ų | 192 | 156.7 Ų | 156.7 | 90% | 0.897 | 84% | 0.838 | S | S | * | * | | | trans | -105.4 | 172.5 | -172.6 | -64 | 168.7 | 110.1 | 0 | 0 | 113.3 | | |
| 23 | E | 45.8 | Very low | 50.5 | Low | 189 Ų | 189 | 158.8 Ų | 158.8 | 88% | 0.883 | 85% | 0.845 | S | S | * | * | | | trans | -73.9 | 149.8 | 179.7 | -62 | 175.5 | 116 | 0 | 0 | 113.8 | | |
| 24 | P | 65.6 | Low | 50.8 | Low | 128 Ų | 128 | 159.8 Ų | 159.8 | 83% | 0.831 | 86% | 0.855 | S | S | * | * | | | trans | -92.4 | 153 | 164.7 | 36.3 | -32.1 | 0 | 0 | 0 | 112.7 | | |
| 25 | V | 56.7 | Low | 50.7 | Low | 145 Ų | 145 | 158.9 Ų | 158.9 | 88% | 0.879 | 85% | 0.846 | S | S | * | * | | | trans | -106.5 | 146.4 | 179.6 | -176.9 | 0 | 0 | 0 | 0 | 111 | | |
| 26 | E | 45.4 | Very low | 50.8 | Low | 182 Ų | 182 | 157.9 Ų | 157.9 | 85% | 0.85 | 85% | 0.846 | S | S | * | * | | | trans | -70.7 | 146.4 | 176.9 | -58 | -174.3 | 129.3 | 0 | 0 | 114 | | |
| 27 | E | 50.6 | Low | 50.6 | Low | 198 Ų | 198 | 154.3 Ų | 154.3 | 93% | 0.925 | 84% | 0.838 | S | S | * | * | | | trans | -150.3 | 163.5 | 140.8 | -138.5 | -174.4 | 148 | 0 | 0 | 111.5 | | |
| 28 | V | 44.8 | Very low | 50.6 | Low | 117 Ų | 117 | 155.7 Ų | 155.7 | 71% | 0.709 | 83% | 0.834 | S | S | * | * | | | trans | -113.8 | 150 | -158.2 | 177.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 29 | T | 47.4 | Very low | 50.7 | Low | 141 Ų | 141 | 152.1 Ų | 152.1 | 87% | 0.865 | 83% | 0.825 | S | S | * | * | | | trans | -155.9 | 161.1 | 151.6 | -6.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 30 | E | 51.3 | Low | 50.4 | Low | 189 Ų | 189 | 153 Ų | 153 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | | | trans | -87 | 170.1 | -153.3 | -56.9 | 172.7 | 108.8 | 0 | 0 | 117.2 | | |
| 31 | A | 46.4 | Very low | 50 | Low | 93 Ų | 93 | 153.3 Ų | 153.3 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | | | trans | -111.4 | 176.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 32 | P | 55.9 | Low | 48.9 | Very low | 133 Ų | 133 | 153.9 Ų | 153.9 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | | | trans | -133.6 | 162.4 | 146.6 | 37 | -24.7 | 0 | 0 | 0 | 115.1 | | |
| 33 | K | 45.2 | Very low | 48.2 | Very low | 173 Ų | 173 | 152.5 Ų | 152.5 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | | | trans | -99.3 | 161.7 | -173.5 | -51.7 | 172.2 | 179.7 | 177.5 | 0 | 114.1 | | |
| 34 | M | 54.1 | Low | 48.1 | Very low | 182 Ų | 182 | 149.5 Ų | 149.5 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | | | | -142.4 | 124.9 | 123.5 | -63.1 | -165.3 | -63.2 | 0 | 0 | 105.7 | | |
| 35 | E | 48.6 | Very low | 46.9 | Very low | 155 Ų | 155 | 150.2 Ų | 150.2 | 72% | 0.724 | 80% | 0.8 | S | S | * | * | | | | 66 | 98.5 | 56.4 | -67.2 | -162.8 | 152.3 | 0 | 0 | 114.6 | | |
| 36 | D | 51.7 | Low | 46.2 | Very low | 168 Ų | 168 | 151.8 Ų | 151.8 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | | | | -161.2 | 149.1 | 120.6 | -112.2 | -29.1 | 0 | 0 | 0 | 110.7 | | |
| 37 | T | 45.8 | Very low | 45.8 | Very low | 125 Ų | 125 | 147.1 Ų | 147.1 | 77% | 0.767 | 80% | 0.796 | S | S | * | * | | | trans | -146 | -172.9 | -165.3 | -22.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 38 | P | 48.2 | Very low | 45.6 | Very low | 106 Ų | 106 | 143.4 Ų | 143.4 | 69% | 0.688 | 79% | 0.792 | S | S | * | * | | | | -101.3 | -166.7 | -120.1 | 43.9 | -29.7 | 0 | 0 | 0 | 114.5 | | |
| 39 | T | 44.8 | Very low | 45.4 | Very low | 118 Ų | 118 | 146 Ų | 146 | 72% | 0.724 | 80% | 0.797 | S | S | * | * | | | | 178.1 | 155.2 | 120.8 | -70.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 40 | E | 42.9 | Very low | 45.4 | Very low | 171 Ų | 171 | 148.1 Ų | 148.1 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | | | trans | -31.4 | 151.1 | 178 | -54.4 | 165.3 | 96.2 | 0 | 0 | 120 | | |
| 41 | Q | 41.3 | Very low | 44.9 | Very low | 198 Ų | 198 | 147 Ų | 147 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | | | | -168.6 | 158.9 | 106.9 | -103.1 | 174 | 12.2 | 0 | 0 | 114.3 | | |
| 42 | T | 36.2 | Very low | 44.7 | Very low | 128 Ų | 128 | 151.3 Ų | 151.3 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | | | trans | -107.1 | 148.7 | -177 | 50.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 43 | E | 44.6 | Very low | 43.9 | Very low | 163 Ų | 163 | 150.3 Ų | 150.3 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | | | | 168.9 | 136.1 | 129.8 | -98.7 | -163.2 | 112.6 | 0 | 0 | 113.7 | | |
| 44 | N | 41.9 | Very low | 43.7 | Very low | 127 Ų | 127 | 149.8 Ų | 149.8 | 68% | 0.679 | 79% | 0.785 | S | S | * | * | | | trans | 59.5 | 169 | 147.4 | -53.2 | -29.7 | 0 | 0 | 0 | 118.5 | | |
| 45 | E | 41.3 | Very low | 43.2 | Very low | 142 Ų | 142 | 149.3 Ų | 149.3 | 66% | 0.664 | 78% | 0.78 | S | S | * | * | | | cis | -149.2 | 160.1 | -3.8 | -143.2 | -178.3 | 146.7 | 0 | 0 | 112 | | |
| 46 | K | 41.5 | Very low | 42.9 | Very low | 178 Ų | 178 | 149.8 Ų | 149.8 | 77% | 0.774 | 79% | 0.788 | S | S | * | * | | | trans | 6.8 | 116.5 | 160.5 | -64.2 | 159.4 | -168.8 | 155.4 | 0 | 120.4 | | |
| 47 | G | 37.9 | Very low | 42.4 | Very low | 84 Ų | 84 | 144.9 Ų | 144.9 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | | | | 83.2 | 141.9 | 87.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 48 | S | 45.3 | Very low | 42.2 | Very low | 121 Ų | 121 | 148 Ų | 148 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | | | trans | -146.7 | 154.5 | 153.5 | -169.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 49 | Q | 41 | Very low | 42 | Very low | 171 Ų | 171 | 148.5 Ų | 148.5 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | | | trans | -143.6 | 123.4 | 176.3 | -179.9 | -177.1 | 71.7 | 0 | 0 | 108.5 | | |
| 50 | E | 48.7 | Very low | 42.1 | Very low | 185 Ų | 185 | 153.9 Ų | 153.9 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | | | trans | -122.6 | 148.9 | -178.7 | -164.9 | 151.5 | -145.7 | 0 | 0 | 111 | | |
| 51 | K | 40.6 | Very low | 42.2 | Very low | 167 Ų | 167 | 154.9 Ų | 154.9 | 73% | 0.726 | 80% | 0.796 | S | S | * | * | | | trans | -141.5 | 130.8 | -175.4 | -69.2 | -179.4 | 177.9 | -178.6 | 0 | 110.2 | | |
| 52 | Q | 41.1 | Very low | 42.2 | Very low | 183 Ų | 183 | 154.8 Ų | 154.8 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | | | trans | -165.2 | 133.9 | 142.3 | -101.6 | 158.4 | -37.4 | 0 | 0 | 106.8 | | |
| 53 | T | 39 | Very low | 42.3 | Very low | 112 Ų | 112 | 153.5 Ų | 153.5 | 69% | 0.687 | 80% | 0.797 | S | S | * | * | | | | 76 | 124.5 | 61.9 | -54.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 54 | Q | 42.2 | Very low | 42.2 | Very low | 161 Ų | 161 | 149.1 Ų | 149.1 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | | | cis | -162.2 | -178.1 | 19.9 | -146.7 | 158.4 | -3.4 | 0 | 0 | 113.3 | | |
| 55 | Q | 42.2 | Very low | 42.3 | Very low | 172 Ų | 172 | 150.1 Ų | 150.1 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | 74.9 | 126.6 | 168.3 | -62.9 | 167.9 | -17.5 | 0 | 0 | 115.2 | | |
| 56 | D | 42.3 | Very low | 42.4 | Very low | 165 Ų | 165 | 153.2 Ų | 153.2 | 88% | 0.882 | 81% | 0.811 | S | S | * | * | | | cis | 87.4 | 126.3 | 27.9 | -70.7 | -50.4 | 0 | 0 | 0 | 116.4 | | |
| 57 | G | 42.4 | Very low | 42.5 | Very low | 65 Ų | 65 | 151.9 Ų | 151.9 | 67% | 0.67 | 81% | 0.808 | S | S | * | * | | | trans | 129.7 | 103.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 58 | E | 41 | Very low | 42.9 | Very low | 190 Ų | 190 | 157.1 Ų | 157.1 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | | | | 70.1 | 129.2 | 79 | -72.5 | -157.5 | 92.8 | 0 | 0 | 113.9 | | |
| 59 | V | 44.6 | Very low | 43 | Very low | 118 Ų | 118 | 161.4 Ų | 161.4 | 72% | 0.715 | 81% | 0.813 | S | S | * | * | | | cis | -142.8 | 131.2 | -7.4 | 144.4 | 0 | 0 | 0 | 0 | 111 | | |
| 60 | R | 45.9 | Very low | 43.3 | Very low | 231 Ų | 231 | 161.7 Ų | 161.7 | 87% | 0.872 | 81% | 0.814 | S | S | * | * | | | trans | -14.5 | 125.4 | 148.2 | 172.5 | -156.2 | -165.9 | 170.4 | 3.3 | 118.5 | | |
| 61 | E | 46.4 | Very low | 43.2 | Very low | 191 Ų | 191 | 161.8 Ų | 161.8 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | | | trans | -149.9 | 93.3 | 140.2 | -152.8 | 154.2 | -119.3 | 0 | 0 | 112.7 | | |
| 62 | E | 40.8 | Very low | 43.3 | Very low | 197 Ų | 197 | 163.2 Ų | 163.2 | 92% | 0.921 | 82% | 0.824 | S | S | * | * | | | trans | -116.2 | 94.8 | 163.9 | -82 | -169.4 | 140.8 | 0 | 0 | 108.4 | | |
| 63 | A | 38.4 | Very low | 43.5 | Very low | 100 Ų | 100 | 163.1 Ų | 163.1 | 83% | 0.826 | 82% | 0.821 | S | S | * | * | | | trans | -173.5 | 100.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 64 | G | 42.3 | Very low | 43.8 | Very low | 71 Ų | 71 | 163.4 Ų | 163.4 | 73% | 0.732 | 82% | 0.822 | S | S | * | * | | | trans | -168.1 | 119.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 65 | Q | 44.1 | Very low | 44 | Very low | 149 Ų | 149 | 164.5 Ų | 164.5 | 70% | 0.696 | 83% | 0.827 | S | S | * | * | | | trans | -35.6 | 140.5 | 178 | -68.8 | 126.2 | -80.6 | 0 | 0 | 114.4 | E67 | Q65-E67 VanDerWaalsContact C-N 3.33Å; Q65-E67 HydrophobicContact CB-CB 3.66Å; Q65-E67 HydrophobicContact CG-CB 4.13Å; Q65-E67 PolarHBondContact NE2-OE2 2.9Å |
| 66 | E | 42.4 | Very low | 44 | Very low | 207 Ų | 207 | 165.6 Ų | 165.6 | 97% | 0.967 | 83% | 0.832 | S | S | * | * | | | cis | 55.8 | 28.8 | 28.7 | -147 | 176 | -154.3 | 0 | 0 | 115.4 | | |
| 67 | E | 44.9 | Very low | 44.1 | Very low | 150 Ų | 150 | 166.8 Ų | 166.8 | 70% | 0.701 | 83% | 0.833 | S | S | * | * | | | trans | -148.6 | 33.6 | 176.9 | -157.2 | 156.4 | -149.6 | 0 | 0 | 113.3 | Q65 | Q65-E67 VanDerWaalsContact C-N 3.33Å; Q65-E67 HydrophobicContact CB-CB 3.66Å; Q65-E67 HydrophobicContact CG-CB 4.13Å; Q65-E67 PolarHBondContact NE2-OE2 2.9Å |
| 68 | E | 45.8 | Very low | 44.1 | Very low | 193 Ų | 193 | 172.8 Ų | 172.8 | 90% | 0.902 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -135.4 | 62.2 | 179.6 | -164.5 | -176.8 | -143.7 | 0 | 0 | 110.9 | | |
| 69 | K | 47.8 | Very low | 44.1 | Very low | 212 Ų | 212 | 173.4 Ų | 173.4 | 92% | 0.922 | 84% | 0.843 | S | S | * | * | S | Bend | trans | -155 | 10.3 | -172.3 | -128 | 168.3 | -166.4 | 160.1 | 0 | 117.7 | | |
| 70 | E | 46.7 | Very low | 43.7 | Very low | 177 Ų | 177 | 170.8 Ų | 170.8 | 83% | 0.827 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -126.1 | -7.3 | -172.3 | -158.8 | 153.1 | -152.8 | 0 | 0 | 114.8 | | |
| 71 | E | 46.2 | Very low | 43.6 | Very low | 186 Ų | 186 | 169.5 Ų | 169.5 | 87% | 0.869 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -94.7 | -26.7 | 179.8 | -59.3 | -159.8 | 138 | 0 | 0 | 114.7 | K73 | E71-K73 PolarHBondContact O-N 2.67Š|
| 72 | E | 42.4 | Very low | 43.3 | Very low | 197 Ų | 197 | 170.9 Ų | 170.9 | 92% | 0.921 | 84% | 0.841 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 43.7 | 178.1 | -158.9 | -162.5 | 169.2 | 0 | 0 | 112.9 | | |
| 73 | K | 45.3 | Very low | 43.3 | Very low | 182 Ų | 182 | 170 Ų | 170 | 79% | 0.791 | 84% | 0.837 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.6 | 15.4 | -179.7 | -141.5 | 166.4 | -173.9 | 158.5 | 0 | 117.3 | E71 | E71-K73 PolarHBondContact O-N 2.67Š|
| 74 | V | 46.4 | Very low | 43.4 | Very low | 117 Ų | 117 | 172.8 Ų | 172.8 | 71% | 0.709 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -115.4 | -5.4 | -171.8 | -177.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 75 | E | 45.8 | Very low | 43.4 | Very low | 185 Ų | 185 | 177.3 Ų | 177.3 | 86% | 0.864 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -101.9 | -28.3 | 177.2 | -63.9 | -163.1 | 122.2 | 0 | 0 | 115.1 | Q77 | E75-Q77 PolarHBondContact O-N 3.03Š|
| 76 | E | 43.1 | Very low | 43.2 | Very low | 194 Ų | 194 | 178.1 Ų | 178.1 | 91% | 0.907 | 84% | 0.838 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 29.3 | -172.9 | -152.4 | -169.9 | -178.4 | 0 | 0 | 114.8 | | |
| 77 | Q | 42.8 | Very low | 43.1 | Very low | 191 Ų | 191 | 175.2 Ų | 175.2 | 89% | 0.893 | 84% | 0.835 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.4 | 25.4 | -174.8 | -140.5 | 177.1 | 18.4 | 0 | 0 | 116.3 | E75 | E75-Q77 PolarHBondContact O-N 3.03Š|
| 78 | K | 43.4 | Very low | 43.1 | Very low | 190 Ų | 190 | 177.6 Ų | 177.6 | 83% | 0.826 | 84% | 0.843 | S | S | * | * | S | Bend | trans | -137.9 | 7.3 | -168 | -140.4 | -178.5 | -180 | -177.5 | 0 | 118.7 | | |
| 79 | E | 40.3 | Very low | 43.2 | Very low | 203 Ų | 203 | 173.7 Ų | 173.7 | 95% | 0.949 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -126.3 | 31.8 | -178.8 | -154.8 | 153.1 | -131.8 | 0 | 0 | 113.5 | | |
| 80 | G | 36 | Very low | 43.1 | Very low | 63 Ų | 63 | 172.4 Ų | 172.4 | 65% | 0.649 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -110.4 | 154.5 | 160.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 81 | E | 44.2 | Very low | 43 | Very low | 205 Ų | 205 | 172.2 Ų | 172.2 | 96% | 0.958 | 83% | 0.831 | S | S | * | * | | | trans | 60.7 | 81.2 | 179.8 | -57.2 | -169.7 | 107.4 | 0 | 0 | 116.9 | | |
| 82 | R | 41.1 | Very low | 43 | Very low | 220 Ų | 220 | 168.4 Ų | 168.4 | 83% | 0.83 | 82% | 0.822 | S | S | * | * | | | | -159.5 | 109.1 | 124.8 | -154.5 | 153.4 | -176.9 | 165.8 | -7 | 116 | | |
| 83 | E | 39.7 | Very low | 43 | Very low | 178 Ų | 178 | 165.2 Ų | 165.2 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | | | trans | -107 | 171.6 | 163.7 | -149.2 | 168.3 | -166.4 | 0 | 0 | 110.3 | | |
| 84 | E | 40.6 | Very low | 42.8 | Very low | 159 Ų | 159 | 165.3 Ų | 165.3 | 74% | 0.743 | 82% | 0.819 | S | S | * | * | | | trans | 48.3 | 115.8 | 167.6 | -57 | -155.2 | 117.3 | 0 | 0 | 121.7 | | |
| 85 | E | 42.1 | Very low | 42.9 | Very low | 165 Ų | 165 | 169 Ų | 169 | 77% | 0.771 | 83% | 0.829 | S | S | * | * | | | | -156.3 | 130.9 | 125 | -133.7 | 177.7 | 130.4 | 0 | 0 | 110.1 | | |
| 86 | Q | 39.4 | Very low | 42.6 | Very low | 166 Ų | 166 | 166 Ų | 166 | 78% | 0.776 | 82% | 0.823 | S | S | * | * | | | trans | -95.9 | 156.5 | -174.6 | -56.5 | 174.8 | 0.3 | 0 | 0 | 113.3 | | |
| 87 | T | 40.3 | Very low | 42.8 | Very low | 146 Ų | 146 | 163.6 Ų | 163.6 | 90% | 0.896 | 82% | 0.821 | S | S | * | * | | | trans | -168.6 | 138.4 | 132.2 | 10.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 88 | K | 44.9 | Very low | 42.6 | Very low | 200 Ų | 200 | 160.3 Ų | 160.3 | 87% | 0.87 | 82% | 0.815 | S | S | * | * | | | trans | -105 | -176.4 | 157.7 | -110 | -172 | 179.1 | -173.4 | 0 | 108.2 | | |
| 89 | P | 49.7 | Very low | 42.9 | Very low | 111 Ų | 111 | 160.7 Ų | 160.7 | 72% | 0.721 | 82% | 0.819 | S | S | * | * | | | cis | -120.6 | -150.9 | 7.3 | 41.6 | -20.8 | 0 | 0 | 0 | 111.3 | | |
| 90 | E | 44.1 | Very low | 43.1 | Very low | 186 Ų | 186 | 157.3 Ų | 157.3 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | | | cis | -163 | 159.9 | 42.7 | -161.7 | 165.6 | -150.8 | 0 | 0 | 111.4 | | |
| 91 | E | 44.4 | Very low | 43.7 | Very low | 173 Ų | 173 | 158.8 Ų | 158.8 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | | | trans | -137.1 | 160.4 | -175.5 | -157.4 | -167.9 | -96.6 | 0 | 0 | 108 | | |
| 92 | P | 46.4 | Very low | 43.6 | Very low | 106 Ų | 106 | 156.2 Ų | 156.2 | 69% | 0.688 | 79% | 0.787 | S | S | * | * | | | | -167.8 | 176.9 | 100.4 | 43.6 | -22.2 | 0 | 0 | 0 | 119.8 | | |
| 93 | V | 43.8 | Very low | 43.8 | Very low | 130 Ų | 130 | 152.5 Ų | 152.5 | 79% | 0.788 | 78% | 0.784 | S | S | * | * | | | trans | 82 | 122.2 | 154.1 | -171.5 | 0 | 0 | 0 | 0 | 120.8 | | |
| 94 | E | 39.5 | Very low | 44 | Very low | 184 Ų | 184 | 149.5 Ų | 149.5 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | | | trans | -104.3 | 167.6 | 156.3 | -68 | -162.6 | 119 | 0 | 0 | 113 | | |
| 95 | E | 48.4 | Very low | 44.3 | Very low | 193 Ų | 193 | 147.1 Ų | 147.1 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | | | trans | -133.2 | 145.2 | 165.1 | -170 | 170.6 | -150 | 0 | 0 | 110.5 | | |
| 96 | T | 41.1 | Very low | 44.3 | Very low | 122 Ų | 122 | 146.4 Ų | 146.4 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | -106.9 | 165.6 | -165.5 | 58.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 97 | V | 46.7 | Very low | 44.5 | Very low | 144 Ų | 144 | 145.3 Ų | 145.3 | 87% | 0.873 | 78% | 0.775 | S | S | * | * | | | trans | -168.8 | 148.9 | 140.8 | 133.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 98 | T | 38.5 | Very low | 44.6 | Very low | 123 Ų | 123 | 145.7 Ų | 145.7 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | | | trans | -116.7 | 154.9 | -173.5 | -42.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 99 | E | 49.7 | Very low | 44.6 | Very low | 197 Ų | 197 | 141.6 Ų | 141.6 | 92% | 0.921 | 76% | 0.759 | S | S | * | * | | | trans | -158.6 | 154.5 | 137.8 | -85.6 | -129.9 | 113.1 | 0 | 0 | 112.2 | | |
| 100 | E | 44.1 | Very low | 44.2 | Very low | 132 Ų | 132 | 144.3 Ų | 144.3 | 62% | 0.617 | 76% | 0.762 | S | S | * | * | | | trans | -119.5 | -153.2 | 176 | -143.1 | -137.3 | 129.3 | 0 | 0 | 106.6 | K102 | E100-K102 IonicContact OE1-NZ 2.73Å; E100-K102 PolarHBondContact OE1-NZ 3.02Å; E100-K102 IonicContact OE2-NZ 3.76Å; E100-K102 PolarHBondContact OE2-NZ 2.6Å |
| 101 | P | 49.1 | Very low | 44.3 | Very low | 95 Ų | 95 | 143.3 Ų | 143.3 | 62% | 0.617 | 76% | 0.763 | S | S | * | * | | | cis | -138.7 | 161.2 | -14.2 | 39.2 | -19.9 | 0 | 0 | 0 | 118.6 | | |
| 102 | K | 42.6 | Very low | 44.1 | Very low | 150 Ų | 150 | 143.8 Ų | 143.8 | 65% | 0.652 | 77% | 0.765 | S | S | * | * | | | trans | 68.3 | 159.5 | 135.6 | -72.2 | 166.7 | -173.5 | 63.4 | 0 | 126 | E100 | E100-K102 IonicContact OE1-NZ 2.73Å; E100-K102 PolarHBondContact OE1-NZ 3.02Å; E100-K102 IonicContact OE2-NZ 3.76Å; E100-K102 PolarHBondContact OE2-NZ 2.6Å |
| 103 | N | 45.3 | Very low | 44.2 | Very low | 143 Ų | 143 | 146.5 Ų | 146.5 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | | | trans | 85.5 | 140.4 | 158.4 | -74.1 | 2.6 | 0 | 0 | 0 | 120.5 | | |
| 104 | T | 43 | Very low | 44 | Very low | 114 Ų | 114 | 148.2 Ų | 148.2 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | | | cis | -177.7 | 174.1 | -31.2 | 19.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 105 | S | 46.9 | Very low | 44.4 | Very low | 109 Ų | 109 | 148.5 Ų | 148.5 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | | | trans | 72.3 | 150.1 | 161.7 | 67 | 0 | 0 | 0 | 0 | 119.5 | | |
| 106 | D | 42.1 | Very low | 44.2 | Very low | 150 Ų | 150 | 148.2 Ų | 148.2 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | | | cis | -168.2 | 178.8 | -31.7 | -137.1 | -50.1 | 0 | 0 | 0 | 112 | | |
| 107 | E | 43.8 | Very low | 44.2 | Very low | 143 Ų | 143 | 151.7 Ų | 151.7 | 67% | 0.668 | 78% | 0.777 | S | S | * | * | | | trans | 65.8 | 120.4 | 155.3 | -72.4 | -170 | 114.9 | 0 | 0 | 124.5 | | |
| 108 | Q | 42.7 | Very low | 44.1 | Very low | 155 Ų | 155 | 153.9 Ų | 153.9 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | | | | 69.7 | 153 | 129.2 | -65.3 | 178.1 | 17.4 | 0 | 0 | 121.4 | | |
| 109 | T | 44.7 | Very low | 44.3 | Very low | 113 Ų | 113 | 153.6 Ų | 153.6 | 69% | 0.693 | 78% | 0.779 | S | S | * | * | | | cis | -153.8 | 145.5 | -1 | 1.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 110 | E | 40.6 | Very low | 44 | Very low | 168 Ų | 168 | 152.8 Ų | 152.8 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | trans | 20.8 | 131.1 | 134.1 | -161.9 | 166.9 | -114.2 | 0 | 0 | 122.2 | | |
| 111 | N | 47 | Very low | 44 | Very low | 166 Ų | 166 | 155.3 Ų | 155.3 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | | | trans | -167 | 147.5 | 135.4 | -104.6 | -68.6 | 0 | 0 | 0 | 111.7 | | |
| 112 | E | 40.4 | Very low | 43.9 | Very low | 183 Ų | 183 | 157.1 Ų | 157.1 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | | | trans | -97.5 | 159.5 | -179.3 | -60 | 171.5 | 112.4 | 0 | 0 | 112.7 | | |
| 113 | N | 47.5 | Very low | 44.1 | Very low | 162 Ų | 162 | 158.2 Ų | 158.2 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | | | trans | -155.6 | 143.1 | 141.5 | -164.7 | 56.2 | 0 | 0 | 0 | 111 | | |
| 114 | E | 40.2 | Very low | 44.2 | Very low | 166 Ų | 166 | 157.8 Ų | 157.8 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | | | trans | -99.2 | -172.2 | 176.1 | -71.7 | -163 | 104.8 | 0 | 0 | 112.6 | | |
| 115 | E | 47 | Very low | 44.5 | Very low | 190 Ų | 190 | 155.8 Ų | 155.8 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | | | trans | 73.9 | 136.6 | -178.5 | -51.6 | -170.1 | 121.9 | 0 | 0 | 114.7 | | |
| 116 | E | 44.6 | Very low | 44.6 | Very low | 187 Ų | 187 | 157 Ų | 157 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | | | cis | -140.2 | 164.9 | 7.3 | -152.5 | -177.4 | 166.7 | 0 | 0 | 111.3 | | |
| 117 | K | 41.5 | Very low | 45.1 | Very low | 195 Ų | 195 | 154.4 Ų | 154.4 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | | | trans | -107.1 | 137.3 | -170.9 | -60.6 | 171.7 | -178.4 | 171 | 0 | 113.3 | | |
| 118 | Q | 44.9 | Very low | 45.7 | Very low | 191 Ų | 191 | 154.4 Ų | 154.4 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | | | trans | -157.8 | 153.5 | 132.4 | -79 | -139.2 | 2.2 | 0 | 0 | 110.8 | | |
| 119 | P | 42 | Very low | 46.2 | Very low | 117 Ų | 117 | 149.7 Ų | 149.7 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | | | trans | -93.5 | 130.4 | -167.9 | 34.6 | -33.3 | 0 | 0 | 0 | 114.7 | | |
| 120 | L | 43.1 | Very low | 46.7 | Very low | 180 Ų | 180 | 147.2 Ų | 147.2 | 94% | 0.942 | 77% | 0.767 | S | S | * | * | | | trans | -113.5 | 65.8 | 171.3 | -100.1 | 167.5 | 0 | 0 | 0 | 110.8 | | |
| 121 | Q | 43.9 | Very low | 47.5 | Very low | 184 Ų | 184 | 145.7 Ų | 145.7 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | | | trans | -143.5 | 89.5 | 177.4 | -74.5 | -171.1 | -25.6 | 0 | 0 | 111.5 | | |
| 122 | V | 47.9 | Very low | 48 | Very low | 133 Ų | 133 | 144.8 Ų | 144.8 | 81% | 0.806 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -143.6 | -37.8 | 164.9 | -168.1 | 0 | 0 | 0 | 0 | 111 | | |
| 123 | E | 47.3 | Very low | 48.8 | Very low | 174 Ų | 174 | 141.2 Ų | 141.2 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -29.9 | -167.1 | -157.1 | 161.2 | -169.8 | 0 | 0 | 114.8 | A125 | E123-A125 PolarHBondContact O-N 2.93Š|
| 124 | N | 48.1 | Very low | 49.4 | Very low | 134 Ų | 134 | 140.8 Ų | 140.8 | 72% | 0.717 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -22.1 | -177.5 | -72.2 | -9.8 | 0 | 0 | 0 | 114.6 | N126 V127 | N124-N126 PolarHBondContact O-N 3.21Å; N124-N126 VanDerWaalsContact O-N 3.16Å; N124-V127 PolarHBondContact O-N 2.89Å; N124-V127 VanDerWaalsContact O-N 3.08Å |
| 125 | A | 48.6 | Very low | 50.3 | Low | 72 Ų | 72 | 140.1 Ų | 140.1 | 60% | 0.595 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -64.5 | -21.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | E123 | E123-A125 PolarHBondContact O-N 2.93Å |
| 126 | N | 49.6 | Very low | 50.8 | Low | 134 Ų | 134 | 138.3 Ų | 138.3 | 72% | 0.717 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -84.1 | -14.5 | 178.4 | -161.1 | 39 | 0 | 0 | 0 | 113.3 | N124 | N124-N126 PolarHBondContact O-N 3.21Å; N124-N126 VanDerWaalsContact O-N 3.16Å |
| 127 | V | 52.3 | Low | 51.4 | Low | 95 Ų | 95 | 133.6 Ų | 133.6 | 58% | 0.576 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -84.7 | -38.4 | 177.1 | -175.4 | 0 | 0 | 0 | 0 | 110.6 | N124 A130 Q131 | N124-V127 PolarHBondContact O-N 2.89Å; N124-V127 VanDerWaalsContact O-N 3.08Å; V127-A130 PolarHBondContact O-N 2.81Å; V127-Q131 PolarHBondContact O-N 2.71Å; V127-Q131 VanDerWaalsContact O-N 3.14Å |
| 128 | E | 55.2 | Low | 52.2 | Low | 144 Ų | 144 | 131 Ų | 131 | 67% | 0.673 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -65.5 | -45.6 | -178.7 | -159.7 | 159.7 | -148.1 | 0 | 0 | 111.3 | A130 Q131 E132 | E128-A130 VanDerWaalsContact C-N 3.34Å; E128-A130 PolarHBondContact O-N 2.99Å; E128-Q131 PolarHBondContact O-N 3.16Å; E128-E132 PolarHBondContact O-N 3.09Å |
| 129 | A | 53.3 | Low | 52.8 | Low | 56 Ų | 56 | 129.2 Ų | 129.2 | 46% | 0.463 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -59.5 | -40 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q131 E132 E133 | A129-Q131 PolarHBondContact O-N 3.14Å; A129-E132 PolarHBondContact O-N 2.77Å; A129-E133 PolarHBondContact O-N 2.73Å; A129-E133 VanDerWaalsContact O-N 3.1Å |
| 130 | A | 55.7 | Low | 53.5 | Low | 61 Ų | 61 | 128.7 Ų | 128.7 | 50% | 0.504 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -71.8 | -16.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | V127 E128 | V127-A130 PolarHBondContact O-N 2.81Å; E128-A130 VanDerWaalsContact C-N 3.34Å; E128-A130 PolarHBondContact O-N 2.99Å |
| 131 | Q | 57.6 | Low | 54.2 | Low | 136 Ų | 136 | 127.7 Ų | 127.7 | 64% | 0.636 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -92.9 | -26 | 173.7 | -159.5 | 171 | 28.5 | 0 | 0 | 112.1 | V127 E128 A129 | V127-Q131 PolarHBondContact O-N 2.71Å; V127-Q131 VanDerWaalsContact O-N 3.14Å; E128-Q131 PolarHBondContact O-N 3.16Å; A129-Q131 PolarHBondContact O-N 3.14Å |
| 132 | E | 57.9 | Low | 54.7 | Low | 146 Ų | 146 | 126.4 Ų | 126.4 | 68% | 0.682 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -73.6 | -43.3 | 173.2 | -163.9 | 161.1 | -139.1 | 0 | 0 | 111.9 | E128 A129 K134 K135 E136 | E128-E132 PolarHBondContact O-N 3.09Å; A129-E132 PolarHBondContact O-N 2.77Å; E132-K134 PolarHBondContact O-N 2.73Å; E132-K134 VanDerWaalsContact O-N 3.14Å; E132-K135 PolarHBondContact O-N 3Å; E132-E136 PolarHBondContact O-N 2.83Å |
| 133 | E | 56.7 | Low | 55.1 | Low | 108 Ų | 108 | 127.8 Ų | 127.8 | 51% | 0.505 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -57.5 | -31.5 | 175.3 | -164 | -167.4 | 146.7 | 0 | 0 | 112.3 | A129 Q137 | A129-E133 PolarHBondContact O-N 2.73Å; A129-E133 VanDerWaalsContact O-N 3.1Å; E133-Q137 PolarHBondContact O-N 3.07Å; E133-Q137 PolarHBondContact OE1-NE2 2.83Å |
| 134 | K | 60 | Low | 55.5 | Low | 154 Ų | 154 | 126.8 Ų | 126.8 | 67% | 0.67 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.2 | -37.2 | 174.3 | -82.7 | -166.4 | 168.9 | -167.5 | 0 | 113.4 | E132 E136 E138 | E132-K134 PolarHBondContact O-N 2.73Å; E132-K134 VanDerWaalsContact O-N 3.14Å; K134-E136 VanDerWaalsContact C-N 3.32Å; K134-E138 PolarHBondContact O-N 2.92Å |
| 135 | K | 59.4 | Low | 55.8 | Low | 151 Ų | 151 | 124.2 Ų | 124.2 | 66% | 0.657 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -75.1 | -20.3 | 178.4 | -86.8 | -176.6 | 172.1 | 177 | 0 | 113.7 | E132 | E132-K135 PolarHBondContact O-N 3Å |
| 136 | E | 57.5 | Low | 55.7 | Low | 153 Ų | 153 | 123.9 Ų | 123.9 | 72% | 0.715 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -80.8 | -38.6 | 172.9 | -160.5 | 167.8 | -148 | 0 | 0 | 111.2 | E132 K134 E138 K139 | E132-E136 PolarHBondContact O-N 2.83Å; K134-E136 VanDerWaalsContact C-N 3.32Å; E136-E138 PolarHBondContact O-N 3.16Å; E136-K139 PolarHBondContact O-N 3.38Å |
| 137 | Q | 58 | Low | 55.7 | Low | 87 Ų | 87 | 124.8 Ų | 124.8 | 41% | 0.407 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -65.6 | -36 | 175 | -73.1 | 175.7 | 32.7 | 0 | 0 | 113.3 | E133 K139 D140 | E133-Q137 PolarHBondContact O-N 3.07Å; E133-Q137 PolarHBondContact OE1-NE2 2.83Å; Q137-K139 PolarHBondContact O-N 3.04Å; Q137-D140 PolarHBondContact O-N 3.08Å |
| 138 | E | 56.7 | Low | 55.5 | Low | 142 Ų | 142 | 126.6 Ų | 126.6 | 66% | 0.664 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -67.3 | -18.1 | -178.5 | -164.4 | 168.6 | -153.1 | 0 | 0 | 113.8 | K134 E136 | K134-E138 PolarHBondContact O-N 2.92Å; E136-E138 PolarHBondContact O-N 3.16Å |
| 139 | K | 58.7 | Low | 55 | Low | 153 Ų | 153 | 128.4 Ų | 128.4 | 67% | 0.665 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -91.7 | -31.2 | 176.4 | -75.4 | -172.9 | 170.6 | -172.1 | 0 | 114.6 | E136 Q137 E141 E142 E143 | E136-K139 PolarHBondContact O-N 3.38Å; Q137-K139 PolarHBondContact O-N 3.04Å; K139-E141 PolarHBondContact O-N 3.16Å; K139-E142 PolarHBondContact O-N 2.89Å; K139-E143 PolarHBondContact O-N 3.32Å |
| 140 | D | 55.5 | Low | 55 | Low | 105 Ų | 105 | 133.3 Ų | 133.3 | 56% | 0.561 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -68.2 | -19.1 | -177.1 | -131.3 | 33.1 | 0 | 0 | 0 | 111.7 | Q137 | Q137-D140 PolarHBondContact O-N 3.08Å |
| 141 | E | 57.4 | Low | 54.6 | Low | 160 Ų | 160 | 136 Ų | 136 | 75% | 0.748 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -90.4 | -32.1 | 174.4 | -65.4 | -168.1 | 137.6 | 0 | 0 | 113.6 | K139 A145 | K139-E141 PolarHBondContact O-N 3.16Å; E141-A145 PolarHBondContact O-N 2.94Å |
| 142 | E | 55.2 | Low | 54.1 | Low | 157 Ų | 157 | 137.9 Ų | 137.9 | 73% | 0.734 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -68.5 | -37.6 | 178.4 | -168 | 175.9 | -160.5 | 0 | 0 | 111.7 | K139 Q144 A145 | K139-E142 PolarHBondContact O-N 2.89Å; E142-Q144 PolarHBondContact O-N 3.5Å; E142-A145 PolarHBondContact O-N 2.93Å |
| 143 | E | 56.2 | Low | 53.7 | Low | 161 Ų | 161 | 140.4 Ų | 140.4 | 75% | 0.752 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -71.3 | -26.8 | -178.6 | -163.4 | 164 | -136.2 | 0 | 0 | 113.2 | K139 | K139-E143 PolarHBondContact O-N 3.32Å |
| 144 | Q | 56.5 | Low | 52.9 | Low | 153 Ų | 153 | 140.6 Ų | 140.6 | 72% | 0.715 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -83.5 | -17.4 | 176.3 | -64.4 | -166.5 | 25.8 | 0 | 0 | 114.1 | E142 | E142-Q144 PolarHBondContact O-N 3.5Å |
| 145 | A | 54.1 | Low | 52.3 | Low | 81 Ų | 81 | 141.9 Ų | 141.9 | 67% | 0.669 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -75.6 | -23.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E141 E142 | E141-A145 PolarHBondContact O-N 2.94Å; E142-A145 PolarHBondContact O-N 2.93Å |
| 146 | G | 46.4 | Very low | 51.6 | Low | 65 Ų | 65 | 140.2 Ų | 140.2 | 67% | 0.67 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -85.2 | -14.2 | -168.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 147 | E | 49.2 | Very low | 50.7 | Low | 152 Ų | 152 | 142 Ų | 142 | 71% | 0.71 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -93.9 | -5.5 | -168.2 | -136.3 | -167.5 | 157.7 | 0 | 0 | 115.9 | | |
| 148 | V | 48.8 | Very low | 50.4 | Low | 134 Ų | 134 | 147 Ų | 147 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -88.3 | -14.6 | -168.7 | -170.6 | 0 | 0 | 0 | 0 | 113.7 | | |
| 149 | E | 44.6 | Very low | 50.1 | Low | 182 Ų | 182 | 148.8 Ų | 148.8 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | | | trans | -109.8 | 78.2 | -172 | -161.3 | 169.9 | -135.7 | 0 | 0 | 114 | | |
| 150 | K | 53.2 | Low | 49.3 | Very low | 158 Ų | 158 | 147.4 Ų | 147.4 | 69% | 0.687 | 77% | 0.774 | S | S | * | * | | | trans | -119.1 | 104.6 | 167.8 | -77.8 | 170.6 | -174.6 | 148 | 0 | 110.4 | I152 | K150-I152 PolarHBondContact O-N 2.67Š|
| 151 | P | 46.4 | Very low | 48.9 | Very low | 119 Ų | 119 | 151.7 Ų | 151.7 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | trans | -69.5 | 127.4 | -177.5 | 26.8 | -33.7 | 0 | 0 | 0 | 111.6 | K153 | P151-K153 PolarHBondContact O-N 2.72Š|
| 152 | I | 48.4 | Very low | 48.2 | Very low | 175 Ų | 175 | 150.8 Ų | 150.8 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | | | trans | -67.5 | 105.8 | 174.8 | -59.5 | 175.6 | 0 | 0 | 0 | 108.4 | K150 | K150-I152 PolarHBondContact O-N 2.67Š|
| 153 | K | 49.2 | Very low | 47.7 | Very low | 198 Ų | 198 | 148.7 Ų | 148.7 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | | | trans | -84.6 | 121.1 | -175 | -155.8 | 172.9 | -172.5 | 177.7 | 0 | 110.3 | P151 | P151-K153 PolarHBondContact O-N 2.72Š|
| 154 | S | 39.6 | Very low | 47 | Very low | 113 Ų | 113 | 146 Ų | 146 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | | | trans | -75.5 | 138.1 | 178.9 | 49.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 155 | E | 47.6 | Very low | 46.5 | Very low | 180 Ų | 180 | 143.9 Ų | 143.9 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | | | trans | -134.1 | 162.3 | 168.5 | -103.1 | -154.7 | 117 | 0 | 0 | 109.9 | | |
| 156 | P | 45 | Very low | 46.1 | Very low | 117 Ų | 117 | 143.2 Ų | 143.2 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | | | | -98.9 | 171.9 | -124.9 | -9.7 | 29.6 | 0 | 0 | 0 | 117.9 | | |
| 157 | E | 38.3 | Very low | 46.4 | Very low | 189 Ų | 189 | 147.9 Ų | 147.9 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | | | trans | -72.1 | 125.2 | 174.7 | -177 | 175.5 | -152.1 | 0 | 0 | 112.5 | | |
| 158 | E | 52.3 | Low | 46.3 | Very low | 194 Ų | 194 | 144.8 Ų | 144.8 | 91% | 0.907 | 79% | 0.794 | S | S | * | * | | | trans | -128.6 | 150 | 158.4 | -86.9 | -155.3 | 129.8 | 0 | 0 | 110.3 | | |
| 159 | E | 48.7 | Very low | 46.6 | Very low | 179 Ų | 179 | 145.9 Ų | 145.9 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | | | trans | -76.5 | 151.4 | -164.2 | -67.3 | -172.8 | 121.5 | 0 | 0 | 115.2 | | |
| 160 | P | 42.4 | Very low | 47.1 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | | | trans | -78.3 | 136.2 | 173.1 | 32.2 | -34.2 | 0 | 0 | 0 | 112.4 | | |
| 161 | Q | 47.5 | Very low | 47 | Very low | 194 Ų | 194 | 144.5 Ų | 144.5 | 91% | 0.907 | 78% | 0.781 | S | S | * | * | | | trans | -128.9 | 161.7 | 160.9 | -70.4 | -159.3 | 3.3 | 0 | 0 | 112.2 | | |
| 162 | D | 43.3 | Very low | 47 | Very low | 141 Ų | 141 | 144.9 Ų | 144.9 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | | | trans | -124.5 | 162.2 | -146 | -176.5 | 21.9 | 0 | 0 | 0 | 112.9 | | |
| 163 | T | 44 | Very low | 46.9 | Very low | 114 Ų | 114 | 144 Ų | 144 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | | | trans | 71.1 | 153.3 | 170 | 79.7 | 0 | 0 | 0 | 0 | 117.6 | | |
| 164 | S | 41.6 | Very low | 46.9 | Very low | 105 Ų | 105 | 137.6 Ų | 137.6 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | | | cis | -170.6 | 164.7 | -28.6 | 57.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 165 | A | 46.7 | Very low | 47.1 | Very low | 107 Ų | 107 | 141.2 Ų | 141.2 | 88% | 0.884 | 77% | 0.767 | S | S | * | * | | | trans | 72.2 | 150.5 | 152.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 166 | G | 46 | Very low | 47.2 | Very low | 68 Ų | 68 | 141.9 Ų | 141.9 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | | | trans | 123.2 | 74.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 167 | E | 51.8 | Low | 47.4 | Very low | 162 Ų | 162 | 145.6 Ų | 145.6 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | | | | 61 | 134.3 | 94 | -75 | -135.6 | 95.3 | 0 | 0 | 116.4 | K169 | E167-K169 IonicContact OE1-NZ 2.67Å; E167-K169 PolarHBondContact OE1-NZ 2.87Å |
| 168 | T | 47.6 | Very low | 47.8 | Very low | 87 Ų | 87 | 142.8 Ų | 142.8 | 53% | 0.534 | 77% | 0.773 | S | S | . | * | | | cis | -170.5 | 163.6 | -12.4 | 23.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 169 | K | 53.9 | Low | 47.5 | Very low | 157 Ų | 157 | 137.9 Ų | 137.9 | 68% | 0.683 | 77% | 0.765 | S | S | * | * | | | trans | 71.7 | 149 | 151.8 | -64.4 | 141.4 | -157.4 | 134.9 | 0 | 115 | E167 | E167-K169 IonicContact OE1-NZ 2.67Å; E167-K169 PolarHBondContact OE1-NZ 2.87Å |
| 170 | K | 55.5 | Low | 47.2 | Very low | 168 Ų | 168 | 135.4 Ų | 135.4 | 73% | 0.73 | 76% | 0.762 | S | S | * | * | | | cis | -155.7 | 166 | 13.5 | -141.1 | 162.3 | -176.5 | -73.1 | 0 | 114.2 | | |
| 171 | E | 50.6 | Low | 47.1 | Very low | 144 Ų | 144 | 136.3 Ų | 136.3 | 67% | 0.673 | 76% | 0.759 | S | S | * | * | | | trans | -37.3 | 155.4 | 173.9 | -54.5 | 145 | 104 | 0 | 0 | 116.5 | | |
| 172 | T | 47.8 | Very low | 46.8 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | | | cis | -156.8 | 142.1 | 46.6 | 37.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 173 | N | 45 | Very low | 46.6 | Very low | 157 Ų | 157 | 136.6 Ų | 136.6 | 84% | 0.84 | 76% | 0.756 | S | S | * | * | | | | 61.1 | 131 | 92.6 | -146.6 | 43.5 | 0 | 0 | 0 | 114.7 | | |
| 174 | A | 49.3 | Very low | 46.4 | Very low | 64 Ų | 64 | 138.9 Ų | 138.9 | 53% | 0.529 | 76% | 0.756 | S | S | . | * | | | cis | -144.2 | 155 | 17.1 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 175 | E | 45.1 | Very low | 46.4 | Very low | 189 Ų | 189 | 143.2 Ų | 143.2 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | | | | 66.2 | 100.6 | 105 | -165.5 | 166.4 | -160.9 | 0 | 0 | 113.4 | | |
| 176 | E | 49.2 | Very low | 46.2 | Very low | 194 Ų | 194 | 143.1 Ų | 143.1 | 91% | 0.907 | 76% | 0.757 | S | S | * | * | | | | -140 | 177.5 | 78.4 | -168.2 | 167.2 | -168.7 | 0 | 0 | 113.7 | | |
| 177 | K | 49.8 | Very low | 46 | Very low | 195 Ų | 195 | 145.9 Ų | 145.9 | 85% | 0.848 | 76% | 0.76 | S | S | * | * | | | trans | -125.8 | 151.6 | -176.4 | -91.2 | -170.9 | 175.3 | -176.4 | 0 | 114.5 | | |
| 178 | P | 45.3 | Very low | 45.7 | Very low | 130 Ų | 130 | 146 Ų | 146 | 84% | 0.844 | 76% | 0.759 | S | S | * | * | | | trans | -88.8 | 162.1 | -176.4 | 36.9 | -37.3 | 0 | 0 | 0 | 114 | | |
| 179 | A | 46.7 | Very low | 45.6 | Very low | 91 Ų | 91 | 150 Ų | 150 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | | | trans | -152.4 | 130.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 180 | V | 41.4 | Very low | 45 | Very low | 127 Ų | 127 | 149.7 Ų | 149.7 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | | | trans | 58.2 | 103.1 | 137.6 | -179.3 | 0 | 0 | 0 | 0 | 117.2 | | |
| 181 | L | 42 | Very low | 44.2 | Very low | 142 Ų | 142 | 144.9 Ų | 144.9 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | | | | 65 | 128 | 81.1 | -83.7 | 168.1 | 0 | 0 | 0 | 115.6 | | |
| 182 | E | 41 | Very low | 43.7 | Very low | 175 Ų | 175 | 147.1 Ų | 147.1 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | trans | 22.3 | 132.9 | 153.1 | -58.6 | -179.6 | 122.3 | 0 | 0 | 120.5 | | |
| 183 | H | 38 | Very low | 43.5 | Very low | 167 Ų | 167 | 150.5 Ų | 150.5 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | | | | 159.1 | 141.3 | 93.5 | -160.5 | -12.5 | 0 | 0 | 0 | 110.8 | | |
| 184 | K | 40.8 | Very low | 43.4 | Very low | 161 Ų | 161 | 150.2 Ų | 150.2 | 70% | 0.7 | 78% | 0.781 | S | S | * | * | | | trans | 79.9 | 102.4 | 165 | -47.6 | -180 | -175 | 179.5 | 0 | 117.4 | | |
| 185 | Q | 41.9 | Very low | 43.2 | Very low | 196 Ų | 196 | 156.6 Ų | 156.6 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | | | | -109.1 | 126.4 | 117.9 | -83.5 | -174.2 | -65.7 | 0 | 0 | 108.5 | | |
| 186 | S | 41.2 | Very low | 43.3 | Very low | 105 Ų | 105 | 153.6 Ų | 153.6 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | trans | -125.4 | 118.9 | 169.5 | 53.5 | 0 | 0 | 0 | 0 | 106.5 | | |
| 187 | V | 42.7 | Very low | 43.3 | Very low | 126 Ų | 126 | 152.3 Ų | 152.3 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | | | trans | -118.3 | 140.4 | 170.3 | -178.7 | 0 | 0 | 0 | 0 | 107.2 | | |
| 188 | K | 44.5 | Very low | 43.1 | Very low | 165 Ų | 165 | 149.8 Ų | 149.8 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | | | trans | -147.1 | 110.8 | -174.5 | 174.6 | -173.6 | 178.4 | -74.9 | 0 | 107.9 | E190 | K188-E190 VanDerWaalsContact NZ-CD 3.33Å; K188-E190 IonicContact NZ-OE1 3.4Å; K188-E190 PolarHBondContact NZ-OE1 3.05Å; K188-E190 IonicContact NZ-OE2 2.75Å; K188-E190 PolarHBondContact NZ-OE2 3.33Å |
| 189 | E | 46.5 | Very low | 43.1 | Very low | 172 Ų | 172 | 149 Ų | 149 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | | | trans | -164.2 | 113 | -173.3 | -161.4 | 158.1 | -139.3 | 0 | 0 | 103.7 | | |
| 190 | E | 41.1 | Very low | 43.2 | Very low | 150 Ų | 150 | 152.3 Ų | 152.3 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | | | cis | 79 | 117.7 | 17.2 | -149.9 | 164.6 | -150.2 | 0 | 0 | 113.3 | K188 | K188-E190 VanDerWaalsContact NZ-CD 3.33Å; K188-E190 IonicContact NZ-OE1 3.4Å; K188-E190 PolarHBondContact NZ-OE1 3.05Å; K188-E190 IonicContact NZ-OE2 2.75Å; K188-E190 PolarHBondContact NZ-OE2 3.33Å |
| 191 | G | 38.5 | Very low | 43.5 | Very low | 66 Ų | 66 | 151 Ų | 151 | 68% | 0.68 | 75% | 0.748 | S | S | * | * | | | trans | 98.6 | 119.5 | -153.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 192 | E | 40.1 | Very low | 43.6 | Very low | 191 Ų | 191 | 152.2 Ų | 152.2 | 89% | 0.893 | 75% | 0.749 | S | S | * | * | | | cis | 63.7 | 76.4 | 10.1 | -160.2 | 174.6 | -162.9 | 0 | 0 | 114.9 | | |
| 193 | E | 43.3 | Very low | 44.1 | Very low | 197 Ų | 197 | 152.5 Ų | 152.5 | 92% | 0.921 | 75% | 0.751 | S | S | * | * | | | trans | -115.3 | 127.8 | 151.7 | -80.7 | -168.6 | 126.6 | 0 | 0 | 109.8 | | |
| 194 | E | 42.7 | Very low | 44.5 | Very low | 151 Ų | 151 | 151 Ų | 151 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | | | trans | -82.2 | 130.5 | 158.4 | -60.2 | 179.1 | 92.5 | 0 | 0 | 108.5 | K196 | E194-K196 WeakPolarHBondContact OE1-CE 3.39Å; E194-K196 IonicContact OE1-NZ 2.6Å; E194-K196 PolarHBondContact OE1-NZ 3.38Å; E194-K196 IonicContact OE2-NZ 2.93Å; E194-K196 PolarHBondContact OE2-NZ 2.96Å |
| 195 | E | 45.7 | Very low | 44.7 | Very low | 199 Ų | 199 | 149 Ų | 149 | 93% | 0.93 | 75% | 0.747 | S | S | * | * | | | trans | -117.9 | 142.4 | 152.1 | -158.1 | 165.4 | -148.6 | 0 | 0 | 110.2 | | |
| 196 | K | 46.1 | Very low | 45 | Very low | 126 Ų | 126 | 147.4 Ų | 147.4 | 55% | 0.548 | 74% | 0.737 | S | S | . | * | | | trans | -123.9 | 164.9 | -168 | -63.9 | -179.9 | 173.5 | 65.8 | 0 | 109.8 | E194 | E194-K196 WeakPolarHBondContact OE1-CE 3.39Å; E194-K196 IonicContact OE1-NZ 2.6Å; E194-K196 PolarHBondContact OE1-NZ 3.38Å; E194-K196 IonicContact OE2-NZ 2.93Å; E194-K196 PolarHBondContact OE2-NZ 2.96Å |
| 197 | K | 49.2 | Very low | 45.8 | Very low | 166 Ų | 166 | 151.8 Ų | 151.8 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | | | trans | 73.1 | 160.9 | 170.5 | -61.3 | 145.3 | 135.9 | -74.1 | 0 | 113.2 | | |
| 198 | E | 46.8 | Very low | 45.8 | Very low | 143 Ų | 143 | 152 Ų | 152 | 67% | 0.668 | 75% | 0.748 | S | S | * | * | | | cis | -147.2 | 147.5 | -8 | -119.7 | 145.1 | -175.4 | 0 | 0 | 105 | | |
| 199 | N | 46 | Very low | 46.2 | Very low | 114 Ų | 114 | 149.8 Ų | 149.8 | 61% | 0.61 | 75% | 0.751 | S | S | * | * | | | | -176 | 151.5 | 66.6 | -124.9 | 22.2 | 0 | 0 | 0 | 109.3 | | |
| 200 | E | 47.1 | Very low | 46.3 | Very low | 159 Ų | 159 | 147.9 Ų | 147.9 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | | | | 57.8 | 140.4 | 99.6 | -67.3 | -165.8 | 125.6 | 0 | 0 | 116.1 | | |
| 201 | V | 47.6 | Very low | 46.7 | Very low | 101 Ų | 101 | 146.2 Ų | 146.2 | 61% | 0.612 | 75% | 0.753 | S | S | * | * | | | cis | -162.5 | 155.1 | 18.3 | 98.9 | 0 | 0 | 0 | 0 | 113 | | |
| 202 | E | 45.8 | Very low | 46.8 | Very low | 166 Ų | 166 | 147.2 Ų | 147.2 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | | | trans | 53.9 | 155.8 | 156.7 | -68.8 | 167.4 | 158.2 | 0 | 0 | 121.9 | | |
| 203 | E | 49.6 | Very low | 47 | Very low | 181 Ų | 181 | 145 Ų | 145 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | | | cis | -142.7 | 175.4 | -0.8 | -138 | -174 | 165.2 | 0 | 0 | 113.1 | | |
| 204 | E | 46.7 | Very low | 47 | Very low | 137 Ų | 137 | 143.4 Ų | 143.4 | 64% | 0.64 | 74% | 0.741 | S | S | * | * | | | trans | -96.6 | -156.7 | -178.4 | -124.5 | -153.6 | 142.1 | 0 | 0 | 111.4 | K206 | E204-K206 IonicContact OE1-NZ 2.9Å; E204-K206 PolarHBondContact OE1-NZ 2.97Å |
| 205 | P | 44.8 | Very low | 47.4 | Very low | 117 Ų | 117 | 145.2 Ų | 145.2 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | | | cis | -131 | -174.1 | 0.5 | 35.2 | -12.5 | 0 | 0 | 0 | 116.2 | | |
| 206 | K | 50.1 | Low | 47.2 | Very low | 163 Ų | 163 | 143.2 Ų | 143.2 | 71% | 0.709 | 75% | 0.746 | S | S | * | * | | | trans | -101.2 | 150.1 | 178.2 | -43.6 | 171.4 | -173.4 | 71.5 | 0 | 112.1 | E204 | E204-K206 IonicContact OE1-NZ 2.9Å; E204-K206 PolarHBondContact OE1-NZ 2.97Å |
| 207 | E | 56.7 | Low | 47.3 | Very low | 198 Ų | 198 | 146.1 Ų | 146.1 | 93% | 0.925 | 76% | 0.761 | S | S | * | * | | | trans | -139.3 | 161.7 | 152.7 | -76 | -153.3 | 145.9 | 0 | 0 | 112.2 | | |
| 208 | T | 43.8 | Very low | 47.2 | Very low | 130 Ų | 130 | 144.7 Ų | 144.7 | 80% | 0.798 | 76% | 0.757 | S | S | * | * | | | trans | -159.5 | 169.7 | -167.4 | 53.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 209 | P | 51.7 | Low | 47.1 | Very low | 119 Ų | 119 | 145.2 Ų | 145.2 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | | | cis | -131.2 | -166.2 | -32.9 | 34.8 | -14.5 | 0 | 0 | 0 | 113.5 | | |
| 210 | T | 49.3 | Very low | 47.1 | Very low | 131 Ų | 131 | 149.2 Ų | 149.2 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | -59.7 | 168.6 | 175.8 | 4.4 | 0 | 0 | 0 | 0 | 116 | | |
| 211 | P | 49.7 | Very low | 47.3 | Very low | 116 Ų | 116 | 151 Ų | 151 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | | | | -157.7 | 172.5 | 61 | 44 | -22.6 | 0 | 0 | 0 | 121.1 | | |
| 212 | A | 41 | Very low | 47.1 | Very low | 86 Ų | 86 | 154.6 Ų | 154.6 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | | | trans | 64.7 | 156.4 | 151 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 213 | D | 42.6 | Very low | 47.6 | Very low | 146 Ų | 146 | 151.1 Ų | 151.1 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | | | cis | -160.5 | 175.4 | 11.3 | -138.8 | -32.9 | 0 | 0 | 0 | 113.3 | | |
| 214 | E | 43.6 | Very low | 47.4 | Very low | 162 Ų | 162 | 150.2 Ų | 150.2 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | | | trans | 45.7 | 124.7 | 159.5 | -55.9 | -168.3 | 122.4 | 0 | 0 | 124 | | |
| 215 | Q | 50.7 | Low | 47.7 | Very low | 190 Ų | 190 | 151.1 Ų | 151.1 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | | | | 167.4 | 158.7 | 103.2 | -82.7 | -154.5 | -24.4 | 0 | 0 | 114.2 | | |
| 216 | N | 42.3 | Very low | 47.9 | Very low | 157 Ų | 157 | 153.6 Ų | 153.6 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | | | trans | -158.2 | 121 | -172.3 | 163.9 | 74.5 | 0 | 0 | 0 | 113.6 | | |
| 217 | E | 49.2 | Very low | 47.8 | Very low | 186 Ų | 186 | 152.5 Ų | 152.5 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | | | trans | -180 | 155.7 | 167.8 | -106.2 | 179.9 | -157.8 | 0 | 0 | 107.6 | | |
| 218 | E | 46.8 | Very low | 47.8 | Very low | 136 Ų | 136 | 151 Ų | 151 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | | | cis | -167 | 161.9 | -19.6 | -132.4 | -79.4 | 79.9 | 0 | 0 | 108.6 | | |
| 219 | Q | 43.6 | Very low | 47.8 | Very low | 155 Ų | 155 | 151.3 Ų | 151.3 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | | | trans | 65.6 | 137.4 | 169.1 | -68.3 | 144.1 | 45 | 0 | 0 | 118.6 | | |
| 220 | K | 46.6 | Very low | 48.3 | Very low | 197 Ų | 197 | 152.8 Ų | 152.8 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | | | cis | 97.9 | 97.2 | 14 | -167.4 | -169.8 | 177.3 | -179.3 | 0 | 116.6 | | |
| 221 | E | 50.7 | Low | 48.1 | Very low | 196 Ų | 196 | 153.6 Ų | 153.6 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | | | trans | -157.1 | 151.6 | 149.5 | -131.9 | 170.4 | -164.5 | 0 | 0 | 113 | | |
| 222 | E | 43.3 | Very low | 48.5 | Very low | 178 Ų | 178 | 154.3 Ų | 154.3 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | trans | -147.1 | 176.6 | 178.1 | -122.7 | -165.5 | 151.5 | 0 | 0 | 105.8 | | |
| 223 | P | 55.9 | Low | 48.9 | Very low | 93 Ų | 93 | 157.6 Ų | 157.6 | 60% | 0.604 | 78% | 0.775 | S | S | * | * | | | cis | -149.7 | -172.4 | 28.6 | 43.7 | -21.2 | 0 | 0 | 0 | 117.7 | | |
| 224 | E | 45.7 | Very low | 49.8 | Very low | 162 Ų | 162 | 158.2 Ų | 158.2 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | | | trans | 48.6 | 138.2 | 139.1 | -73.5 | 166.3 | 149.5 | 0 | 0 | 124.6 | | |
| 225 | N | 53 | Low | 49.8 | Very low | 155 Ų | 155 | 155.6 Ų | 155.6 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | | | trans | 170.5 | 102.3 | 135.1 | -92.9 | -75.6 | 0 | 0 | 0 | 107.2 | | |
| 226 | E | 49.4 | Very low | 49.8 | Very low | 170 Ų | 170 | 150 Ų | 150 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | | | | 79.1 | 115.6 | 74 | -80.5 | -151.8 | 142.5 | 0 | 0 | 117.8 | | |
| 227 | E | 48.1 | Very low | 49.7 | Very low | 139 Ų | 139 | 150.6 Ų | 150.6 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | | | trans | 64.9 | 111.4 | 135.9 | -135.5 | -149.5 | 139.4 | 0 | 0 | 121.9 | | |
| 228 | K | 56.6 | Low | 49.6 | Very low | 166 Ų | 166 | 146.9 Ų | 146.9 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | | | | 173.9 | 148 | 99.4 | -93.7 | -179.1 | 177.3 | 63.3 | 0 | 115.2 | | |
| 229 | T | 45.1 | Very low | 49.5 | Very low | 138 Ų | 138 | 147.3 Ų | 147.3 | 85% | 0.847 | 76% | 0.755 | S | S | * | * | | | trans | -85.9 | 160.1 | 167.4 | 50.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 230 | D | 60.3 | Low | 49.6 | Very low | 150 Ų | 150 | 146.8 Ų | 146.8 | 80% | 0.802 | 75% | 0.752 | S | S | * | * | | | trans | -142.2 | 135 | 150.7 | -151.5 | -7.8 | 0 | 0 | 0 | 111.6 | | |
| 231 | E | 45.6 | Very low | 49.3 | Very low | 147 Ų | 147 | 146.3 Ų | 146.3 | 69% | 0.687 | 75% | 0.75 | S | S | * | * | | | trans | -99.5 | 133.6 | 169.3 | -85 | -156.5 | 119.2 | 0 | 0 | 108 | K233 | E231-K233 IonicContact OE1-NZ 2.69Å; E231-K233 PolarHBondContact OE1-NZ 2.87Å; E231-K233 IonicContact OE2-NZ 2.83Å; E231-K233 PolarHBondContact OE2-NZ 3.35Å |
| 232 | T | 58.5 | Low | 49.3 | Very low | 131 Ų | 131 | 141.8 Ų | 141.8 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | | | trans | -132.5 | 97.7 | 163.7 | -23.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 233 | K | 48.8 | Very low | 49.2 | Very low | 155 Ų | 155 | 141.6 Ų | 141.6 | 67% | 0.674 | 74% | 0.739 | S | S | * | * | | | trans | -77.8 | 128.5 | 160.5 | -60.1 | 171.5 | 177.9 | 74 | 0 | 107.6 | E231 | E231-K233 IonicContact OE1-NZ 2.69Å; E231-K233 PolarHBondContact OE1-NZ 2.87Å; E231-K233 IonicContact OE2-NZ 2.83Å; E231-K233 PolarHBondContact OE2-NZ 3.35Å |
| 234 | D | 61.5 | Low | 48.1 | Very low | 159 Ų | 159 | 144.8 Ų | 144.8 | 85% | 0.85 | 75% | 0.746 | S | S | * | * | | | trans | -132.2 | 148.3 | 154.1 | -163.8 | 8.6 | 0 | 0 | 0 | 109.6 | | |
| 235 | S | 45 | Very low | 47.9 | Very low | 107 Ų | 107 | 146.6 Ų | 146.6 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | | | trans | -153.6 | 93.9 | -164 | 60.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 236 | G | 49 | Very low | 47.1 | Very low | 74 Ų | 74 | 145.1 Ų | 145.1 | 76% | 0.763 | 74% | 0.739 | S | S | * | * | | | trans | -138.1 | 115.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 237 | K | 41.8 | Very low | 46.4 | Very low | 168 Ų | 168 | 145.1 Ų | 145.1 | 73% | 0.73 | 74% | 0.737 | S | S | * | * | | | cis | 68.6 | 84.7 | 32.8 | -164.5 | -153.4 | 170.5 | -70.6 | 0 | 113.8 | | |
| 238 | D | 46.9 | Very low | 45.9 | Very low | 109 Ų | 109 | 144 Ų | 144 | 58% | 0.583 | 74% | 0.739 | S | S | * | * | | | | -167.4 | 135.3 | 117.7 | -96.8 | -15.6 | 0 | 0 | 0 | 109.4 | | |
| 239 | E | 44.7 | Very low | 44.8 | Very low | 145 Ų | 145 | 143.1 Ų | 143.1 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | | | | 61 | 134 | 90.1 | -64.8 | -156.3 | 130.5 | 0 | 0 | 114.1 | | |
| 240 | Q | 45.5 | Very low | 44.3 | Very low | 144 Ų | 144 | 145.3 Ų | 145.3 | 67% | 0.673 | 74% | 0.743 | S | S | * | * | | | cis | -150.8 | 134 | -3.6 | -106.5 | 168.5 | 30.8 | 0 | 0 | 106.6 | | |
| 241 | K | 40.7 | Very low | 42.9 | Very low | 187 Ų | 187 | 141.4 Ų | 141.4 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | | | | 47.8 | 103.6 | 92.7 | -173.7 | -174.4 | -176.7 | 176.5 | 0 | 114.6 | | |
| 242 | S | 50.3 | Low | 42.6 | Very low | 101 Ų | 101 | 140.5 Ų | 140.5 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | | | | -178.6 | 132.9 | 125.7 | -81.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 243 | Q | 40.2 | Very low | 41.2 | Very low | 173 Ų | 173 | 143.5 Ų | 143.5 | 81% | 0.808 | 75% | 0.75 | S | S | * | * | | | trans | 64.7 | 115.3 | 149.5 | -64.6 | 170.4 | 3.3 | 0 | 0 | 118.3 | | |
| 244 | E | 33 | Very low | 40.7 | Very low | 160 Ų | 160 | 144.8 Ų | 144.8 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | | | cis | 74.4 | 91.8 | 35.4 | -159.8 | -171.2 | 169.2 | 0 | 0 | 113.3 | | |
| 245 | K | 42.3 | Very low | 39.6 | Very low | 200 Ų | 200 | 146.1 Ų | 146.1 | 87% | 0.87 | 76% | 0.759 | S | S | * | * | | | trans | -177.1 | 91 | 145 | -101.7 | 158.9 | -173.7 | 178 | 0 | 107.6 | | |
| 246 | E | 35.1 | Very low | 39.2 | Very low | 124 Ų | 124 | 148.2 Ų | 148.2 | 58% | 0.579 | 76% | 0.757 | S | S | * | * | | | | 72.9 | 100.5 | 57.6 | -165 | -167.1 | -177.7 | 0 | 0 | 113.4 | | |
| 247 | K | 35.4 | Very low | 38.6 | Very low | 171 Ų | 171 | 151.2 Ų | 151.2 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | | | trans | 60.9 | 168.1 | 158.3 | -57.5 | 164.2 | -167.7 | 159.5 | 0 | 114.4 | | |
| 248 | V | 37.6 | Very low | 38.4 | Very low | 114 Ų | 114 | 147.5 Ų | 147.5 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | | | cis | -127.9 | 135.8 | 5.5 | 174.3 | 0 | 0 | 0 | 0 | 105.7 | | |
| 249 | N | 33.5 | Very low | 38 | Very low | 148 Ų | 148 | 151.9 Ų | 151.9 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | | | cis | 74.7 | 65.5 | 30.6 | -163.4 | 81 | 0 | 0 | 0 | 115.6 | | |
| 250 | E | 34.4 | Very low | 37.8 | Very low | 185 Ų | 185 | 154 Ų | 154 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | | | trans | -139.6 | 150.3 | 164.1 | -132.5 | 124.8 | -120.6 | 0 | 0 | 111.5 | | |
| 251 | G | 30.5 | Very low | 37.7 | Very low | 67 Ų | 67 | 152.4 Ų | 152.4 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | | | trans | -110.4 | -145.1 | -165.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 252 | P | 40 | Very low | 37.5 | Very low | 129 Ų | 129 | 148.3 Ų | 148.3 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | | | trans | -84.9 | 151.6 | -165.2 | 34.3 | -36.2 | 0 | 0 | 0 | 113.7 | | |
| 253 | Q | 29.8 | Very low | 36.8 | Very low | 194 Ų | 194 | 149.7 Ų | 149.7 | 91% | 0.907 | 79% | 0.787 | S | S | * | * | | | trans | -131 | 146.7 | 148.3 | -79.6 | -162.1 | -18.4 | 0 | 0 | 111.3 | | |
| 254 | Q | 38.2 | Very low | 37 | Very low | 181 Ų | 181 | 150.9 Ų | 150.9 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | | | trans | -94.8 | 144 | 164.6 | -59 | 166 | -98.1 | 0 | 0 | 108.2 | | |
| 255 | E | 38.6 | Very low | 37.2 | Very low | 188 Ų | 188 | 151.3 Ų | 151.3 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | | | trans | -115.9 | 123 | 138.7 | -67 | -173.2 | 118.3 | 0 | 0 | 104.5 | | |
| 256 | E | 35.3 | Very low | 37.2 | Very low | 151 Ų | 151 | 150.8 Ų | 150.8 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | | | | 54 | 100.5 | 72 | -63.2 | -119.2 | 87.8 | 0 | 0 | 109.9 | | |
| 257 | T | 37.2 | Very low | 37.1 | Very low | 136 Ų | 136 | 153.1 Ų | 153.1 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | | | | -157.4 | 139.8 | 79.5 | 28.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 258 | S | 37.2 | Very low | 37.2 | Very low | 90 Ų | 90 | 153.1 Ų | 153.1 | 63% | 0.629 | 81% | 0.814 | S | S | * | * | | | cis | 71.1 | 87.2 | 37.7 | -61.3 | 0 | 0 | 0 | 0 | 114.7 | | |
| 259 | E | 39.4 | Very low | 37.1 | Very low | 202 Ų | 202 | 150.5 Ų | 150.5 | 94% | 0.944 | 81% | 0.81 | S | S | * | * | | | trans | -152.2 | 156.3 | 137.1 | -125.2 | 179.3 | 170 | 0 | 0 | 112.7 | | |
| 260 | K | 39.2 | Very low | 37.4 | Very low | 190 Ų | 190 | 151 Ų | 151 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | | | trans | -161.5 | -168 | -166.7 | -155.7 | -161.9 | 176.4 | 176.7 | 0 | 108.4 | | |
| 261 | P | 44.1 | Very low | 37.7 | Very low | 109 Ų | 109 | 150.2 Ų | 150.2 | 71% | 0.708 | 80% | 0.801 | S | S | * | * | | | | -86.5 | 178.8 | -87.9 | 37.1 | -25.6 | 0 | 0 | 0 | 114.1 | | |
| 262 | A | 37.3 | Very low | 38.2 | Very low | 101 Ų | 101 | 155.1 Ų | 155.1 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | | | trans | -141.8 | 145.2 | 149.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 263 | V | 35.6 | Very low | 38.7 | Very low | 130 Ų | 130 | 153.5 Ų | 153.5 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | | | trans | -130.4 | 135.8 | 172 | 170.4 | 0 | 0 | 0 | 0 | 106.6 | | |
| 264 | E | 44.4 | Very low | 39.3 | Very low | 199 Ų | 199 | 149.9 Ų | 149.9 | 93% | 0.93 | 79% | 0.787 | S | S | * | * | | | trans | -134.7 | 147.8 | 161.1 | -71.5 | -166.5 | 130.2 | 0 | 0 | 109.7 | | |
| 265 | E | 36.7 | Very low | 39.6 | Very low | 169 Ų | 169 | 148.9 Ų | 148.9 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | | | trans | -105.6 | 150.3 | 178.7 | -59.4 | 173 | 84.2 | 0 | 0 | 110.4 | | |
| 266 | E | 42.6 | Very low | 39.9 | Very low | 188 Ų | 188 | 146.3 Ų | 146.3 | 88% | 0.879 | 77% | 0.768 | S | S | * | * | | | trans | 177.6 | 113.3 | 145.9 | -101.5 | 173.3 | -177.8 | 0 | 0 | 106 | | |
| 267 | Q | 33.2 | Very low | 40.3 | Very low | 173 Ų | 173 | 147.6 Ų | 147.6 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | | | | 76.8 | 136 | 62.8 | -70.8 | -156 | 3 | 0 | 0 | 115.9 | | |
| 268 | D | 37.2 | Very low | 40.7 | Very low | 172 Ų | 172 | 150 Ų | 150 | 92% | 0.92 | 78% | 0.775 | S | S | * | * | | | trans | 58.1 | 151.1 | 178.6 | -92.2 | -19.9 | 0 | 0 | 0 | 118.6 | | |
| 269 | G | 34 | Very low | 40.9 | Very low | 58 Ų | 58 | 150.9 Ų | 150.9 | 60% | 0.598 | 78% | 0.782 | S | S | * | * | | | cis | 171.5 | 152.9 | -6 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 270 | E | 39.9 | Very low | 41.1 | Very low | 158 Ų | 158 | 148.9 Ų | 148.9 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | | | trans | 47.8 | 114.5 | 165 | -60.7 | -168.3 | 95.8 | 0 | 0 | 121.4 | | |
| 271 | K | 41.8 | Very low | 41.4 | Very low | 170 Ų | 170 | 147 Ų | 147 | 74% | 0.739 | 77% | 0.765 | S | S | * | * | | | | 168.2 | 134.4 | 92 | -107.5 | 133.4 | -172.1 | 141.1 | 0 | 116.2 | | |
| 272 | E | 40.5 | Very low | 41.4 | Very low | 169 Ų | 169 | 149.5 Ų | 149.5 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | | | trans | -86.5 | -167.6 | 159.3 | -126.1 | -158.8 | -163.4 | 0 | 0 | 109.7 | | |
| 273 | P | 50.6 | Low | 41.6 | Very low | 96 Ų | 96 | 148 Ų | 148 | 62% | 0.623 | 77% | 0.766 | S | S | * | * | | | cis | -146.8 | 174.6 | 17.3 | 39.1 | -16.1 | 0 | 0 | 0 | 120 | | |
| 274 | T | 41.5 | Very low | 41.9 | Very low | 117 Ų | 117 | 148.6 Ų | 148.6 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | | | trans | 73.8 | 152.1 | 139.6 | 48.8 | 0 | 0 | 0 | 0 | 126.2 | | |
| 275 | K | 44.8 | Very low | 41.9 | Very low | 161 Ų | 161 | 146.5 Ų | 146.5 | 70% | 0.7 | 76% | 0.759 | S | S | * | * | | | trans | 99.1 | 137.1 | 159.1 | -63.9 | -177.1 | 161.7 | -75.1 | 0 | 117.2 | | |
| 276 | E | 44.9 | Very low | 42.3 | Very low | 134 Ų | 134 | 144.4 Ų | 144.4 | 63% | 0.626 | 76% | 0.758 | S | S | * | * | | | cis | -158.8 | 143.1 | -15 | -113.9 | 153.7 | -179.5 | 0 | 0 | 106.8 | | |
| 277 | E | 44.3 | Very low | 42.7 | Very low | 177 Ų | 177 | 144.3 Ų | 144.3 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | | | | 44.9 | 143.9 | 103.3 | -89.8 | -177.4 | 127.1 | 0 | 0 | 116.9 | | |
| 278 | E | 45.2 | Very low | 43.4 | Very low | 186 Ų | 186 | 143.9 Ų | 143.9 | 87% | 0.869 | 76% | 0.761 | S | S | * | * | | | cis | -134.8 | 180 | 25.9 | -69.9 | -179.4 | 90 | 0 | 0 | 114.8 | | |
| 279 | S | 41 | Very low | 43.7 | Very low | 110 Ų | 110 | 140.2 Ų | 140.2 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | | | trans | -146.1 | 120 | 175.5 | 59.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 280 | E | 44.5 | Very low | 44.6 | Very low | 160 Ų | 160 | 144 Ų | 144 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | | | trans | -162.2 | 160.2 | 171.5 | -87.2 | -136.3 | 122.3 | 0 | 0 | 111.3 | | |
| 281 | K | 46.3 | Very low | 45.2 | Very low | 151 Ų | 151 | 142.5 Ų | 142.5 | 66% | 0.657 | 77% | 0.768 | S | S | * | * | | | cis | -174.1 | 158.4 | -36.4 | -146.3 | -177.3 | -101.4 | 151.8 | 0 | 109 | | |
| 282 | L | 44.1 | Very low | 46 | Very low | 160 Ų | 160 | 140.1 Ų | 140.1 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | | | trans | 69.2 | 149.5 | 162 | -56 | 162.9 | 0 | 0 | 0 | 117.8 | | |
| 283 | G | 40.8 | Very low | 46.5 | Very low | 70 Ų | 70 | 140 Ų | 140 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | | | trans | -172.4 | -49.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 284 | N | 42.6 | Very low | 46.6 | Very low | 142 Ų | 142 | 141.1 Ų | 141.1 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | | | trans | 62.6 | 118.2 | 177 | -62.7 | -0.9 | 0 | 0 | 0 | 120.1 | | |
| 285 | N | 43 | Very low | 46.9 | Very low | 155 Ų | 155 | 144.1 Ų | 144.1 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | | | trans | 36 | 127.9 | 133.9 | -53.6 | -1.3 | 0 | 0 | 0 | 122.6 | | |
| 286 | V | 46.3 | Very low | 47.2 | Very low | 126 Ų | 126 | 144.6 Ų | 144.6 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | | | | -167 | 112.6 | 120.6 | 144.3 | 0 | 0 | 0 | 0 | 104.9 | | |
| 287 | E | 49.9 | Very low | 47.7 | Very low | 186 Ų | 186 | 143.7 Ų | 143.7 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | | | | 51.9 | 87.7 | 90 | -81.5 | -168 | 142.2 | 0 | 0 | 114.9 | | |
| 288 | D | 48.3 | Very low | 48.1 | Very low | 164 Ų | 164 | 141 Ų | 141 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | | | trans | -145.3 | 155.4 | 135.3 | -152.2 | -14.1 | 0 | 0 | 0 | 109.2 | | |
| 289 | A | 44.3 | Very low | 48.4 | Very low | 95 Ų | 95 | 139.5 Ų | 139.5 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | trans | -122.7 | 91.2 | -167.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 290 | T | 52.3 | Low | 49.2 | Very low | 136 Ų | 136 | 142.9 Ų | 142.9 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | | | trans | -110.3 | 126 | 169.1 | 23.4 | 0 | 0 | 0 | 0 | 111 | | |
| 291 | T | 51.6 | Low | 49.7 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | trans | -54.4 | 137.3 | 173.2 | -48.4 | 0 | 0 | 0 | 0 | 110.7 | E293 | T291-E293 PolarHBondContact O-N 3.38Š|
| 292 | P | 58.8 | Low | 50.5 | Low | 119 Ų | 119 | 137.3 Ų | 137.3 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | trans | -66 | 105.4 | 164.2 | 28.3 | -32.5 | 0 | 0 | 0 | 108.7 | | |
| 293 | E | 51.6 | Low | 51.6 | Low | 167 Ų | 167 | 134.7 Ų | 134.7 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | | | trans | -55.2 | 137.8 | 164.1 | -168.3 | 166.9 | -155.1 | 0 | 0 | 108.5 | T291 Q295 | T291-E293 PolarHBondContact O-N 3.38Å; E293-Q295 PolarHBondContact O-N 3.28Å |
| 294 | P | 51.8 | Low | 53 | Low | 120 Ų | 120 | 139.7 Ų | 139.7 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | | | trans | -63.7 | 107.7 | -176.9 | 25.8 | -34 | 0 | 0 | 0 | 109.4 | E296 | P294-E296 PolarHBondContact O-N 3.14Š|
| 295 | Q | 48.9 | Very low | 54.2 | Low | 180 Ų | 180 | 135.7 Ų | 135.7 | 84% | 0.841 | 75% | 0.75 | S | S | * | * | | | trans | -63.4 | 121.5 | 175.7 | -62.3 | -170.6 | -83.1 | 0 | 0 | 108.7 | E293 | E293-Q295 PolarHBondContact O-N 3.28Š|
| 296 | E | 51.4 | Low | 55.5 | Low | 170 Ų | 170 | 134.6 Ų | 134.6 | 79% | 0.794 | 74% | 0.743 | S | S | * | * | | | trans | -54.2 | 142.9 | 159.8 | -63.9 | -176.6 | 130.1 | 0 | 0 | 108.5 | P294 T298 | P294-E296 PolarHBondContact O-N 3.14Å; E296-T298 PolarHBondContact O-N 3.25Å |
| 297 | P | 55.1 | Low | 56.7 | Low | 115 Ų | 115 | 134.6 Ų | 134.6 | 75% | 0.747 | 74% | 0.738 | S | S | * | * | | | trans | -67.6 | 97.5 | 177.9 | 28.2 | -33.6 | 0 | 0 | 0 | 109.4 | D299 | P297-D299 PolarHBondContact O-N 3.18Å; P297-D299 VanDerWaalsContact O-N 3.09Å |
| 298 | T | 51.9 | Low | 57.7 | Low | 120 Ų | 120 | 130.2 Ų | 130.2 | 74% | 0.736 | 72% | 0.72 | S | S | * | * | | | trans | -60.2 | 114 | 179.5 | -47.5 | 0 | 0 | 0 | 0 | 110.5 | E296 E300 | E296-T298 PolarHBondContact O-N 3.25Å; T298-E300 PolarHBondContact O-N 3.43Å |
| 299 | D | 52.5 | Low | 58.7 | Low | 156 Ų | 156 | 128 Ų | 128 | 83% | 0.834 | 70% | 0.704 | S | S | * | * | | | trans | -68.6 | 63.5 | -174.4 | -71.9 | -59.2 | 0 | 0 | 0 | 114.6 | P297 | P297-D299 PolarHBondContact O-N 3.18Å; P297-D299 VanDerWaalsContact O-N 3.09Å |
| 300 | E | 57 | Low | 60.2 | Low | 180 Ų | 180 | 129.4 Ų | 129.4 | 84% | 0.841 | 69% | 0.693 | S | S | * | * | | | trans | -94.9 | 4.2 | 166 | -69.1 | -138.1 | 138.3 | 0 | 0 | 113.4 | T298 G302 | T298-E300 PolarHBondContact O-N 3.43Å; E300-G302 PolarHBondContact O-N 2.95Å |
| 301 | E | 55.3 | Low | 61.4 | Low | 157 Ų | 157 | 129.6 Ų | 129.6 | 73% | 0.734 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -72.1 | 66.7 | 164.3 | -82.9 | -138.4 | 115 | 0 | 0 | 111 | N305 | E301-N305 PolarHBondContact OE1-ND2 2.95Å; E301-N305 PolarHBondContact OE2-ND2 3.36Å; E301-N305 VanDerWaalsContact OE2-ND2 3.07Å |
| 302 | G | 62 | Low | 62.6 | Low | 37 Ų | 37 | 130.7 Ų | 130.7 | 38% | 0.381 | 68% | 0.676 | S | S | . | * | | | trans | -67.5 | -155.5 | -167.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | E300 K304 N305 | E300-G302 PolarHBondContact O-N 2.95Å; G302-K304 PolarHBondContact O-N 3.04Å; G302-N305 PolarHBondContact O-N 3.14Å |
| 303 | P | 69 | Low | 63.5 | Low | 106 Ų | 106 | 129.7 Ų | 129.7 | 69% | 0.688 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -60.4 | -9.2 | -155.5 | 21.4 | -34.2 | 0 | 0 | 0 | 117 | L307 | P303-L307 WeakPolarHBondContact O-CB 3.43Å; P303-L307 PolarHBondContact O-N 3.37Å; P303-L307 VanDerWaalsContact O-N 3.16Å |
| 304 | K | 70.1 | Confident | 64.5 | Low | 174 Ų | 174 | 127.6 Ų | 127.6 | 76% | 0.757 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -67.2 | -40.7 | 170.7 | -64.5 | -178.7 | -179.1 | 178.3 | 0 | 112.8 | G302 L307 L308 | G302-K304 PolarHBondContact O-N 3.04Å; K304-L307 WeakPolarHBondContact O-CB 3.38Å; K304-L307 PolarHBondContact O-N 2.95Å; K304-L308 PolarHBondContact O-N 2.97Å |
| 305 | N | 66.6 | Low | 66.1 | Low | 58 Ų | 58 | 127.9 Ų | 127.9 | 31% | 0.31 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -74 | -35.6 | 179.1 | -88 | -40.3 | 0 | 0 | 0 | 112.3 | E301 G302 L307 L308 H309 | E301-N305 PolarHBondContact OE1-ND2 2.95Å; E301-N305 PolarHBondContact OE2-ND2 3.36Å; E301-N305 VanDerWaalsContact OE2-ND2 3.07Å; G302-N305 PolarHBondContact O-N 3.14Å; N305-L307 VanDerWaalsContact C-N 3.27Å; N305-L307 PolarHBondContact O-N 3.35Å; N305-L308 PolarHBondContact O-N 3.32Å; N305-L308 VanDerWaalsContact O-N 3.16Å; N305-H309 WeakPolarHBondContact O-CB 3.42Å; N305-H309 PolarHBondContact O-N 3.29Å |
| 306 | L | 69.7 | Low | 67.8 | Low | 133 Ų | 133 | 123.1 Ų | 123.1 | 70% | 0.696 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -59.9 | -39 | 169.7 | -167.9 | 67.4 | 0 | 0 | 0 | 111.7 | K310 | L306-K310 WeakPolarHBondContact O-CB 3.45Å; L306-K310 PolarHBondContact O-N 3.38Å |
| 307 | L | 72.1 | Confident | 69.6 | Low | 125 Ų | 125 | 122 Ų | 122 | 65% | 0.654 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66.4 | -39.7 | 172.6 | -104.2 | 158.4 | 0 | 0 | 0 | 113.2 | P303 K304 N305 K311 | P303-L307 WeakPolarHBondContact O-CB 3.43Å; P303-L307 PolarHBondContact O-N 3.37Å; P303-L307 VanDerWaalsContact O-N 3.16Å; K304-L307 WeakPolarHBondContact O-CB 3.38Å; K304-L307 PolarHBondContact O-N 2.95Å; N305-L307 VanDerWaalsContact C-N 3.27Å; N305-L307 PolarHBondContact O-N 3.35Å; L307-K311 WeakPolarHBondContact O-CB 3.44Å; L307-K311 PolarHBondContact O-N 3.23Å |
| 308 | L | 72 | Confident | 71.1 | Confident | 95 Ų | 95 | 123.9 Ų | 123.9 | 50% | 0.497 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66 | -41.3 | 174.9 | -79.6 | 161.9 | 0 | 0 | 0 | 112 | K304 N305 K311 K312 | K304-L308 PolarHBondContact O-N 2.97Å; N305-L308 PolarHBondContact O-N 3.32Å; N305-L308 VanDerWaalsContact O-N 3.16Å; L308-K311 PolarHBondContact O-N 3.41Å; L308-K312 WeakPolarHBondContact O-CG 3.4Å; L308-K312 PolarHBondContact O-N 3.39Å |
| 309 | H | 68.8 | Low | 73 | Confident | 117 Ų | 117 | 126.5 Ų | 126.5 | 54% | 0.542 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -61.6 | -49.5 | 175.1 | -144.2 | -86.3 | 0 | 0 | 0 | 110.4 | N305 K311 K312 E313 | N305-H309 WeakPolarHBondContact O-CB 3.42Å; N305-H309 PolarHBondContact O-N 3.29Å; H309-K311 VanDerWaalsContact C-N 3.33Å; H309-K311 PolarHBondContact O-N 3.1Å; H309-K312 WeakPolarHBondContact O-CA 3.4Å; H309-K312 WeakPolarHBondContact O-CB 3.35Å; H309-K312 PolarHBondContact O-N 2.93Å; H309-E313 IonicContact CE1-OE1 2.67Å; H309-E313 IonicContact CG-OE1 2.69Å; H309-E313 IonicContact ND1-OE1 2.74Å; H309-E313 PolarHBondContact ND1-OE1 3.22Å; H309-E313 WeakPolarHBondContact O-CG 3.37Å; H309-E313 PolarHBondContact O-N 3.2Å |
| 310 | K | 75.1 | Confident | 74.8 | Confident | 125 Ų | 125 | 125.5 Ų | 125.5 | 54% | 0.543 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.4 | -33.5 | 177.4 | -155.7 | 165.8 | -168.1 | 168.9 | 0 | 113.5 | L306 M314 | L306-K310 WeakPolarHBondContact O-CB 3.45Å; L306-K310 PolarHBondContact O-N 3.38Å; K310-M314 WeakPolarHBondContact O-CG 3.49Å; K310-M314 PolarHBondContact O-N 3.43Å |
| 311 | K | 77.6 | Confident | 76.5 | Confident | 139 Ų | 139 | 123.5 Ų | 123.5 | 60% | 0.604 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -71.1 | -32.8 | 172.7 | -166.8 | 172 | -177.5 | 179.3 | 0 | 112.2 | L307 L308 H309 K315 | L307-K311 WeakPolarHBondContact O-CB 3.44Å; L307-K311 PolarHBondContact O-N 3.23Å; L308-K311 PolarHBondContact O-N 3.41Å; H309-K311 VanDerWaalsContact C-N 3.33Å; H309-K311 PolarHBondContact O-N 3.1Å; K311-K315 PolarHBondContact O-N 3.13Å |
| 312 | K | 77.7 | Confident | 78.4 | Confident | 152 Ų | 152 | 118.9 Ų | 118.9 | 66% | 0.661 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -68.5 | -45.8 | 171 | -73.9 | 176.4 | 178.5 | -179.7 | 0 | 111.7 | L308 H309 M314 K315 S316 | L308-K312 WeakPolarHBondContact O-CG 3.4Å; L308-K312 PolarHBondContact O-N 3.39Å; H309-K312 WeakPolarHBondContact O-CA 3.4Å; H309-K312 WeakPolarHBondContact O-CB 3.35Å; H309-K312 PolarHBondContact O-N 2.93Å; K312-M314 VanDerWaalsContact C-N 3.35Å; K312-M314 PolarHBondContact O-N 3.16Å; K312-K315 PolarHBondContact O-N 3.06Å; K312-K315 VanDerWaalsContact O-N 3.14Å; K312-S316 PolarHBondContact O-N 2.85Å |
| 313 | E | 77.1 | Confident | 79.9 | Confident | 97 Ų | 97 | 121.4 Ų | 121.4 | 45% | 0.453 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -56.1 | -46.5 | 175 | -72.2 | 159.1 | -156.6 | 0 | 0 | 111.7 | H309 K315 S316 Y317 | H309-E313 IonicContact CE1-OE1 2.67Å; H309-E313 IonicContact CG-OE1 2.69Å; H309-E313 IonicContact ND1-OE1 2.74Å; H309-E313 PolarHBondContact ND1-OE1 3.22Å; H309-E313 WeakPolarHBondContact O-CG 3.37Å; H309-E313 PolarHBondContact O-N 3.2Å; E313-K315 VanDerWaalsContact C-N 3.33Å; E313-K315 PolarHBondContact O-N 2.96Å; E313-S316 WeakPolarHBondContact O-CB 3.43Å; E313-S316 PolarHBondContact O-N 2.83Å; E313-Y317 PolarHBondContact O-N 3.14Å |
| 314 | M | 73.4 | Confident | 81.1 | Confident | 123 Ų | 123 | 122.3 Ų | 122.3 | 61% | 0.606 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.5 | -33.5 | 176.9 | -75.4 | -173.9 | 175.1 | 0 | 0 | 113.6 | K310 K312 R318 | K310-M314 WeakPolarHBondContact O-CG 3.49Å; K310-M314 PolarHBondContact O-N 3.43Å; K312-M314 VanDerWaalsContact C-N 3.35Å; K312-M314 PolarHBondContact O-N 3.16Å; M314-R318 PolarHBondContact O-N 3.43Å |
| 315 | K | 84 | Confident | 82.3 | Confident | 127 Ų | 127 | 119.5 Ų | 119.5 | 55% | 0.552 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.6 | -48.7 | 170.5 | -74.9 | -163.3 | 174.6 | -161.5 | 0 | 110.8 | K311 K312 E313 Y317 R318 Y319 | K311-K315 PolarHBondContact O-N 3.13Å; K312-K315 PolarHBondContact O-N 3.06Å; K312-K315 VanDerWaalsContact O-N 3.14Å; E313-K315 VanDerWaalsContact C-N 3.33Å; E313-K315 PolarHBondContact O-N 2.96Å; K315-Y317 VanDerWaalsContact C-N 3.32Å; K315-Y317 PolarHBondContact O-N 3.24Å; K315-R318 PolarHBondContact O-N 3.21Å; K315-R318 VanDerWaalsContact O-N 3.13Å; K315-Y319 WeakPolarHBondContact O-CD2 3.41Å; K315-Y319 PolarHBondContact O-N 2.59Å; K315-Y319 VanDerWaalsContact O-N 3.16Å |
| 316 | S | 85.5 | Confident | 83.7 | Confident | 79 Ų | 79 | 120.8 Ų | 120.8 | 55% | 0.552 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -56 | -44.1 | 177.9 | -174.9 | 0 | 0 | 0 | 0 | 112.2 | K312 E313 R318 Y319 W320 | K312-S316 PolarHBondContact O-N 2.85Å; E313-S316 WeakPolarHBondContact O-CB 3.43Å; E313-S316 PolarHBondContact O-N 2.83Å; S316-R318 PolarHBondContact O-N 3.15Å; S316-Y319 PolarHBondContact O-N 3.43Å; S316-W320 WeakPolarHBondContact O-CB 3.31Å; S316-W320 PolarHBondContact O-N 3.18Å |
| 317 | Y | 88.3 | Confident | 84.8 | Confident | 146 Ų | 146 | 117.5 Ų | 117.5 | 57% | 0.573 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.1 | -34.8 | 177.5 | -172.6 | -110 | 0 | 0 | 0 | 113.6 | E313 K315 W320 K321 | E313-Y317 PolarHBondContact O-N 3.14Å; K315-Y317 VanDerWaalsContact C-N 3.32Å; K315-Y317 PolarHBondContact O-N 3.24Å; Y317-W320 HydrophobicContact CD2-CE3 4.34Å; Y317-W320 HydrophobicContact CE2-CE3 4.17Å; Y317-W320 HydrophobicContact CE2-CZ3 4.36Å; Y317-K321 VanDerWaalsContact O-CB 3.31Å; Y317-K321 WeakPolarHBondContact O-CB 3.49Å; Y317-K321 PolarHBondContact O-N 3.1Å |
| 318 | R | 88.2 | Confident | 85.8 | Confident | 156 Ų | 156 | 117.3 Ų | 117.3 | 59% | 0.589 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.6 | -46 | 172 | -75.4 | -173.5 | -178.3 | -167.2 | 2.1 | 111.1 | M314 K315 S316 A322 | M314-R318 PolarHBondContact O-N 3.43Å; K315-R318 PolarHBondContact O-N 3.21Å; K315-R318 VanDerWaalsContact O-N 3.13Å; S316-R318 PolarHBondContact O-N 3.15Å; R318-A322 WeakPolarHBondContact O-CB 3.4Å; R318-A322 PolarHBondContact O-N 3.35Å |
| 319 | Y | 90 | Very high | 86.9 | Confident | 175 Ų | 175 | 117.6 Ų | 117.6 | 69% | 0.686 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.2 | -44.3 | 176.2 | -70.1 | -68.8 | 0 | 0 | 0 | 112.6 | K315 S316 K321 A322 F323 | K315-Y319 WeakPolarHBondContact O-CD2 3.41Å; K315-Y319 PolarHBondContact O-N 2.59Å; K315-Y319 VanDerWaalsContact O-N 3.16Å; S316-Y319 PolarHBondContact O-N 3.43Å; Y319-K321 VanDerWaalsContact C-N 3.35Å; Y319-K321 PolarHBondContact O-N 3.01Å; Y319-A322 PolarHBondContact O-N 2.56Å; Y319-F323 WeakPolarHBondContact O-CB 3.48Å; Y319-F323 PolarHBondContact O-N 2.94Å |
| 320 | W | 90.7 | Very high | 88 | Confident | 135 Ų | 135 | 115 Ų | 115 | 51% | 0.511 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 178.6 | -169.6 | 83.7 | 0 | 0 | 0 | 111.9 | S316 Y317 F323 Y324 | S316-W320 WeakPolarHBondContact O-CB 3.31Å; S316-W320 PolarHBondContact O-N 3.18Å; Y317-W320 HydrophobicContact CD2-CE3 4.34Å; Y317-W320 HydrophobicContact CE2-CE3 4.17Å; Y317-W320 HydrophobicContact CE2-CZ3 4.36Å; W320-F323 PolarHBondContact O-N 3.47Å; W320-Y324 AromaticContact CD2-CD2 3.95Å; W320-Y324 HydrophobicContact CD2-CD2 3.95Å; W320-Y324 HydrophobicContact CD2-CE2 4Å; W320-Y324 AromaticContact CE2-CD2 3.77Å; W320-Y324 AromaticContact CE2-CE2 3.32Å; W320-Y324 HydrophobicContact CE3-CD2 4.28Å; W320-Y324 HydrophobicContact CG-CD2 4.46Å; W320-Y324 HydrophobicContact CH2-CD2 4.3Å; W320-Y324 AromaticContact CH2-CE2 3.91Å; W320-Y324 HydrophobicContact CH2-CE2 3.91Å; W320-Y324 AromaticContact CZ2-CD2 3.98Å; W320-Y324 HydrophobicContact CZ2-CD2 3.98Å; W320-Y324 AromaticContact CZ2-CE2 3.29Å; W320-Y324 HydrophobicContact CZ2-CE2 3.29Å; W320-Y324 AromaticContact CZ2-CZ 3.61Å; W320-Y324 HydrophobicContact CZ3-CD2 4.44Å; W320-Y324 HydrophobicContact CZ3-CE2 4.48Å; W320-Y324 AromaticContact NE1-CE2 3.6Å; W320-Y324 WeakPolarHBondContact O-CD2 3.34Å; W320-Y324 PolarHBondContact O-N 2.9Å |
| 321 | K | 93.9 | Very high | 88.8 | Confident | 138 Ų | 138 | 114.9 Ų | 114.9 | 60% | 0.6 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.8 | -39 | 174.7 | -173.9 | 174 | -179.6 | 178.7 | 0 | 112.7 | Y317 Y319 L325 | Y317-K321 VanDerWaalsContact O-CB 3.31Å; Y317-K321 WeakPolarHBondContact O-CB 3.49Å; Y317-K321 PolarHBondContact O-N 3.1Å; Y319-K321 VanDerWaalsContact C-N 3.35Å; Y319-K321 PolarHBondContact O-N 3.01Å; K321-L325 PolarHBondContact O-N 3.4Å; K321-L325 VanDerWaalsContact O-N 3.1Å |
| 322 | A | 93.7 | Very high | 89.4 | Confident | 59 Ų | 59 | 112.7 Ų | 112.7 | 49% | 0.488 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.8 | -40.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R318 Y319 L325 F326 | R318-A322 WeakPolarHBondContact O-CB 3.4Å; R318-A322 PolarHBondContact O-N 3.35Å; Y319-A322 PolarHBondContact O-N 2.56Å; A322-L325 PolarHBondContact O-N 3.47Å; A322-F326 WeakPolarHBondContact O-CB 3.32Å; A322-F326 PolarHBondContact O-N 3.3Å |
| 323 | F | 93.7 | Very high | 89.9 | Confident | 91 Ų | 91 | 107.8 Ų | 107.8 | 40% | 0.399 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62 | -46.5 | 174.9 | 179.7 | -97.7 | 0 | 0 | 0 | 111.8 | Y319 W320 L325 F326 I327 | Y319-F323 WeakPolarHBondContact O-CB 3.48Å; Y319-F323 PolarHBondContact O-N 2.94Å; W320-F323 PolarHBondContact O-N 3.47Å; F323-L325 VanDerWaalsContact C-N 3.32Å; F323-L325 PolarHBondContact O-N 2.9Å; F323-F326 WeakPolarHBondContact O-CB 3.49Å; F323-F326 PolarHBondContact O-N 3.17Å; F323-I327 HydrophobicContact CD1-CG1 4.22Å; F323-I327 HydrophobicContact CE1-CD1 4.4Å; F323-I327 HydrophobicContact CE1-CG1 3.85Å; F323-I327 HydrophobicContact CE2-CD1 4.31Å; F323-I327 HydrophobicContact CE2-CG1 4.37Å; F323-I327 HydrophobicContact CZ-CD1 3.98Å; F323-I327 HydrophobicContact CZ-CG1 3.93Å; F323-I327 WeakPolarHBondContact O-CG1 3.37Å; F323-I327 PolarHBondContact O-N 2.81Å |
| 324 | Y | 95.1 | Very high | 90.3 | Very high | 125 Ų | 125 | 108.8 Ų | 108.8 | 49% | 0.49 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.1 | -41.4 | 174.1 | -98.4 | -104.7 | 0 | 0 | 0 | 112.5 | W320 I327 M328 | W320-Y324 AromaticContact CD2-CD2 3.95Å; W320-Y324 HydrophobicContact CD2-CD2 3.95Å; W320-Y324 HydrophobicContact CD2-CE2 4Å; W320-Y324 AromaticContact CE2-CD2 3.77Å; W320-Y324 AromaticContact CE2-CE2 3.32Å; W320-Y324 HydrophobicContact CE3-CD2 4.28Å; W320-Y324 HydrophobicContact CG-CD2 4.46Å; W320-Y324 HydrophobicContact CH2-CD2 4.3Å; W320-Y324 AromaticContact CH2-CE2 3.91Å; W320-Y324 HydrophobicContact CH2-CE2 3.91Å; W320-Y324 AromaticContact CZ2-CD2 3.98Å; W320-Y324 HydrophobicContact CZ2-CD2 3.98Å; W320-Y324 AromaticContact CZ2-CE2 3.29Å; W320-Y324 HydrophobicContact CZ2-CE2 3.29Å; W320-Y324 AromaticContact CZ2-CZ 3.61Å; W320-Y324 HydrophobicContact CZ3-CD2 4.44Å; W320-Y324 HydrophobicContact CZ3-CE2 4.48Å; W320-Y324 AromaticContact NE1-CE2 3.6Å; W320-Y324 WeakPolarHBondContact O-CD2 3.34Å; W320-Y324 PolarHBondContact O-N 2.9Å; Y324-I327 PolarHBondContact O-N 3.25Å; Y324-M328 VanDerWaalsContact O-CG 3.32Å; Y324-M328 WeakPolarHBondContact O-CG 3.17Å; Y324-M328 PolarHBondContact O-N 2.94Å |
| 325 | L | 95.6 | Very high | 90.9 | Very high | 114 Ų | 114 | 108.9 Ų | 108.9 | 60% | 0.597 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.1 | -39.3 | 176.2 | -166.6 | 69.9 | 0 | 0 | 0 | 111.9 | K321 A322 F323 M328 I329 | K321-L325 PolarHBondContact O-N 3.4Å; K321-L325 VanDerWaalsContact O-N 3.1Å; A322-L325 PolarHBondContact O-N 3.47Å; F323-L325 VanDerWaalsContact C-N 3.32Å; F323-L325 PolarHBondContact O-N 2.9Å; L325-M328 PolarHBondContact O-N 3.46Å; L325-I329 HydrophobicContact CG-CD1 4.2Å; L325-I329 WeakPolarHBondContact O-CD1 3.41Å; L325-I329 VanDerWaalsContact O-CG1 3.27Å; L325-I329 WeakPolarHBondContact O-CG1 3.48Å; L325-I329 PolarHBondContact O-N 2.99Å |
| 326 | F | 94.5 | Very high | 90.1 | Very high | 85 Ų | 85 | 109.1 Ų | 109.1 | 37% | 0.373 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 174.8 | 176.5 | -108.7 | 0 | 0 | 0 | 112.3 | A322 F323 I329 L330 F567 | A322-F326 WeakPolarHBondContact O-CB 3.32Å; A322-F326 PolarHBondContact O-N 3.3Å; F323-F326 WeakPolarHBondContact O-CB 3.49Å; F323-F326 PolarHBondContact O-N 3.17Å; F326-I329 PolarHBondContact O-N 2.92Å; F326-L330 HydrophobicContact CD1-CD1 4.08Å; F326-L330 HydrophobicContact CE1-CD1 3.57Å; F326-L330 HydrophobicContact CE1-CG 4.35Å; F326-L330 HydrophobicContact CE2-CD1 4.4Å; F326-L330 HydrophobicContact CE2-CG 4.4Å; F326-L330 HydrophobicContact CZ-CD1 3.75Å; F326-L330 HydrophobicContact CZ-CD2 4.46Å; F326-L330 HydrophobicContact CZ-CG 4.21Å; F326-L330 WeakPolarHBondContact O-CG 3.41Å; F326-L330 PolarHBondContact O-N 3.27Å; F326-F567 HydrophobicContact CE1-CE2 4.44Å; F326-F567 HydrophobicContact CE1-CZ 4.36Å |
| 327 | I | 93.8 | Very high | 89.2 | Confident | 65 Ų | 65 | 113.6 Ų | 113.6 | 33% | 0.333 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 174.7 | -63.9 | -60.8 | 0 | 0 | 0 | 111.3 | F323 Y324 I329 L330 M331 | F323-I327 HydrophobicContact CD1-CG1 4.22Å; F323-I327 HydrophobicContact CE1-CD1 4.4Å; F323-I327 HydrophobicContact CE1-CG1 3.85Å; F323-I327 HydrophobicContact CE2-CD1 4.31Å; F323-I327 HydrophobicContact CE2-CG1 4.37Å; F323-I327 HydrophobicContact CZ-CD1 3.98Å; F323-I327 HydrophobicContact CZ-CG1 3.93Å; F323-I327 WeakPolarHBondContact O-CG1 3.37Å; F323-I327 PolarHBondContact O-N 2.81Å; Y324-I327 PolarHBondContact O-N 3.25Å; I327-I329 PolarHBondContact O-N 3.26Å; I327-L330 HydrophobicContact CD1-CD1 4.49Å; I327-L330 PolarHBondContact O-N 3.4Å; I327-M331 HydrophobicContact CG2-CG 4.46Å; I327-M331 HydrophobicContact CG2-SD 4.25Å; I327-M331 WeakPolarHBondContact O-CG 3.41Å; I327-M331 PolarHBondContact O-N 3.41Å |
| 328 | M | 93.7 | Very high | 87.9 | Confident | 121 Ų | 121 | 114.8 Ų | 114.8 | 60% | 0.596 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -60.7 | -42.6 | 174.8 | -73 | -64.9 | -59.4 | 0 | 0 | 112.3 | Y324 L325 M331 D332 | Y324-M328 VanDerWaalsContact O-CG 3.32Å; Y324-M328 WeakPolarHBondContact O-CG 3.17Å; Y324-M328 PolarHBondContact O-N 2.94Å; L325-M328 PolarHBondContact O-N 3.46Å; M328-M331 PolarHBondContact O-N 3.25Å; M328-D332 WeakPolarHBondContact O-CB 3.46Å; M328-D332 PolarHBondContact O-N 2.81Å |
| 329 | I | 94.1 | Very high | 86.6 | Confident | 101 Ų | 101 | 116.5 Ų | 116.5 | 52% | 0.518 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.3 | -38.7 | 176.4 | -69.1 | 163.1 | 0 | 0 | 0 | 111.2 | L325 F326 I327 A333 | L325-I329 HydrophobicContact CG-CD1 4.2Å; L325-I329 WeakPolarHBondContact O-CD1 3.41Å; L325-I329 VanDerWaalsContact O-CG1 3.27Å; L325-I329 WeakPolarHBondContact O-CG1 3.48Å; L325-I329 PolarHBondContact O-N 2.99Å; F326-I329 PolarHBondContact O-N 2.92Å; I327-I329 PolarHBondContact O-N 3.26Å; I329-A333 VanDerWaalsContact O-CB 3.25Å; I329-A333 WeakPolarHBondContact O-CB 3.46Å; I329-A333 PolarHBondContact O-N 3.43Å |
| 330 | L | 93.1 | Very high | 85.2 | Confident | 62 Ų | 62 | 113.1 Ų | 113.1 | 33% | 0.325 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.8 | -44.2 | 173.9 | -73.3 | 178.8 | 0 | 0 | 0 | 111.8 | F326 I327 A333 F334 | F326-L330 HydrophobicContact CD1-CD1 4.08Å; F326-L330 HydrophobicContact CE1-CD1 3.57Å; F326-L330 HydrophobicContact CE1-CG 4.35Å; F326-L330 HydrophobicContact CE2-CD1 4.4Å; F326-L330 HydrophobicContact CE2-CG 4.4Å; F326-L330 HydrophobicContact CZ-CD1 3.75Å; F326-L330 HydrophobicContact CZ-CD2 4.46Å; F326-L330 HydrophobicContact CZ-CG 4.21Å; F326-L330 WeakPolarHBondContact O-CG 3.41Å; F326-L330 PolarHBondContact O-N 3.27Å; I327-L330 HydrophobicContact CD1-CD1 4.49Å; I327-L330 PolarHBondContact O-N 3.4Å; L330-A333 PolarHBondContact O-N 3.31Å; L330-F334 WeakPolarHBondContact O-CD2 3.49Å; L330-F334 PolarHBondContact O-N 3.34Å |
| 331 | M | 90.4 | Very high | 83.7 | Confident | 123 Ų | 123 | 116.3 Ų | 116.3 | 61% | 0.606 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.7 | -46.7 | 178.6 | -73.2 | -177.2 | 69 | 0 | 0 | 111.8 | I327 M328 A333 F334 D335 | I327-M331 HydrophobicContact CG2-CG 4.46Å; I327-M331 HydrophobicContact CG2-SD 4.25Å; I327-M331 WeakPolarHBondContact O-CG 3.41Å; I327-M331 PolarHBondContact O-N 3.41Å; M328-M331 PolarHBondContact O-N 3.25Å; M331-A333 PolarHBondContact O-N 3.46Å; M331-F334 PolarHBondContact O-N 3.5Å; M331-D335 PolarHBondContact O-N 3.22Å |
| 332 | D | 91.2 | Very high | 82 | Confident | 92 Ų | 92 | 117.2 Ų | 117.2 | 49% | 0.492 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -57 | -47.7 | 173.3 | -176.1 | 71.6 | 0 | 0 | 0 | 111.1 | M328 F334 D335 H336 | M328-D332 WeakPolarHBondContact O-CB 3.46Å; M328-D332 PolarHBondContact O-N 2.81Å; D332-F334 VanDerWaalsContact C-N 3.25Å; D332-F334 PolarHBondContact O-N 2.84Å; D332-D335 PolarHBondContact O-N 3.19Å; D332-H336 PolarHBondContact O-CD2 3Å; D332-H336 PolarHBondContact O-N 3.19Å; D332-H336 IonicContact OD1-CD2 3.19Å; D332-H336 IonicContact OD1-CE1 3.63Å; D332-H336 IonicContact OD1-NE2 2.73Å; D332-H336 PolarHBondContact OD1-NE2 3.31Å; D332-H336 IonicContact OD2-CD2 2.75Å; D332-H336 PolarHBondContact OD2-CD2 3.25Å; D332-H336 IonicContact OD2-NE2 3.79Å; D332-H336 PolarHBondContact OD2-NE2 3.29Å |
| 333 | A | 88.8 | Confident | 80.1 | Confident | 50 Ų | 50 | 117.6 Ų | 117.6 | 41% | 0.413 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.1 | -19.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | I329 L330 M331 | I329-A333 VanDerWaalsContact O-CB 3.25Å; I329-A333 WeakPolarHBondContact O-CB 3.46Å; I329-A333 PolarHBondContact O-N 3.43Å; L330-A333 PolarHBondContact O-N 3.31Å; M331-A333 PolarHBondContact O-N 3.46Å |
| 334 | F | 83.9 | Confident | 78 | Confident | 118 Ų | 118 | 121.5 Ų | 121.5 | 52% | 0.518 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -86.3 | -41.3 | 170.1 | -78.3 | -63.4 | 0 | 0 | 0 | 112 | L330 M331 D332 H336 K337 F560 | L330-F334 WeakPolarHBondContact O-CD2 3.49Å; L330-F334 PolarHBondContact O-N 3.34Å; M331-F334 PolarHBondContact O-N 3.5Å; D332-F334 VanDerWaalsContact C-N 3.25Å; D332-F334 PolarHBondContact O-N 2.84Å; F334-H336 VanDerWaalsContact C-N 3.32Å; F334-H336 PolarHBondContact O-N 3.38Å; F334-K337 PolarHBondContact O-N 2.99Å; F334-F560 HydrophobicContact CE2-CZ 4.08Å; F334-F560 HydrophobicContact CZ-CZ 4.06Å |
| 335 | D | 85.9 | Confident | 76.1 | Confident | 124 Ų | 124 | 122.5 Ų | 122.5 | 66% | 0.663 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -60.8 | -40 | 178.9 | -160.6 | 40.9 | 0 | 0 | 0 | 111.4 | M331 D332 K337 E338 | M331-D335 PolarHBondContact O-N 3.22Å; D332-D335 PolarHBondContact O-N 3.19Å; D335-K337 PolarHBondContact O-N 3.15Å; D335-E338 PolarHBondContact O-N 3.41Å |
| 336 | H | 68.4 | Low | 74 | Confident | 132 Ų | 132 | 123.5 Ų | 123.5 | 61% | 0.611 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -3.5 | 173.7 | -65.2 | -51.1 | 0 | 0 | 0 | 115 | D332 F334 | D332-H336 PolarHBondContact O-CD2 3Å; D332-H336 PolarHBondContact O-N 3.19Å; D332-H336 IonicContact OD1-CD2 3.19Å; D332-H336 IonicContact OD1-CE1 3.63Å; D332-H336 IonicContact OD1-NE2 2.73Å; D332-H336 PolarHBondContact OD1-NE2 3.31Å; D332-H336 IonicContact OD2-CD2 2.75Å; D332-H336 PolarHBondContact OD2-CD2 3.25Å; D332-H336 IonicContact OD2-NE2 3.79Å; D332-H336 PolarHBondContact OD2-NE2 3.29Å; F334-H336 VanDerWaalsContact C-N 3.32Å; F334-H336 PolarHBondContact O-N 3.38Å |
| 337 | K | 65.9 | Low | 72.3 | Confident | 174 Ų | 174 | 127.8 Ų | 127.8 | 76% | 0.757 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | -8.9 | 179.1 | -74.1 | -159 | 172.8 | -163.7 | 0 | 115.5 | F334 D335 K339 | F334-K337 PolarHBondContact O-N 2.99Å; D335-K337 PolarHBondContact O-N 3.15Å; K337-K339 VanDerWaalsContact C-N 3.28Å; K337-K339 PolarHBondContact O-N 3.05Å |
| 338 | E | 61.9 | Low | 70.7 | Confident | 171 Ų | 171 | 131.8 Ų | 131.8 | 80% | 0.799 | 66% | 0.655 | S | S | * | * | | | trans | -93.4 | 32.7 | -176.4 | -150.8 | 166.3 | -122.2 | 0 | 0 | 114.1 | D335 P340 | D335-E338 PolarHBondContact O-N 3.41Å; E338-P340 WeakPolarHBondContact O-CD 3.47Å |
| 339 | K | 60.9 | Low | 68.9 | Low | 192 Ų | 192 | 133 Ų | 133 | 84% | 0.835 | 66% | 0.664 | S | S | * | * | | | trans | -110.4 | 93.4 | 159.7 | -73.9 | -176.4 | -178.1 | 173 | 0 | 109.8 | K337 E341 | K337-K339 VanDerWaalsContact C-N 3.28Å; K337-K339 PolarHBondContact O-N 3.05Å; K339-E341 PolarHBondContact O-N 3.41Å |
| 340 | P | 60.3 | Low | 66.9 | Low | 103 Ų | 103 | 136.3 Ų | 136.3 | 67% | 0.669 | 68% | 0.677 | S | S | * | * | | | trans | -54.8 | 135.7 | 153.5 | 26.5 | -33.8 | 0 | 0 | 0 | 108.4 | E338 D342 | E338-P340 WeakPolarHBondContact O-CD 3.47Å; P340-D342 PolarHBondContact O-N 3.21Å |
| 341 | E | 58.4 | Low | 65 | Low | 202 Ų | 202 | 137.5 Ų | 137.5 | 94% | 0.944 | 69% | 0.69 | S | S | * | * | | | trans | -78.2 | 67.8 | 178.1 | -165.2 | 161.7 | -142.1 | 0 | 0 | 109.1 | K339 G343 | K339-E341 PolarHBondContact O-N 3.41Å; E341-G343 PolarHBondContact O-N 2.99Å; E341-G343 VanDerWaalsContact O-N 3.13Å |
| 342 | D | 58.5 | Low | 63.1 | Low | 158 Ų | 158 | 135.7 Ų | 135.7 | 85% | 0.845 | 70% | 0.704 | S | S | * | * | | | trans | -80.5 | 93.3 | -168.3 | -166.7 | 21.6 | 0 | 0 | 0 | 111.1 | P340 | P340-D342 PolarHBondContact O-N 3.21Š|
| 343 | G | 53.7 | Low | 61.3 | Low | 67 Ų | 67 | 137.7 Ų | 137.7 | 69% | 0.691 | 72% | 0.719 | S | S | * | * | | | trans | 122 | 70.6 | 159.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | E341 | E341-G343 PolarHBondContact O-N 2.99Å; E341-G343 VanDerWaalsContact O-N 3.13Å |
| 344 | E | 50.4 | Low | 59.7 | Low | 172 Ų | 172 | 142.6 Ų | 142.6 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | | | trans | -139.8 | 71.4 | 142.5 | -156.5 | 159 | -122.8 | 0 | 0 | 111.5 | H346 | E344-H346 PolarHBondContact O-N 3.23Š|
| 345 | E | 53.9 | Low | 58.4 | Low | 146 Ų | 146 | 145.2 Ų | 145.2 | 68% | 0.682 | 75% | 0.745 | S | S | * | * | | | trans | -65.3 | 84.5 | 164 | -90.5 | -145.7 | 129.5 | 0 | 0 | 109.7 | R347 | E345-R347 PolarHBondContact O-N 2.95Å; E345-R347 IonicContact OE1-CZ 3.66Å; E345-R347 IonicContact OE1-NE 2.59Å; E345-R347 PolarHBondContact OE1-NE 3.44Å; E345-R347 IonicContact OE1-NH2 3.55Å; E345-R347 PolarHBondContact OE1-NH2 2.98Å; E345-R347 IonicContact OE2-NE 2.72Å; E345-R347 PolarHBondContact OE2-NE 3.28Å |
| 346 | H | 53 | Low | 57.1 | Low | 135 Ų | 135 | 148 Ų | 148 | 63% | 0.625 | 75% | 0.751 | S | S | * | * | | | trans | -75.6 | 56.2 | 173.3 | -141.3 | -82.4 | 0 | 0 | 0 | 111.3 | E344 E348 | E344-H346 PolarHBondContact O-N 3.23Å; H346-E348 IonicContact CE1-OE1 3.43Å; H346-E348 IonicContact ND1-OE1 2.56Å; H346-E348 PolarHBondContact O-N 3.29Å |
| 347 | R | 58.5 | Low | 56.6 | Low | 175 Ų | 175 | 149.3 Ų | 149.3 | 66% | 0.66 | 76% | 0.758 | S | S | * | * | | | trans | -73.6 | 90 | 173.2 | -71.3 | -163.3 | -167.8 | -141.5 | 3.1 | 109.9 | E345 N349 | E345-R347 PolarHBondContact O-N 2.95Å; E345-R347 IonicContact OE1-CZ 3.66Å; E345-R347 IonicContact OE1-NE 2.59Å; E345-R347 PolarHBondContact OE1-NE 3.44Å; E345-R347 IonicContact OE1-NH2 3.55Å; E345-R347 PolarHBondContact OE1-NH2 2.98Å; E345-R347 IonicContact OE2-NE 2.72Å; E345-R347 PolarHBondContact OE2-NE 3.28Å; R347-N349 PolarHBondContact O-N 3.06Å; R347-N349 PolarHBondContact O-ND2 2.99Å |
| 348 | E | 59 | Low | 56 | Low | 149 Ų | 149 | 149.3 Ų | 149.3 | 70% | 0.696 | 77% | 0.766 | S | S | * | * | | | trans | -64.8 | 79.2 | 172.1 | -65 | -176.1 | 161.7 | 0 | 0 | 111.5 | H346 E350 | H346-E348 IonicContact CE1-OE1 3.43Å; H346-E348 IonicContact ND1-OE1 2.56Å; H346-E348 PolarHBondContact O-N 3.29Å; E348-E350 PolarHBondContact O-N 3.12Å |
| 349 | N | 56.7 | Low | 55.6 | Low | 147 Ų | 147 | 144.7 Ų | 144.7 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | | | trans | -75.2 | 70.3 | 169.2 | -70.3 | -65.2 | 0 | 0 | 0 | 109.6 | R347 S351 | R347-N349 PolarHBondContact O-N 3.06Å; R347-N349 PolarHBondContact O-ND2 2.99Å; N349-S351 PolarHBondContact O-N 3.04Å |
| 350 | E | 53.1 | Low | 55.1 | Low | 170 Ų | 170 | 144.2 Ų | 144.2 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | | | trans | -61.2 | 108.7 | -179.6 | -85.3 | -151.9 | 122.6 | 0 | 0 | 112.7 | E348 | E348-E350 PolarHBondContact O-N 3.12Š|
| 351 | S | 51.8 | Low | 54.8 | Low | 87 Ų | 87 | 145.8 Ų | 145.8 | 61% | 0.608 | 77% | 0.773 | S | S | * | * | | | trans | 47.8 | 97.9 | 150.1 | 64.5 | 0 | 0 | 0 | 0 | 118.1 | N349 | N349-S351 PolarHBondContact O-N 3.04Š|
| 352 | G | 50.4 | Low | 54.6 | Low | 86 Ų | 86 | 142.8 Ų | 142.8 | 89% | 0.887 | 76% | 0.763 | S | S | * | * | | | trans | -63.6 | 133.9 | 146.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 353 | T | 54.3 | Low | 54.5 | Low | 134 Ų | 134 | 139.6 Ų | 139.6 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | | | trans | -119.7 | 154.5 | 167.3 | 44.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 354 | E | 55.7 | Low | 54.4 | Low | 153 Ų | 153 | 145.6 Ų | 145.6 | 72% | 0.715 | 76% | 0.763 | S | S | * | * | | | trans | -82.2 | 147.3 | -157.4 | -63 | -168.5 | 91.3 | 0 | 0 | 115.8 | | |
| 355 | K | 55.1 | Low | 54.3 | Low | 172 Ų | 172 | 147 Ų | 147 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | | | trans | 29 | 126.5 | 134.6 | -54.3 | 161.6 | -171.9 | 152.2 | 0 | 117.3 | | |
| 356 | K | 60.3 | Low | 54.3 | Low | 182 Ų | 182 | 145.2 Ų | 145.2 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | | | | -165.3 | 140.4 | 111.5 | -109.3 | 167.1 | 178.2 | 177.9 | 0 | 116.7 | | |
| 357 | E | 57.5 | Low | 54.1 | Low | 161 Ų | 161 | 146.2 Ų | 146.2 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | | | trans | 54.3 | 122 | 145 | -72.3 | 166.4 | 115.4 | 0 | 0 | 120.6 | | |
| 358 | D | 52 | Low | 53.7 | Low | 173 Ų | 173 | 144.9 Ų | 144.9 | 93% | 0.925 | 78% | 0.779 | S | S | * | * | | | trans | -61.4 | 150.1 | 169.1 | -46.5 | -99.9 | 0 | 0 | 0 | 112.9 | | |
| 359 | G | 54.9 | Low | 53.2 | Low | 75 Ų | 75 | 145.6 Ų | 145.6 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | | | trans | -167.8 | 83.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 360 | E | 50.6 | Low | 52.6 | Low | 182 Ų | 182 | 143.6 Ų | 143.6 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | | | trans | -66.5 | 163.9 | 174.6 | -81.9 | -167.1 | 98 | 0 | 0 | 113.4 | | |
| 361 | T | 53.3 | Low | 52.4 | Low | 135 Ų | 135 | 143.5 Ų | 143.5 | 83% | 0.828 | 78% | 0.775 | S | S | * | * | | | trans | 74.1 | 149.3 | 170.6 | 72.5 | 0 | 0 | 0 | 0 | 117.2 | | |
| 362 | D | 53.5 | Low | 52 | Low | 140 Ų | 140 | 146.2 Ų | 146.2 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | | | cis | -176.3 | 167.3 | -28.7 | 173.4 | 45.9 | 0 | 0 | 0 | 106.1 | | |
| 363 | S | 57.5 | Low | 51.8 | Low | 91 Ų | 91 | 147.7 Ų | 147.7 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | | | trans | 77.6 | 136.4 | 156 | -84.8 | 0 | 0 | 0 | 0 | 119.7 | | |
| 364 | Q | 50.6 | Low | 51.5 | Low | 192 Ų | 192 | 145.8 Ų | 145.8 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | | | trans | 78.9 | 81 | 159.7 | -63.8 | -178.8 | -1.7 | 0 | 0 | 120.1 | | |
| 365 | K | 48.5 | Very low | 51.1 | Low | 201 Ų | 201 | 145.5 Ų | 145.5 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | | | trans | -71.9 | 177.8 | 134.4 | -66 | -177.4 | 175.4 | -178.5 | 0 | 110.4 | | |
| 366 | P | 53.6 | Low | 50.5 | Low | 109 Ų | 109 | 145.7 Ų | 145.7 | 71% | 0.708 | 79% | 0.788 | S | S | * | * | | | | -133.6 | 178.4 | -54.3 | 39.9 | -24.9 | 0 | 0 | 0 | 111.6 | | |
| 367 | D | 48.7 | Very low | 49.7 | Very low | 157 Ų | 157 | 142.7 Ų | 142.7 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | | | trans | 177.1 | 160.3 | 153.8 | -92.1 | -22.9 | 0 | 0 | 0 | 106.5 | | |
| 368 | E | 50.1 | Low | 49 | Very low | 147 Ų | 147 | 145.2 Ų | 145.2 | 69% | 0.687 | 79% | 0.789 | S | S | * | * | | | cis | -166.5 | 168.9 | -35.1 | -160 | -165.2 | -143.2 | 0 | 0 | 104.5 | | |
| 369 | Q | 48.3 | Very low | 49.4 | Very low | 164 Ų | 164 | 142.4 Ų | 142.4 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | | | trans | 71.6 | 148.5 | 169.8 | -59.8 | 173.3 | 35.2 | 0 | 0 | 116.6 | | |
| 370 | T | 44 | Very low | 49.3 | Very low | 104 Ų | 104 | 143.7 Ų | 143.7 | 64% | 0.638 | 78% | 0.775 | S | S | * | * | | | cis | -158 | 146.4 | -11.7 | -102.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 371 | E | 49.5 | Very low | 48.8 | Very low | 169 Ų | 169 | 143.4 Ų | 143.4 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | | | trans | 17.5 | 119.4 | 159.3 | -57.1 | 174.4 | 140.2 | 0 | 0 | 121.6 | | |
| 372 | T | 44.2 | Very low | 48.4 | Very low | 144 Ų | 144 | 142.3 Ų | 142.3 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | | | | -169.3 | 139.4 | 114.2 | 7.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 373 | P | 44.5 | Very low | 47.9 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | | | trans | -106.5 | 123.8 | 170.9 | 35.4 | -27.7 | 0 | 0 | 0 | 113.5 | | |
| 374 | A | 49.1 | Very low | 47.2 | Very low | 94 Ų | 94 | 146.2 Ų | 146.2 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | | | trans | -134.5 | 121.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 375 | I | 46.6 | Very low | 46.5 | Very low | 147 Ų | 147 | 142.6 Ų | 142.6 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | | | | 67.4 | 123.6 | 51.7 | -52.8 | 174.4 | 0 | 0 | 0 | 110.9 | | |
| 376 | M | 43.7 | Very low | 46.3 | Very low | 176 Ų | 176 | 139.9 Ų | 139.9 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | | | trans | 74.9 | 129.8 | -169.5 | -57.6 | -160.4 | 179.8 | 0 | 0 | 113.5 | | |
| 377 | T | 43.2 | Very low | 45.8 | Very low | 118 Ų | 118 | 142.8 Ų | 142.8 | 72% | 0.724 | 78% | 0.784 | S | S | * | * | | | cis | -148.4 | 146.5 | 1.7 | -87.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 378 | Y | 43.5 | Very low | 45.8 | Very low | 214 Ų | 214 | 141.2 Ų | 141.2 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 130.9 | 167.7 | -78.1 | -99.9 | 0 | 0 | 0 | 110.2 | | |
| 379 | P | 59.7 | Low | 45.7 | Very low | 114 Ų | 114 | 143.6 Ų | 143.6 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 136.3 | 157.3 | 30.2 | -32 | 0 | 0 | 0 | 108.5 | | |
| 380 | P | 51.5 | Low | 45.7 | Very low | 103 Ų | 103 | 142.7 Ų | 142.7 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 149.6 | 173.3 | 30.7 | -34.3 | 0 | 0 | 0 | 110.6 | T382 | P380-T382 HydrophobicContact CB-CG2 4.38Å; P380-T382 HydrophobicContact CG-CG2 4.3Å; P380-T382 PolarHBondContact O-N 3.39Å |
| 381 | L | 41.3 | Very low | 45.9 | Very low | 176 Ų | 176 | 143.6 Ų | 143.6 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 119.2 | 155.9 | -70.5 | 157.2 | 0 | 0 | 0 | 107.5 | | |
| 382 | T | 44.8 | Very low | 45.7 | Very low | 112 Ų | 112 | 144.4 Ų | 144.4 | 69% | 0.687 | 79% | 0.793 | S | S | * | * | | | trans | -141.5 | 121.5 | 165.8 | 53 | 0 | 0 | 0 | 0 | 107.7 | P380 | P380-T382 HydrophobicContact CB-CG2 4.38Å; P380-T382 HydrophobicContact CG-CG2 4.3Å; P380-T382 PolarHBondContact O-N 3.39Å |
| 383 | D | 43.9 | Very low | 45.7 | Very low | 163 Ų | 163 | 143.3 Ų | 143.3 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | | | trans | -67.1 | 132.4 | -168 | -50.8 | -84.1 | 0 | 0 | 0 | 112.2 | | |
| 384 | N | 41.1 | Very low | 45.3 | Very low | 149 Ų | 149 | 141.3 Ų | 141.3 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | | | trans | -75.6 | 147.4 | 168.4 | -93.7 | -24.7 | 0 | 0 | 0 | 109.7 | | |
| 385 | C | 36.4 | Very low | 45 | Very low | 116 Ų | 116 | 146.4 Ų | 146.4 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | | | trans | 55.3 | 105 | 164.3 | -55.5 | 0 | 0 | 0 | 0 | 114.9 | | |
| 386 | L | 45.3 | Very low | 44.6 | Very low | 144 Ų | 144 | 146.2 Ų | 146.2 | 75% | 0.754 | 81% | 0.806 | S | S | * | * | | | | -157.2 | 125.6 | 56.9 | -85.4 | 162.8 | 0 | 0 | 0 | 111.7 | I388 | L386-I388 HydrophobicContact CB-CD1 4.3Å; L386-I388 HydrophobicContact CB-CG1 4.22Å; L386-I388 HydrophobicContact CD1-CD1 4.1Å; L386-I388 HydrophobicContact CD2-CD1 4.27Å; L386-I388 HydrophobicContact CD2-CG1 4.4Å; L386-I388 HydrophobicContact CG-CD1 4.47Å; L386-I388 PolarHBondContact O-N 2.86Å |
| 387 | N | 43 | Very low | 44.6 | Very low | 171 Ų | 171 | 147 Ų | 147 | 91% | 0.914 | 81% | 0.807 | S | S | * | * | | | trans | -84.1 | 50.4 | 173.8 | -113.2 | -45.6 | 0 | 0 | 0 | 111.9 | K389 | N387-K389 PolarHBondContact O-N 3.37Š|
| 388 | I | 48.7 | Very low | 44.6 | Very low | 124 Ų | 124 | 151.1 Ų | 151.1 | 64% | 0.636 | 82% | 0.815 | S | S | * | * | | | trans | -78 | 108.5 | 174.5 | -65.7 | 173.2 | 0 | 0 | 0 | 108.5 | L386 L390 | L386-I388 HydrophobicContact CB-CD1 4.3Å; L386-I388 HydrophobicContact CB-CG1 4.22Å; L386-I388 HydrophobicContact CD1-CD1 4.1Å; L386-I388 HydrophobicContact CD2-CD1 4.27Å; L386-I388 HydrophobicContact CD2-CG1 4.4Å; L386-I388 HydrophobicContact CG-CD1 4.47Å; L386-I388 PolarHBondContact O-N 2.86Å; I388-L390 PolarHBondContact O-N 3.1Å |
| 389 | K | 46.8 | Very low | 44.7 | Very low | 196 Ų | 196 | 152.5 Ų | 152.5 | 85% | 0.852 | 82% | 0.819 | S | S | * | * | | | trans | -71.2 | 92.5 | 172 | -76.4 | -179.6 | 175.3 | 176.1 | 0 | 110.2 | N387 P391 | N387-K389 PolarHBondContact O-N 3.37Å; K389-P391 WeakPolarHBondContact O-CD 3.47Å |
| 390 | L | 48.9 | Very low | 43.8 | Very low | 146 Ų | 146 | 152.4 Ų | 152.4 | 76% | 0.764 | 82% | 0.821 | S | S | * | * | | | trans | -57.5 | 120.8 | 158.2 | -81 | 160 | 0 | 0 | 0 | 109 | I388 Q392 | I388-L390 PolarHBondContact O-N 3.1Å; L390-Q392 VanDerWaalsContact C-N 3.35Å; L390-Q392 PolarHBondContact O-N 3.47Å |
| 391 | P | 49 | Very low | 43.8 | Very low | 123 Ų | 123 | 153.3 Ų | 153.3 | 80% | 0.799 | 83% | 0.827 | S | S | * | * | | | trans | -75.7 | 89.5 | 172.4 | 30.9 | -32 | 0 | 0 | 0 | 108.6 | K389 S393 | K389-P391 WeakPolarHBondContact O-CD 3.47Å; P391-S393 PolarHBondContact O-N 2.93Å |
| 392 | Q | 45.3 | Very low | 44 | Very low | 186 Ų | 186 | 153.7 Ų | 153.7 | 87% | 0.869 | 82% | 0.824 | S | S | * | * | | | trans | -62.8 | 136.8 | 173 | -80.4 | -169 | -32.2 | 0 | 0 | 110.6 | L390 | L390-Q392 VanDerWaalsContact C-N 3.35Å; L390-Q392 PolarHBondContact O-N 3.47Å |
| 393 | S | 43.2 | Very low | 43.9 | Very low | 120 Ų | 120 | 155.4 Ų | 155.4 | 84% | 0.839 | 82% | 0.824 | S | S | * | * | | | trans | -68.3 | 145.4 | -172.4 | 53.5 | 0 | 0 | 0 | 0 | 113.5 | P391 | P391-S393 PolarHBondContact O-N 2.93Š|
| 394 | G | 37.7 | Very low | 43.8 | Very low | 75 Ų | 75 | 156.8 Ų | 156.8 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | | | trans | 108.8 | 75.6 | 148.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 395 | E | 42 | Very low | 44.3 | Very low | 201 Ų | 201 | 156.6 Ų | 156.6 | 94% | 0.939 | 82% | 0.817 | S | S | * | * | | | trans | -144.9 | 125 | 142 | -127.4 | 168.5 | -166 | 0 | 0 | 110.4 | | |
| 396 | T | 38.3 | Very low | 45.6 | Very low | 143 Ų | 143 | 156.5 Ų | 156.5 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | | | trans | -100.2 | 108.6 | -175 | 52.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 397 | E | 42.9 | Very low | 46 | Very low | 192 Ų | 192 | 155.1 Ų | 155.1 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | | | trans | -117.7 | 137 | 165.4 | -160.8 | 175.9 | 171.8 | 0 | 0 | 111.8 | R399 | E397-R399 PolarHBondContact O-N 2.85Š|
| 398 | K | 44 | Very low | 45.9 | Very low | 206 Ų | 206 | 156.9 Ų | 156.9 | 90% | 0.896 | 81% | 0.809 | S | S | * | * | | | trans | -87.7 | 111.3 | -168.8 | -61.2 | 174.8 | -176.7 | 176.1 | 0 | 110.8 | | |
| 399 | R | 45.4 | Very low | 46.1 | Very low | 242 Ų | 242 | 157.6 Ų | 157.6 | 91% | 0.913 | 82% | 0.818 | S | S | * | * | | | trans | -117.2 | 138.3 | 155.1 | -83 | -172.8 | 170.7 | 174.9 | -1.1 | 110.6 | E397 | E397-R399 PolarHBondContact O-N 2.85Š|
| 400 | S | 41.2 | Very low | 45.7 | Very low | 112 Ų | 112 | 153.6 Ų | 153.6 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | | | trans | -69.4 | 136.7 | -176.8 | -167.4 | 0 | 0 | 0 | 0 | 110.7 | E402 | S400-E402 PolarHBondContact O-N 3.13Š|
| 401 | P | 51.1 | Low | 45.4 | Very low | 122 Ų | 122 | 154.4 Ų | 154.4 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | | | trans | -70.1 | 113.6 | 163.8 | 29.1 | -31.5 | 0 | 0 | 0 | 109.1 | E403 | P401-E403 PolarHBondContact O-N 3.45Š|
| 402 | E | 46.3 | Very low | 44.7 | Very low | 184 Ų | 184 | 153.9 Ų | 153.9 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | | | trans | -86.4 | 86.4 | 178.4 | -171.5 | 175.4 | 134.2 | 0 | 0 | 110.7 | S400 E404 | S400-E402 PolarHBondContact O-N 3.13Å; E402-E404 VanDerWaalsContact C-N 3.28Å; E402-E404 PolarHBondContact O-N 3.48Å |
| 403 | E | 41 | Very low | 44.5 | Very low | 149 Ų | 149 | 152.4 Ų | 152.4 | 70% | 0.696 | 81% | 0.807 | S | S | * | * | | | trans | 34.3 | 40.9 | 156.9 | -147.4 | -165 | 125.5 | 0 | 0 | 118.9 | P401 K405 | P401-E403 PolarHBondContact O-N 3.45Å; E403-K405 PolarHBondContact O-N 3.38Å; E403-K405 VanDerWaalsContact O-N 3.15Å; E403-K405 WeakPolarHBondContact OE1-CE 3.27Å; E403-K405 IonicContact OE1-NZ 3.68Å; E403-K405 PolarHBondContact OE1-NZ 3.49Å |
| 404 | E | 42.7 | Very low | 44.4 | Very low | 192 Ų | 192 | 158.6 Ų | 158.6 | 90% | 0.897 | 81% | 0.812 | S | S | * | * | | | trans | -73.8 | 109 | 178.9 | -167.9 | 164.6 | -162.1 | 0 | 0 | 110.7 | E402 | E402-E404 VanDerWaalsContact C-N 3.28Å; E402-E404 PolarHBondContact O-N 3.48Å |
| 405 | K | 52.3 | Low | 44.8 | Very low | 145 Ų | 145 | 162 Ų | 162 | 63% | 0.63 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 134.7 | -173.3 | -65.4 | 170.4 | -179.6 | 61.4 | 0 | 110.5 | E403 | E403-K405 PolarHBondContact O-N 3.38Å; E403-K405 VanDerWaalsContact O-N 3.15Å; E403-K405 WeakPolarHBondContact OE1-CE 3.27Å; E403-K405 IonicContact OE1-NZ 3.68Å; E403-K405 PolarHBondContact OE1-NZ 3.49Å |
| 406 | P | 62.3 | Low | 45.4 | Very low | 113 Ų | 113 | 161.3 Ų | 161.3 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 147.8 | 169.6 | 27.1 | -34.2 | 0 | 0 | 0 | 110.6 | R408 | P406-R408 PolarHBondContact O-N 2.85Š|
| 407 | P | 55.3 | Low | 46 | Very low | 115 Ų | 115 | 162.5 Ų | 162.5 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 122.4 | -171.8 | 24.4 | -34 | 0 | 0 | 0 | 111.7 | V409 | P407-V409 PolarHBondContact O-N 3.43Š|
| 408 | R | 40.4 | Very low | 46.7 | Very low | 209 Ų | 209 | 159.1 Ų | 159.1 | 79% | 0.789 | 80% | 0.8 | S | S | * | * | | | trans | -73.2 | 83.5 | 179.9 | -173.9 | -176.3 | 179.9 | 130.7 | 9.1 | 111.1 | P406 D410 | P406-R408 PolarHBondContact O-N 2.85Å; R408-D410 WeakPolarHBondContact CD-OD2 3.36Å; R408-D410 WeakPolarHBondContact CG-OD2 3.24Å; R408-D410 IonicContact CZ-OD2 3.77Å; R408-D410 IonicContact NE-OD2 3.63Å; R408-D410 PolarHBondContact NE-OD2 2.74Å; R408-D410 IonicContact NH2-OD2 3.46Å; R408-D410 PolarHBondContact O-N 2.85Å |
| 409 | V | 51.6 | Low | 46.8 | Very low | 138 Ų | 138 | 157.6 Ų | 157.6 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | | | trans | -74.7 | 73.8 | 169.1 | -88.3 | 0 | 0 | 0 | 0 | 111 | P407 N411 | P407-V409 PolarHBondContact O-N 3.43Å; V409-N411 PolarHBondContact O-N 2.69Å; V409-N411 VanDerWaalsContact O-N 3.14Å |
| 410 | D | 39.2 | Very low | 46.7 | Very low | 113 Ų | 113 | 153.2 Ų | 153.2 | 60% | 0.604 | 79% | 0.79 | S | S | * | * | | | trans | -62.6 | 106.1 | 161 | -85.6 | -61.5 | 0 | 0 | 0 | 109.1 | R408 | R408-D410 WeakPolarHBondContact CD-OD2 3.36Å; R408-D410 WeakPolarHBondContact CG-OD2 3.24Å; R408-D410 IonicContact CZ-OD2 3.77Å; R408-D410 IonicContact NE-OD2 3.63Å; R408-D410 PolarHBondContact NE-OD2 2.74Å; R408-D410 IonicContact NH2-OD2 3.46Å; R408-D410 PolarHBondContact O-N 2.85Å |
| 411 | N | 41.8 | Very low | 46.8 | Very low | 162 Ų | 162 | 151.4 Ų | 151.4 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | | | trans | -145.7 | 130.3 | 157 | -134.8 | -24.8 | 0 | 0 | 0 | 112.5 | V409 | V409-N411 PolarHBondContact O-N 2.69Å; V409-N411 VanDerWaalsContact O-N 3.14Å |
| 412 | C | 34 | Very low | 46.6 | Very low | 113 Ų | 113 | 154.5 Ų | 154.5 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | | | trans | -94.4 | 125.8 | -160 | -67.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 413 | L | 42 | Very low | 46.5 | Very low | 155 Ų | 155 | 154.3 Ų | 154.3 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | | | trans | -139.3 | 79.2 | 158.6 | -111.3 | 159.6 | 0 | 0 | 0 | 111.7 | I415 | L413-I415 HydrophobicContact CD2-CG1 4.3Å; L413-I415 PolarHBondContact O-N 2.93Å |
| 414 | R | 40.3 | Very low | 47 | Very low | 249 Ų | 249 | 156.2 Ų | 156.2 | 94% | 0.94 | 80% | 0.798 | S | S | * | * | | | trans | -66.5 | 95.5 | 168 | -78.9 | 177.3 | 167.2 | 159.9 | -5.1 | 110.1 | | |
| 415 | I | 47.8 | Very low | 47.2 | Very low | 146 Ų | 146 | 156.6 Ų | 156.6 | 75% | 0.749 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 124.6 | 162.4 | -59.5 | -178.9 | 0 | 0 | 0 | 107.8 | L413 | L413-I415 HydrophobicContact CD2-CG1 4.3Å; L413-I415 PolarHBondContact O-N 2.93Å |
| 416 | K | 54.4 | Low | 47 | Very low | 188 Ų | 188 | 155.7 Ų | 155.7 | 82% | 0.817 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 123.7 | 178.2 | -65.9 | 179 | 179.3 | 179.6 | 0 | 109.6 | | |
| 417 | L | 49.3 | Very low | 46.7 | Very low | 168 Ų | 168 | 159.5 Ų | 159.5 | 88% | 0.88 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -74 | 125.8 | 158.7 | -74.9 | 163 | 0 | 0 | 0 | 108.8 | | |
| 418 | P | 59.2 | Low | 46 | Very low | 121 Ų | 121 | 161.8 Ų | 161.8 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -77 | 139.2 | 165.6 | 31.9 | -31.5 | 0 | 0 | 0 | 109.9 | | |
| 419 | Q | 45.7 | Very low | 46.2 | Very low | 173 Ų | 173 | 159.5 Ų | 159.5 | 81% | 0.808 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 154.1 | 172.5 | -68.2 | -178.2 | -103.3 | 0 | 0 | 111.5 | | |
| 420 | D | 43.3 | Very low | 46.1 | Very low | 150 Ų | 150 | 158.9 Ų | 158.9 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | | | trans | 25.9 | 121.7 | 147 | -51.4 | -54.1 | 0 | 0 | 0 | 119.4 | | |
| 421 | G | 43.5 | Very low | 46.4 | Very low | 74 Ų | 74 | 157 Ų | 157 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | | | trans | -179.1 | 90.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 422 | E | 45.5 | Very low | 46.5 | Very low | 187 Ų | 187 | 157.3 Ų | 157.3 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | | | trans | 64.9 | 142.1 | 149.9 | -58.4 | -162.9 | 102.2 | 0 | 0 | 122.5 | | |
| 423 | E | 44.8 | Very low | 46.9 | Very low | 180 Ų | 180 | 158.2 Ų | 158.2 | 84% | 0.841 | 81% | 0.812 | S | S | * | * | | | trans | -84.9 | 153 | 174.6 | -49.2 | 163.8 | 99.7 | 0 | 0 | 113 | | |
| 424 | K | 51.1 | Low | 47.1 | Very low | 190 Ų | 190 | 155.4 Ų | 155.4 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | | | trans | -164.8 | 150.6 | 135.5 | -102.8 | 134.8 | -157.1 | 142.3 | 0 | 113.9 | | |
| 425 | K | 47.5 | Very low | 47.5 | Very low | 200 Ų | 200 | 149.2 Ų | 149.2 | 87% | 0.87 | 80% | 0.801 | S | S | * | * | | | trans | -85 | 163.2 | 174.4 | -106.7 | -169.3 | 171 | -177.1 | 0 | 112 | | |
| 426 | P | 47.2 | Very low | 47.6 | Very low | 126 Ų | 126 | 150.2 Ų | 150.2 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -86.9 | 172.7 | -172.2 | 36.9 | -37.4 | 0 | 0 | 0 | 114.1 | | |
| 427 | E | 56.2 | Low | 47.2 | Very low | 193 Ų | 193 | 147.6 Ų | 147.6 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | | | trans | -126.8 | 154.8 | 176.8 | -164.7 | 169.1 | 175.8 | 0 | 0 | 111.5 | | |
| 428 | E | 41.9 | Very low | 47.2 | Very low | 163 Ų | 163 | 147.4 Ų | 147.4 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | | | trans | -77 | 173.1 | -178.7 | -81.4 | -175.8 | 102.1 | 0 | 0 | 113.3 | | |
| 429 | Q | 44 | Very low | 46.7 | Very low | 160 Ų | 160 | 146.8 Ų | 146.8 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | | | cis | -156.5 | -179.5 | 3.4 | -124.8 | -179.8 | 38.7 | 0 | 0 | 109.1 | | |
| 430 | P | 49.7 | Very low | 46.7 | Very low | 126 Ų | 126 | 147 Ų | 147 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | trans | -108.6 | -177.6 | -165.1 | 43.4 | -39.4 | 0 | 0 | 0 | 117.2 | | |
| 431 | G | 46.2 | Very low | 46.8 | Very low | 72 Ų | 72 | 145.5 Ų | 145.5 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | | | trans | 171.5 | 160.9 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 432 | E | 43.9 | Very low | 47.2 | Very low | 169 Ų | 169 | 150 Ų | 150 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | | | cis | -167.6 | 150 | -15.4 | -143.2 | -164.4 | 156.7 | 0 | 0 | 109.7 | | |
| 433 | N | 41.2 | Very low | 47.4 | Very low | 132 Ų | 132 | 147.6 Ų | 147.6 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | | | trans | 67.6 | 148.9 | 157.4 | -64.2 | -48.1 | 0 | 0 | 0 | 123.3 | | |
| 434 | A | 47.3 | Very low | 47.6 | Very low | 97 Ų | 97 | 145.4 Ų | 145.4 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | | | trans | 106 | 138.9 | 155.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 435 | V | 49.1 | Very low | 47.3 | Very low | 118 Ų | 118 | 142.7 Ų | 142.7 | 72% | 0.715 | 73% | 0.734 | S | S | * | * | | | cis | -170.8 | 152.9 | -28.3 | 104.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 436 | E | 49.5 | Very low | 47.1 | Very low | 168 Ų | 168 | 143.4 Ų | 143.4 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | | | trans | 64.2 | 158.3 | 164.3 | -77.6 | 163.1 | -137.6 | 0 | 0 | 118 | | |
| 437 | E | 44.9 | Very low | 47.1 | Very low | 133 Ų | 133 | 143 Ų | 143 | 62% | 0.621 | 72% | 0.718 | S | S | * | * | | | cis | -167.8 | 153.4 | -16 | 168.9 | -177.1 | 65.6 | 0 | 0 | 111.6 | | |
| 438 | K | 49.4 | Very low | 46.7 | Very low | 163 Ų | 163 | 142.9 Ų | 142.9 | 71% | 0.709 | 71% | 0.714 | S | S | * | * | | | trans | 70.9 | 156.1 | 159.3 | -84.9 | 163 | -163.7 | 147.9 | 0 | 119.3 | | |
| 439 | V | 48.2 | Very low | 47 | Very low | 109 Ų | 109 | 143 Ų | 143 | 66% | 0.661 | 71% | 0.712 | S | S | * | * | | | cis | -152.6 | 127.9 | -5.2 | 96.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 440 | E | 46.3 | Very low | 47.3 | Very low | 177 Ų | 177 | 140.6 Ų | 140.6 | 83% | 0.827 | 71% | 0.711 | S | S | * | * | | | | 76.8 | 132.6 | 103.7 | -162.6 | 167.6 | -133.1 | 0 | 0 | 115.9 | | |
| 441 | E | 46.3 | Very low | 47.3 | Very low | 119 Ų | 119 | 139.8 Ų | 139.8 | 56% | 0.556 | 71% | 0.708 | S | S | * | * | | | cis | -116.3 | -99.8 | 12.9 | -173.2 | -154.3 | 103.4 | 0 | 0 | 113.2 | K443 | E441-K443 WeakPolarHBondContact OE1-CB 3.49Å; E441-K443 PolarHBondContact OE1-N 3.32Å |
| 442 | K | 50.3 | Low | 47.2 | Very low | 167 Ų | 167 | 141.6 Ų | 141.6 | 73% | 0.726 | 71% | 0.709 | S | S | * | * | | | cis | -144.1 | 142.4 | -8.5 | -159.6 | 106.1 | -155.2 | 73.7 | 0 | 114.4 | | |
| 443 | K | 51.1 | Low | 47 | Very low | 138 Ų | 138 | 140 Ų | 140 | 60% | 0.6 | 71% | 0.711 | S | S | * | * | | | trans | -62.1 | 165.8 | 169.1 | -94.3 | 158.3 | 153.9 | -100 | 0 | 116.2 | E441 | E441-K443 WeakPolarHBondContact OE1-CB 3.49Å; E441-K443 PolarHBondContact OE1-N 3.32Å |
| 444 | E | 48.8 | Very low | 47.4 | Very low | 134 Ų | 134 | 139 Ų | 139 | 63% | 0.626 | 71% | 0.712 | S | S | * | * | | | cis | -153.8 | 127.8 | 8.1 | -148.6 | 137.8 | 176.6 | 0 | 0 | 114.7 | | |
| 445 | E | 43.8 | Very low | 47.1 | Very low | 133 Ų | 133 | 140.1 Ų | 140.1 | 62% | 0.621 | 71% | 0.709 | S | S | * | * | | | | 41.6 | 122.7 | 129.1 | -156.1 | -160.8 | 102.9 | 0 | 0 | 124.4 | | |
| 446 | R | 44 | Very low | 46.5 | Very low | 215 Ų | 215 | 140.2 Ų | 140.2 | 81% | 0.811 | 71% | 0.71 | S | S | * | * | | | | 168.5 | 113.3 | 120.6 | -92.4 | 168.7 | -174.7 | -173.5 | 2.5 | 112.4 | | |
| 447 | E | 46.8 | Very low | 46.1 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 55% | 0.551 | 71% | 0.71 | S | S | * | * | | | | 97.7 | 95 | 71.1 | -95.8 | -113.6 | 109.1 | 0 | 0 | 114.8 | K449 | E447-K449 WeakPolarHBondContact OE1-CE 3.47Å; E447-K449 IonicContact OE1-NZ 2.64Å; E447-K449 PolarHBondContact OE1-NZ 3.41Å |
| 448 | K | 47.6 | Very low | 45.9 | Very low | 190 Ų | 190 | 136.9 Ų | 136.9 | 83% | 0.826 | 72% | 0.715 | S | S | * | * | | | trans | 160.3 | 111.2 | 136.6 | -84.2 | 149.9 | -167.2 | 169.5 | 0 | 109.3 | | |
| 449 | K | 48.8 | Very low | 45.5 | Very low | 165 Ų | 165 | 136.5 Ų | 136.5 | 72% | 0.717 | 72% | 0.719 | S | S | * | * | | | | 82.6 | 139.4 | 55.1 | -71.7 | 177 | 172.4 | 156.9 | 0 | 113.7 | E447 | E447-K449 WeakPolarHBondContact OE1-CE 3.47Å; E447-K449 IonicContact OE1-NZ 2.64Å; E447-K449 PolarHBondContact OE1-NZ 3.41Å |
| 450 | P | 50.9 | Low | 45.3 | Very low | 110 Ų | 110 | 139.7 Ų | 139.7 | 71% | 0.714 | 73% | 0.727 | S | S | * | * | | | | -145 | -175.2 | -69.3 | 33.5 | -11.1 | 0 | 0 | 0 | 115.3 | | |
| 451 | S | 49.8 | Very low | 45.4 | Very low | 109 Ų | 109 | 140.4 Ų | 140.4 | 76% | 0.762 | 73% | 0.727 | S | S | * | * | | | trans | 70.8 | 159.8 | 152.3 | 87 | 0 | 0 | 0 | 0 | 118.5 | | |
| 452 | S | 44.2 | Very low | 45.7 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 76% | 0.762 | 74% | 0.737 | S | S | * | * | | | cis | -143.1 | 163.4 | 9.6 | -65.6 | 0 | 0 | 0 | 0 | 113 | | |
| 453 | T | 38.7 | Very low | 45.8 | Very low | 137 Ų | 137 | 139.7 Ų | 139.7 | 84% | 0.84 | 74% | 0.742 | S | S | * | * | | | trans | -107.2 | -164.6 | 174.3 | 49.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 454 | P | 49.7 | Very low | 45.3 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 72% | 0.721 | 75% | 0.747 | S | S | * | * | | | | -128.4 | -160.8 | -80.1 | 39.1 | -21.7 | 0 | 0 | 0 | 113.5 | | |
| 455 | T | 40.3 | Very low | 45.6 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | | | trans | 120.1 | 105.8 | 144.5 | -43.2 | 0 | 0 | 0 | 0 | 119.8 | | |
| 456 | V | 37.1 | Very low | 46 | Very low | 120 Ų | 120 | 144.3 Ų | 144.3 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | trans | 45.8 | 120.5 | 139.1 | -173.3 | 0 | 0 | 0 | 0 | 123.2 | | |
| 457 | S | 41.9 | Very low | 46.3 | Very low | 112 Ų | 112 | 140.2 Ų | 140.2 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | | | | 172.5 | 133.3 | 125.5 | -74.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 458 | T | 40.4 | Very low | 46.4 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 73% | 0.73 | 78% | 0.777 | S | S | * | * | | | cis | 106.7 | 117 | 34.6 | -64.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 459 | L | 39.6 | Very low | 46.3 | Very low | 154 Ų | 154 | 137.9 Ų | 137.9 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | | | trans | 89.5 | 148.9 | 158.4 | -129.5 | 72.5 | 0 | 0 | 0 | 123.2 | | |
| 460 | E | 45.8 | Very low | 46 | Very low | 176 Ų | 176 | 133.7 Ų | 133.7 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | | | trans | 88.4 | 142.2 | 154.2 | -93.8 | 173.3 | 127.1 | 0 | 0 | 124.1 | | |
| 461 | K | 47 | Very low | 45.9 | Very low | 192 Ų | 192 | 138.7 Ų | 138.7 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | | | trans | -128.2 | 169.4 | 177.9 | -82.4 | -174.3 | 179.2 | -176.6 | 0 | 105.4 | | |
| 462 | P | 53.5 | Low | 45.9 | Very low | 115 Ų | 115 | 141 Ų | 141 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | | | cis | -148.2 | -169.5 | 32.3 | 43.8 | -23.2 | 0 | 0 | 0 | 115.9 | | |
| 463 | D | 51.4 | Low | 46.2 | Very low | 156 Ų | 156 | 144 Ų | 144 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | | | | -163.3 | 173.5 | 118.6 | -134.8 | -38.3 | 0 | 0 | 0 | 112.7 | | |
| 464 | V | 41.6 | Very low | 46.5 | Very low | 117 Ų | 117 | 146.6 Ų | 146.6 | 71% | 0.709 | 80% | 0.798 | S | S | * | * | | | trans | -147.6 | 130.8 | -175.2 | 175.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 465 | E | 55.7 | Low | 46.5 | Very low | 196 Ų | 196 | 145.8 Ų | 145.8 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | | | trans | -133 | 174.3 | 161.2 | -77.3 | -139.8 | 101.8 | 0 | 0 | 113.5 | | |
| 466 | K | 50.2 | Low | 46.8 | Very low | 189 Ų | 189 | 149 Ų | 149 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | | | trans | -116 | 162.1 | -164.5 | -61.2 | 163.4 | -173.2 | 164.6 | 0 | 110.4 | | |
| 467 | T | 51.4 | Low | 47.1 | Very low | 130 Ų | 130 | 151.1 Ų | 151.1 | 80% | 0.798 | 81% | 0.806 | S | S | * | * | | | | -169.6 | 133.5 | 72.8 | 46.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 468 | S | 49.3 | Very low | 47.3 | Very low | 102 Ų | 102 | 152.1 Ų | 152.1 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | | | | 86.7 | 137 | 80.2 | -158.7 | 0 | 0 | 0 | 0 | 116.1 | | |
| 469 | N | 45.7 | Very low | 47.4 | Very low | 157 Ų | 157 | 154.3 Ų | 154.3 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | | | trans | 77 | 128.9 | 176.3 | -46.8 | -6.9 | 0 | 0 | 0 | 115.6 | | |
| 470 | G | 42.8 | Very low | 48 | Very low | 77 Ų | 77 | 157 Ų | 157 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | | | cis | 141.7 | 98.9 | -19.9 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 471 | K | 48.3 | Very low | 47.9 | Very low | 214 Ų | 214 | 153.7 Ų | 153.7 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | | | trans | -161 | 158.6 | 147.4 | -125 | 175.5 | -177.3 | 179.1 | 0 | 112.1 | | |
| 472 | E | 49.2 | Very low | 47.7 | Very low | 158 Ų | 158 | 152.3 Ų | 152.3 | 74% | 0.738 | 81% | 0.806 | S | S | * | * | | | trans | -105.1 | 157 | -169.5 | -58.7 | 168.1 | 97.9 | 0 | 0 | 112.7 | | |
| 473 | N | 50.9 | Low | 47 | Very low | 171 Ų | 171 | 151.4 Ų | 151.4 | 91% | 0.914 | 81% | 0.809 | S | S | * | * | | | | -161.3 | 150.1 | 118.9 | -96.3 | -32.2 | 0 | 0 | 0 | 111.1 | | |
| 474 | K | 45.5 | Very low | 46.4 | Very low | 192 Ų | 192 | 147.2 Ų | 147.2 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | | | trans | -117.6 | 147 | -179.9 | -64.6 | 174.2 | 178.6 | 171.8 | 0 | 110.4 | | |
| 475 | A | 48.1 | Very low | 46.4 | Very low | 95 Ų | 95 | 148.7 Ų | 148.7 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | | | | -171.4 | 125.6 | 125.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 476 | K | 46.9 | Very low | 45.6 | Very low | 186 Ų | 186 | 145.6 Ų | 145.6 | 81% | 0.809 | 81% | 0.807 | S | S | * | * | | | trans | 20.2 | 128.2 | 144.6 | -58.6 | -176.9 | 176.7 | -171.2 | 0 | 120 | | |
| 477 | E | 44 | Very low | 45.6 | Very low | 165 Ų | 165 | 142.6 Ų | 142.6 | 77% | 0.771 | 81% | 0.806 | S | S | * | * | | | | 70 | 102.2 | 51.7 | -171.4 | -170 | -149.7 | 0 | 0 | 113.5 | | |
| 478 | T | 45.3 | Very low | 45 | Very low | 133 Ų | 133 | 144.5 Ų | 144.5 | 82% | 0.816 | 81% | 0.807 | S | S | * | * | | | | -179.7 | 122.7 | 114.6 | 39.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 479 | E | 43.5 | Very low | 44.6 | Very low | 166 Ų | 166 | 149.8 Ų | 149.8 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | | | trans | -12.1 | 144.1 | 149.2 | -178.1 | -177.6 | -173.5 | 0 | 0 | 119.8 | V481 | E479-V481 HydrophobicContact CG-CG2 4.32Š|
| 480 | K | 52.6 | Low | 44.4 | Very low | 211 Ų | 211 | 149.1 Ų | 149.1 | 92% | 0.917 | 81% | 0.807 | S | S | * | * | | | trans | -144.7 | 153.6 | 148.3 | -92.3 | -157.1 | 174.8 | -173.2 | 0 | 112.6 | | |
| 481 | V | 42.6 | Very low | 44.5 | Very low | 105 Ų | 105 | 150.9 Ų | 150.9 | 64% | 0.636 | 81% | 0.807 | S | S | * | * | | | trans | -117.9 | 141.8 | -167.5 | 169.4 | 0 | 0 | 0 | 0 | 111.9 | E479 | E479-V481 HydrophobicContact CG-CG2 4.32Š|
| 482 | I | 42.7 | Very low | 44 | Very low | 163 Ų | 163 | 148.4 Ų | 148.4 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | | | trans | 11.4 | 143.1 | 150.9 | -46.6 | 168.3 | 0 | 0 | 0 | 119.5 | | |
| 483 | A | 39.4 | Very low | 44.1 | Very low | 96 Ų | 96 | 150.9 Ų | 150.9 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | | | trans | 104 | 104.3 | 153.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 484 | G | 38.5 | Very low | 43.6 | Very low | 69 Ų | 69 | 151.7 Ų | 151.7 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | | | | 104 | 152.1 | 102.8 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 485 | T | 41.3 | Very low | 43.7 | Very low | 147 Ų | 147 | 150.6 Ų | 150.6 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | | | trans | 70 | 123.9 | 159.5 | 42.5 | 0 | 0 | 0 | 0 | 121.8 | | |
| 486 | T | 40.2 | Very low | 43.5 | Very low | 132 Ų | 132 | 154.4 Ų | 154.4 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | | | trans | -71.5 | 170.2 | 164.4 | -22.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 487 | P | 49.8 | Very low | 43.5 | Very low | 125 Ų | 125 | 151.1 Ų | 151.1 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | | | | -143.6 | 159.9 | 122.8 | 38.8 | -26.4 | 0 | 0 | 0 | 116.1 | | |
| 488 | E | 37.8 | Very low | 43.9 | Very low | 171 Ų | 171 | 149 Ų | 149 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | | | trans | -110.3 | 152.1 | 169.8 | -175.3 | -141.2 | 135.4 | 0 | 0 | 109.4 | | |
| 489 | R | 40.8 | Very low | 43.7 | Very low | 213 Ų | 213 | 148.7 Ų | 148.7 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | 164 | 131.7 | 142.1 | -94.1 | 174.2 | 164 | -177.9 | -4.2 | 116.6 | | |
| 490 | L | 42.6 | Very low | 43.7 | Very low | 143 Ų | 143 | 149.8 Ų | 149.8 | 75% | 0.749 | 80% | 0.803 | S | S | * | * | | | trans | 53.8 | 136 | 132.2 | -54.8 | 169.2 | 0 | 0 | 0 | 120.2 | | |
| 491 | S | 44.3 | Very low | 43.2 | Very low | 114 Ų | 114 | 145.6 Ų | 145.6 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | | | | 178.2 | 173 | 50.5 | 39 | 0 | 0 | 0 | 0 | 112.8 | | |
| 492 | N | 39.2 | Very low | 43.7 | Very low | 162 Ų | 162 | 145.4 Ų | 145.4 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | | | trans | -108 | 158 | -170.9 | -59 | -39.8 | 0 | 0 | 0 | 116 | | |
| 493 | K | 50 | Low | 43.6 | Very low | 210 Ų | 210 | 143.8 Ų | 143.8 | 91% | 0.913 | 79% | 0.793 | S | S | * | * | | | trans | -162.1 | 177.6 | 143.4 | -120.9 | -175.4 | 178 | -163.6 | 0 | 115.8 | | |
| 494 | K | 40 | Very low | 44.2 | Very low | 187 Ų | 187 | 144.6 Ų | 144.6 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | | | trans | -156.2 | 149.3 | -154.3 | 162.7 | -170 | 173.5 | -174.1 | 0 | 112.2 | | |
| 495 | E | 47.3 | Very low | 44.2 | Very low | 170 Ų | 170 | 146.1 Ų | 146.1 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | | | trans | 160.5 | 160.3 | 159.2 | -93.2 | 157.1 | 171.3 | 0 | 0 | 110 | | |
| 496 | E | 44 | Very low | 44.2 | Very low | 174 Ų | 174 | 143.6 Ų | 143.6 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | | | cis | -159.9 | -178.6 | -39 | -155.5 | 169.8 | 118.8 | 0 | 0 | 110.2 | | |
| 497 | T | 47.9 | Very low | 44.3 | Very low | 117 Ų | 117 | 143 Ų | 143 | 72% | 0.718 | 79% | 0.792 | S | S | * | * | | | trans | -119.6 | 175.4 | -173.3 | 65.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 498 | P | 51.7 | Low | 44.4 | Very low | 120 Ų | 120 | 143 Ų | 143 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | | | | -163 | 142.6 | 101.8 | 39.5 | -17.6 | 0 | 0 | 0 | 121.7 | | |
| 499 | V | 40.9 | Very low | 44.7 | Very low | 128 Ų | 128 | 139.7 Ų | 139.7 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | | | trans | 22.9 | 145.6 | 135.7 | -165.1 | 0 | 0 | 0 | 0 | 125.6 | | |
| 500 | K | 44.9 | Very low | 44.9 | Very low | 188 Ų | 188 | 137.7 Ų | 137.7 | 82% | 0.817 | 79% | 0.791 | S | S | * | * | | | trans | 129 | 119.6 | 134.1 | -132.2 | 154.7 | -172.5 | 169 | 0 | 115.9 | | |
| 501 | V | 41.9 | Very low | 45.2 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 75% | 0.745 | 79% | 0.793 | S | S | * | * | | | cis | 97.9 | 143.3 | 40.9 | 159.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 502 | P | 52.1 | Low | 45.1 | Very low | 101 Ų | 101 | 137.3 Ų | 137.3 | 66% | 0.656 | 79% | 0.793 | S | S | * | * | | | cis | -150.3 | -178.4 | -29.9 | 45.9 | -25.3 | 0 | 0 | 0 | 118.7 | | |
| 503 | T | 42.2 | Very low | 45.3 | Very low | 129 Ų | 129 | 138.6 Ų | 138.6 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | | | trans | 49.4 | 178.3 | 149.6 | 19.6 | 0 | 0 | 0 | 0 | 124.1 | | |
| 504 | P | 50.3 | Low | 44.9 | Very low | 113 Ų | 113 | 133.3 Ų | 133.3 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | | | cis | -142 | 165.1 | -20.4 | 35.2 | -14.2 | 0 | 0 | 0 | 120.1 | | |
| 505 | A | 39.1 | Very low | 44.9 | Very low | 101 Ų | 101 | 131.5 Ų | 131.5 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | | | trans | 75.8 | 157.5 | 134.9 | 0 | 0 | 0 | 0 | 0 | 127.1 | | |
| 506 | A | 41.2 | Very low | 45.3 | Very low | 95 Ų | 95 | 129.6 Ų | 129.6 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | | | trans | 94.2 | 141.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 507 | S | 41.4 | Very low | 45.2 | Very low | 119 Ų | 119 | 125.5 Ų | 125.5 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | | | cis | -166 | 166.2 | -15.2 | -100.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 508 | P | 53.7 | Low | 45 | Very low | 126 Ų | 126 | 126.1 Ų | 126.1 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -115.7 | 159.8 | -159.4 | 41.2 | -34.3 | 0 | 0 | 0 | 118.7 | | |
| 509 | A | 42.3 | Very low | 44.5 | Very low | 101 Ų | 101 | 123.7 Ų | 123.7 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | | | trans | -175.1 | 159 | 161 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 510 | K | 46.5 | Very low | 44.5 | Very low | 171 Ų | 171 | 127.8 Ų | 127.8 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | | | cis | -176.1 | 139.7 | -36.3 | -142.6 | 175.7 | 177.3 | -177.1 | 0 | 111.7 | | |
| 511 | H | 48.3 | Very low | 44.3 | Very low | 172 Ų | 172 | 125.6 Ų | 125.6 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | | | trans | 66.7 | 154.9 | 172.6 | -48 | -69.7 | 0 | 0 | 0 | 116.2 | | |
| 512 | G | 41.3 | Very low | 44.5 | Very low | 76 Ų | 76 | 124.9 Ų | 124.9 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | | | cis | 172.9 | 178.4 | -1.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 513 | K | 43.9 | Very low | 44.1 | Very low | 190 Ų | 190 | 124.7 Ų | 124.7 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | | | cis | -174.9 | 158.5 | 4 | -159 | -165.7 | 179.4 | -172.5 | 0 | 111 | | |
| 514 | T | 41.3 | Very low | 43.9 | Very low | 98 Ų | 98 | 130 Ų | 130 | 60% | 0.601 | 80% | 0.796 | S | S | * | * | | | trans | 72.8 | 99.6 | 152.9 | 30.8 | 0 | 0 | 0 | 0 | 123 | | |
| 515 | D | 40.8 | Very low | 43.5 | Very low | 149 Ų | 149 | 134.1 Ų | 134.1 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | | | | 72.7 | 137.2 | 114.2 | -54.2 | -2.5 | 0 | 0 | 0 | 125.7 | | |
| 516 | P | 55.4 | Low | 43.4 | Very low | 130 Ų | 130 | 137.4 Ų | 137.4 | 84% | 0.844 | 80% | 0.801 | S | S | * | * | | | trans | -113.1 | 179.5 | 171.5 | 43.5 | -35.1 | 0 | 0 | 0 | 114.8 | | |
| 517 | A | 41.6 | Very low | 43.6 | Very low | 89 Ų | 89 | 138.5 Ų | 138.5 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | | | trans | -162.8 | 130 | 163.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 518 | S | 44.4 | Very low | 43.8 | Very low | 129 Ų | 129 | 141.7 Ų | 141.7 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | | | trans | 62.9 | 149.9 | 150.2 | 69.2 | 0 | 0 | 0 | 0 | 121.9 | | |
| 519 | G | 40.7 | Very low | 43 | Very low | 69 Ų | 69 | 144 Ų | 144 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | | | cis | 153 | 156.7 | -15.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 520 | K | 41.1 | Very low | 43.2 | Very low | 215 Ų | 215 | 144.6 Ų | 144.6 | 94% | 0.935 | 80% | 0.8 | S | S | * | * | | | trans | 83.9 | 163 | 163.5 | -60.9 | -167.2 | 174.1 | -171.7 | 0 | 120 | | |
| 521 | T | 41.6 | Very low | 42.9 | Very low | 142 Ų | 142 | 147.8 Ų | 147.8 | 87% | 0.871 | 81% | 0.807 | S | S | * | * | | | trans | -134.8 | 164.5 | -155.4 | 50.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 522 | S | 44.3 | Very low | 42.7 | Very low | 107 Ų | 107 | 147.4 Ų | 147.4 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | | | trans | -163.6 | 127 | 158 | -157.9 | 0 | 0 | 0 | 0 | 116.6 | | |
| 523 | S | 43.8 | Very low | 43 | Very low | 98 Ų | 98 | 150.4 Ų | 150.4 | 69% | 0.685 | 80% | 0.804 | S | S | * | * | | | trans | 45 | 103.4 | 139.6 | 66.4 | 0 | 0 | 0 | 0 | 123.9 | | |
| 524 | R | 38.6 | Very low | 42.8 | Very low | 239 Ų | 239 | 145.4 Ų | 145.4 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | | | | 46.1 | 116.7 | 104.8 | -161.6 | -174.5 | -145.9 | -175.2 | 8.9 | 120.1 | | |
| 525 | Q | 42.4 | Very low | 43.2 | Very low | 200 Ų | 200 | 147.5 Ų | 147.5 | 94% | 0.935 | 81% | 0.81 | S | S | * | * | | | trans | -152.3 | 155.2 | 153.4 | -114 | -177.4 | 11 | 0 | 0 | 112.9 | | |
| 526 | K | 37 | Very low | 43.3 | Very low | 171 Ų | 171 | 146.5 Ų | 146.5 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | | | trans | -170.3 | 156.2 | -176.7 | -170.9 | 170.7 | -172.3 | 165.1 | 0 | 108.5 | | |
| 527 | P | 45.8 | Very low | 42.9 | Very low | 117 Ų | 117 | 149.6 Ų | 149.6 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | | | cis | -110.4 | -170.3 | -43.6 | 39.8 | -26.7 | 0 | 0 | 0 | 111.1 | | |
| 528 | Q | 45.3 | Very low | 42.9 | Very low | 187 Ų | 187 | 149.4 Ų | 149.4 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | | | trans | -135.1 | 141 | 157.7 | -77 | -164.8 | -1.3 | 0 | 0 | 111.8 | | |
| 529 | L | 36.9 | Very low | 42.7 | Very low | 174 Ų | 174 | 150.1 Ų | 150.1 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | | | trans | -128.6 | 118.6 | 169.1 | -172.2 | 87.8 | 0 | 0 | 0 | 107.3 | | |
| 530 | T | 46.4 | Very low | 43 | Very low | 113 Ų | 113 | 156 Ų | 156 | 69% | 0.693 | 81% | 0.809 | S | S | * | * | | | trans | -97.7 | 128.7 | -169.2 | -30.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 531 | R | 39.9 | Very low | 43.2 | Very low | 239 Ų | 239 | 153.7 Ų | 153.7 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | | | trans | -104.3 | 128.5 | 167.6 | -80.5 | -178.5 | 168.4 | -173.3 | -3.2 | 110 | | |
| 532 | Q | 45.1 | Very low | 43.4 | Very low | 163 Ų | 163 | 154.4 Ų | 154.4 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | | | trans | -167 | 140.1 | 166 | -98 | 157.3 | -25.2 | 0 | 0 | 105.2 | | |
| 533 | D | 45.7 | Very low | 43.3 | Very low | 139 Ų | 139 | 154.3 Ų | 154.3 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | | | cis | -133.6 | 155.3 | -0.5 | -75.8 | -58.7 | 0 | 0 | 0 | 107.8 | | |
| 534 | A | 40 | Very low | 43.2 | Very low | 86 Ų | 86 | 160.1 Ų | 160.1 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | | | cis | 75.4 | 109 | 39.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 535 | V | 49.9 | Very low | 43.5 | Very low | 141 Ų | 141 | 156.2 Ų | 156.2 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | | | trans | 179.4 | 146.1 | 139.5 | 146.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 536 | D | 44.1 | Very low | 43.4 | Very low | 129 Ų | 129 | 150.9 Ų | 150.9 | 69% | 0.69 | 80% | 0.796 | S | S | * | * | | | trans | -72.6 | 151.5 | -168.6 | -51.1 | -98.6 | 0 | 0 | 0 | 116.4 | | |
| 537 | H | 45.9 | Very low | 44 | Very low | 195 Ų | 195 | 152.8 Ų | 152.8 | 90% | 0.903 | 80% | 0.804 | S | S | * | * | | | | -173.4 | 170.2 | 96.7 | -100.9 | -71.3 | 0 | 0 | 0 | 112.8 | | |
| 538 | A | 41.2 | Very low | 43.8 | Very low | 85 Ų | 85 | 153.8 Ų | 153.8 | 70% | 0.702 | 81% | 0.809 | S | S | * | * | | | trans | -127.3 | 169.3 | -164.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 539 | D | 40.2 | Very low | 43.7 | Very low | 143 Ų | 143 | 150.2 Ų | 150.2 | 77% | 0.765 | 80% | 0.804 | S | S | * | * | | | trans | 53.8 | 112.5 | 169.6 | -85.3 | -48.4 | 0 | 0 | 0 | 118.5 | | |
| 540 | E | 47.9 | Very low | 44.1 | Very low | 193 Ų | 193 | 148.9 Ų | 148.9 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | | | | -161 | -176.1 | 86.4 | -120.5 | -167 | 143.1 | 0 | 0 | 111.9 | | |
| 541 | K | 45.7 | Very low | 44.3 | Very low | 166 Ų | 166 | 152.8 Ų | 152.8 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | | | trans | -106 | 154.9 | -163.8 | -63.1 | 175.4 | -176.8 | 171.6 | 0 | 114.8 | | |
| 542 | N | 44.5 | Very low | 44.9 | Very low | 157 Ų | 157 | 146.7 Ų | 146.7 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | | | trans | 93.5 | 156.2 | 157.9 | -51.3 | -56.4 | 0 | 0 | 0 | 119 | | |
| 543 | S | 43 | Very low | 45.3 | Very low | 106 Ų | 106 | 147.4 Ų | 147.4 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | | | trans | 76.4 | 101.8 | 171.8 | -146.9 | 0 | 0 | 0 | 0 | 117.1 | | |
| 544 | K | 40.9 | Very low | 45.9 | Very low | 220 Ų | 220 | 146 Ų | 146 | 96% | 0.957 | 81% | 0.807 | S | S | * | * | | | trans | -71.7 | 125.1 | 164.6 | -74.8 | -175.5 | 174.6 | -175.7 | 0 | 109 | | |
| 545 | L | 46 | Very low | 46.9 | Very low | 157 Ų | 157 | 150.2 Ų | 150.2 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | | | trans | -138.4 | 141 | 176.9 | -134 | 157.3 | 0 | 0 | 0 | 109.8 | | |
| 546 | A | 40.7 | Very low | 47.5 | Very low | 88 Ų | 88 | 153.8 Ų | 153.8 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | | | trans | -68.6 | 152.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 547 | K | 48.5 | Very low | 48.4 | Very low | 210 Ų | 210 | 152.6 Ų | 152.6 | 91% | 0.913 | 81% | 0.813 | S | S | * | * | | | trans | -136.4 | 130.7 | 154.8 | -70.8 | -169.9 | 177.9 | 178.8 | 0 | 109.4 | | |
| 548 | T | 41.2 | Very low | 49.5 | Very low | 139 Ų | 139 | 146.2 Ų | 146.2 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | | | trans | -80.7 | 146.6 | -177.7 | 43.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 549 | S | 43.3 | Very low | 51.1 | Low | 111 Ų | 111 | 149.5 Ų | 149.5 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | | | trans | -140.8 | 101.6 | 167 | -172.1 | 0 | 0 | 0 | 0 | 109.1 | K551 | S549-K551 VanDerWaalsContact C-N 3.32Å; S549-K551 PolarHBondContact O-N 3.4Å |
| 550 | T | 45.6 | Very low | 52.7 | Low | 146 Ų | 146 | 148.4 Ų | 148.4 | 90% | 0.896 | 78% | 0.778 | S | S | * | * | | | trans | -76.6 | 83.2 | 176.5 | 45 | 0 | 0 | 0 | 0 | 109.5 | | |
| 551 | K | 51.9 | Low | 54.1 | Low | 195 Ų | 195 | 144 Ų | 144 | 85% | 0.848 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 120.4 | 173.5 | -160.7 | 170.1 | -174.2 | 177.6 | 0 | 108.6 | S549 Q553 | S549-K551 VanDerWaalsContact C-N 3.32Å; S549-K551 PolarHBondContact O-N 3.4Å; K551-Q553 PolarHBondContact O-N 3.05Å |
| 552 | S | 51.6 | Low | 55.6 | Low | 111 Ų | 111 | 143.8 Ų | 143.8 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 132.4 | -176.7 | 42.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 553 | Q | 54.4 | Low | 57.3 | Low | 178 Ų | 178 | 138.7 Ų | 138.7 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 129.2 | 172.7 | -178.3 | 177.5 | -1.1 | 0 | 0 | 109.1 | K551 Q555 | K551-Q553 PolarHBondContact O-N 3.05Å; Q553-Q555 PolarHBondContact O-N 2.75Å |
| 554 | P | 58.1 | Low | 59.1 | Low | 109 Ų | 109 | 139 Ų | 139 | 71% | 0.708 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 126.5 | 170.7 | 27.5 | -32.6 | 0 | 0 | 0 | 108.7 | K556 | P554-K556 PolarHBondContact O-N 3.4Š|
| 555 | Q | 60.3 | Low | 60.8 | Low | 176 Ų | 176 | 133 Ų | 133 | 82% | 0.822 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 131.7 | 165.8 | -72.9 | -179.2 | -47 | 0 | 0 | 108 | Q553 T557 | Q553-Q555 PolarHBondContact O-N 2.75Å; Q555-T557 PolarHBondContact O-N 2.75Å |
| 556 | K | 62.1 | Low | 62.3 | Low | 215 Ų | 215 | 133.9 Ų | 133.9 | 94% | 0.935 | 71% | 0.71 | S | S | * | * | | | trans | -69.9 | 80.8 | 168.6 | -71.2 | -169.7 | 174.9 | -168.6 | 0 | 108.5 | P554 S558 | P554-K556 PolarHBondContact O-N 3.4Å; K556-S558 PolarHBondContact O-N 2.78Å; K556-S558 VanDerWaalsContact O-N 3.12Å |
| 557 | T | 63.1 | Low | 63.9 | Low | 105 Ų | 105 | 135.6 Ų | 135.6 | 64% | 0.644 | 70% | 0.702 | S | S | * | * | | | trans | -62.6 | 112.1 | 165 | 38.9 | 0 | 0 | 0 | 0 | 107.3 | Q555 F559 | Q555-T557 PolarHBondContact O-N 2.75Å; T557-F559 PolarHBondContact O-N 3.34Å |
| 558 | S | 68.7 | Low | 65.4 | Low | 61 Ų | 61 | 131.3 Ų | 131.3 | 43% | 0.427 | 72% | 0.717 | S | S | . | * | | | trans | -52.2 | 139.2 | -177.9 | 179.8 | 0 | 0 | 0 | 0 | 110.4 | K556 F560 N561 K562 | K556-S558 PolarHBondContact O-N 2.78Å; K556-S558 VanDerWaalsContact O-N 3.12Å; S558-F560 PolarHBondContact O-N 3Å; S558-F560 VanDerWaalsContact O-N 3.1Å; S558-N561 PolarHBondContact O-N 2.69Å; S558-K562 PolarHBondContact O-N 2.92Å |
| 559 | F | 75.4 | Confident | 66.6 | Low | 154 Ų | 154 | 131 Ų | 131 | 68% | 0.675 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -50 | -38.4 | 178.1 | -176.1 | -96.7 | 0 | 0 | 0 | 111.4 | T557 N561 K562 V563 | T557-F559 PolarHBondContact O-N 3.34Å; F559-N561 PolarHBondContact O-N 3.04Å; F559-K562 WeakPolarHBondContact O-CB 3.48Å; F559-K562 PolarHBondContact O-N 3.04Å; F559-V563 HydrophobicContact CD1-CG2 3.84Å; F559-V563 HydrophobicContact CE1-CG2 3.55Å; F559-V563 HydrophobicContact CZ-CG2 4.07Å; F559-V563 WeakPolarHBondContact O-CG2 3.08Å; F559-V563 PolarHBondContact O-N 2.8Å |
| 560 | F | 74.6 | Confident | 67.8 | Low | 120 Ų | 120 | 132 Ų | 132 | 53% | 0.526 | 71% | 0.707 | S | S | . | * | H | α-helix | trans | -54.6 | -42.9 | 173.2 | -75.2 | -86.8 | 0 | 0 | 0 | 114 | F334 S558 K562 V563 L564 | F334-F560 HydrophobicContact CE2-CZ 4.08Å; F334-F560 HydrophobicContact CZ-CZ 4.06Å; S558-F560 PolarHBondContact O-N 3Å; S558-F560 VanDerWaalsContact O-N 3.1Å; F560-K562 VanDerWaalsContact C-N 3.3Å; F560-K562 PolarHBondContact O-N 2.99Å; F560-V563 PolarHBondContact O-N 3.47Å; F560-L564 WeakPolarHBondContact O-CB 3.25Å; F560-L564 VanDerWaalsContact O-CG 3.24Å; F560-L564 WeakPolarHBondContact O-CG 3.48Å; F560-L564 PolarHBondContact O-N 2.83Å |
| 561 | N | 77.1 | Confident | 69 | Low | 101 Ų | 101 | 131.2 Ų | 131.2 | 54% | 0.54 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -68.7 | -30.8 | 177.1 | -75.1 | 8.8 | 0 | 0 | 0 | 111.9 | S558 F559 S565 | S558-N561 PolarHBondContact O-N 2.69Å; F559-N561 PolarHBondContact O-N 3.04Å; N561-S565 WeakPolarHBondContact O-CB 3.36Å; N561-S565 PolarHBondContact O-N 2.74Å |
| 562 | K | 77.5 | Confident | 70 | Confident | 160 Ų | 160 | 127.5 Ų | 127.5 | 70% | 0.696 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -73.8 | -33.7 | 176.4 | -159 | 179.5 | -178.3 | -171.6 | 0 | 111.8 | S558 F559 F560 F566 | S558-K562 PolarHBondContact O-N 2.92Å; F559-K562 WeakPolarHBondContact O-CB 3.48Å; F559-K562 PolarHBondContact O-N 3.04Å; F560-K562 VanDerWaalsContact C-N 3.3Å; F560-K562 PolarHBondContact O-N 2.99Å; K562-F566 PolarHBondContact O-N 3.28Å |
| 563 | V | 79.3 | Confident | 71.2 | Confident | 50 Ų | 50 | 128.5 Ų | 128.5 | 30% | 0.303 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -70.9 | -49.4 | 171.7 | 174.1 | 0 | 0 | 0 | 0 | 111 | F559 F560 S565 F566 F567 | F559-V563 HydrophobicContact CD1-CG2 3.84Å; F559-V563 HydrophobicContact CE1-CG2 3.55Å; F559-V563 HydrophobicContact CZ-CG2 4.07Å; F559-V563 WeakPolarHBondContact O-CG2 3.08Å; F559-V563 PolarHBondContact O-N 2.8Å; F560-V563 PolarHBondContact O-N 3.47Å; V563-S565 VanDerWaalsContact C-N 3.32Å; V563-S565 PolarHBondContact O-N 3.35Å; V563-F566 WeakPolarHBondContact O-CB 3.15Å; V563-F566 PolarHBondContact O-N 2.98Å; V563-F567 HydrophobicContact CG1-CD2 4.04Å; V563-F567 HydrophobicContact CG1-CE2 4.2Å; V563-F567 WeakPolarHBondContact O-CD2 3.48Å; V563-F567 PolarHBondContact O-N 3.44Å |
| 564 | L | 80.2 | Confident | 72.3 | Confident | 114 Ų | 114 | 125.2 Ų | 125.2 | 60% | 0.597 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -59 | -42.6 | 178.2 | -71.9 | 168.1 | 0 | 0 | 0 | 111.7 | F560 F566 F567 G568 | F560-L564 WeakPolarHBondContact O-CB 3.25Å; F560-L564 VanDerWaalsContact O-CG 3.24Å; F560-L564 WeakPolarHBondContact O-CG 3.48Å; F560-L564 PolarHBondContact O-N 2.83Å; L564-F566 PolarHBondContact O-N 3Å; L564-F567 PolarHBondContact O-N 2.76Å; L564-G568 PolarHBondContact O-N 2.8Å; L564-G568 VanDerWaalsContact O-N 3.15Å |
| 565 | S | 77.3 | Confident | 73.3 | Confident | 94 Ų | 94 | 126.4 Ų | 126.4 | 66% | 0.657 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -74.2 | 4.3 | 175.8 | -170.7 | 0 | 0 | 0 | 0 | 114.8 | N561 V563 | N561-S565 WeakPolarHBondContact O-CB 3.36Å; N561-S565 PolarHBondContact O-N 2.74Å; V563-S565 VanDerWaalsContact C-N 3.32Å; V563-S565 PolarHBondContact O-N 3.35Å |
| 566 | F | 78.3 | Confident | 74.3 | Confident | 174 Ų | 174 | 122.5 Ų | 122.5 | 76% | 0.763 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -106.6 | -17.4 | 169.7 | -172.5 | -93.9 | 0 | 0 | 0 | 112.2 | K562 V563 L564 | K562-F566 PolarHBondContact O-N 3.28Å; V563-F566 WeakPolarHBondContact O-CB 3.15Å; V563-F566 PolarHBondContact O-N 2.98Å; L564-F566 PolarHBondContact O-N 3Å |
| 567 | F | 74.3 | Confident | 75.4 | Confident | 125 Ų | 125 | 114.8 Ų | 114.8 | 55% | 0.548 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -104.8 | -11.4 | -180 | -84.4 | -77.9 | 0 | 0 | 0 | 114.4 | F326 V563 L564 | F326-F567 HydrophobicContact CE1-CE2 4.44Å; F326-F567 HydrophobicContact CE1-CZ 4.36Å; V563-F567 HydrophobicContact CG1-CD2 4.04Å; V563-F567 HydrophobicContact CG1-CE2 4.2Å; V563-F567 WeakPolarHBondContact O-CD2 3.48Å; V563-F567 PolarHBondContact O-N 3.44Å; L564-F567 PolarHBondContact O-N 2.76Å |
| 568 | G | 78.5 | Confident | 76.5 | Confident | 120 Ų | 120 | 115.7 Ų | 115.7 | 100% | 1.237 | 63% | 0.634 | S | S | * | * | | | trans | -110.2 | 0 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L564 | L564-G568 PolarHBondContact O-N 2.8Å; L564-G568 VanDerWaalsContact O-N 3.15Å |