| 1 | M | 37.4 | Very low | 41.8 | Very low | 224 Ų | 224 | 140.4 Ų | 140.4 | 100% | 1.103 | 80% | 0.797 | S | S | * | * | | | | 0 | 90 | 0 | -63.3 | 173.4 | 77.9 | 0 | 0 | 106.9 | | |
| 2 | T | 45.8 | Very low | 42.5 | Very low | 107 Ų | 107 | 145.3 Ų | 145.3 | 66% | 0.656 | 81% | 0.807 | S | S | * | * | | | cis | 56.3 | 136.7 | 22.2 | 71.3 | 0 | 0 | 0 | 0 | 112 | | |
| 3 | H | 40.1 | Very low | 42.8 | Very low | 177 Ų | 177 | 147.7 Ų | 147.7 | 82% | 0.819 | 80% | 0.804 | S | S | * | * | | | cis | -129.3 | 172.4 | 16.9 | -60.7 | -103.4 | 0 | 0 | 0 | 109.4 | | |
| 4 | G | 38.2 | Very low | 42.9 | Very low | 79 Ų | 79 | 148.5 Ų | 148.5 | 81% | 0.814 | 81% | 0.808 | S | S | * | * | | | cis | 122.7 | 104 | 0.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 5 | E | 42.3 | Very low | 42.9 | Very low | 194 Ų | 194 | 147.1 Ų | 147.1 | 91% | 0.907 | 81% | 0.813 | S | S | * | * | | | trans | -137.8 | 137.5 | 169.4 | -175.6 | 171.9 | -153.7 | 0 | 0 | 108 | | |
| 6 | E | 37.2 | Very low | 43.1 | Very low | 171 Ų | 171 | 143.6 Ų | 143.6 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | | | trans | -103.6 | 130.4 | -173.9 | -76.9 | -137.7 | 147.6 | 0 | 0 | 113.3 | | |
| 7 | P | 51.4 | Low | 43.4 | Very low | 128 Ų | 128 | 142.6 Ų | 142.6 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | | | trans | -78.2 | 113.5 | 146.9 | -2.9 | 22.2 | 0 | 0 | 0 | 108.6 | | |
| 8 | G | 37.5 | Very low | 43.4 | Very low | 53 Ų | 53 | 144.5 Ų | 144.5 | 55% | 0.546 | 81% | 0.813 | S | S | . | * | | | trans | -65.6 | 169.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | E10 | G8-E10 PolarHBondContact O-N 2.91Å; G8-E10 VanDerWaalsContact O-N 3.15Å |
| 9 | P | 45.1 | Very low | 43.7 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | | | trans | -72.2 | 107.6 | -167.3 | 27.9 | -35.6 | 0 | 0 | 0 | 113.7 | T11 | P9-T11 PolarHBondContact O-N 2.89Š|
| 10 | E | 39.6 | Very low | 43.7 | Very low | 189 Ų | 189 | 146.8 Ų | 146.8 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | | | trans | -66.6 | 107 | 164.8 | -173.4 | 170.3 | -166.8 | 0 | 0 | 109.5 | G8 H12 | G8-E10 PolarHBondContact O-N 2.91Å; G8-E10 VanDerWaalsContact O-N 3.15Å; E10-H12 PolarHBondContact O-N 3.45Å |
| 11 | T | 45.7 | Very low | 43.8 | Very low | 102 Ų | 102 | 147.8 Ų | 147.8 | 63% | 0.626 | 81% | 0.814 | S | S | * | * | | | trans | -74.9 | 118.1 | -170.7 | 60 | 0 | 0 | 0 | 0 | 112.4 | P9 K13 | P9-T11 PolarHBondContact O-N 2.89Å; T11-K13 PolarHBondContact O-N 2.85Å; T11-K13 VanDerWaalsContact O-N 3.16Å |
| 12 | H | 49.5 | Very low | 44.2 | Very low | 199 Ų | 199 | 145.2 Ų | 145.2 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | | | trans | -48.3 | 117.7 | 167.3 | -74.9 | -96.5 | 0 | 0 | 0 | 111.7 | E10 | E10-H12 PolarHBondContact O-N 3.45Š|
| 13 | K | 47 | Very low | 44.2 | Very low | 177 Ų | 177 | 143.7 Ų | 143.7 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | | | trans | -136.8 | 17.6 | 176.6 | -79.7 | -161.6 | 174.4 | -176.5 | 0 | 116.2 | T11 | T11-K13 PolarHBondContact O-N 2.85Å; T11-K13 VanDerWaalsContact O-N 3.16Å |
| 14 | D | 43.5 | Very low | 44.6 | Very low | 159 Ų | 159 | 142.8 Ų | 142.8 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | | | trans | -109.4 | 70 | 174.6 | -77 | -56.9 | 0 | 0 | 0 | 112.4 | | |
| 15 | S | 43.7 | Very low | 45.2 | Very low | 128 Ų | 128 | 146.4 Ų | 146.4 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -155.9 | 39.5 | 174.4 | -68.6 | 0 | 0 | 0 | 0 | 113 | | |
| 16 | A | 45.5 | Very low | 45.2 | Very low | 90 Ų | 90 | 145 Ų | 145 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -146.9 | 15.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 17 | V | 48 | Very low | 45.7 | Very low | 127 Ų | 127 | 145.7 Ų | 145.7 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -117.4 | -14.7 | -171.7 | -173.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 18 | L | 43.2 | Very low | 45.4 | Very low | 177 Ų | 177 | 145.1 Ų | 145.1 | 93% | 0.927 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.1 | 51.3 | -176.3 | -70.4 | 172.9 | 0 | 0 | 0 | 113.2 | | |
| 19 | T | 48.8 | Very low | 45.3 | Very low | 118 Ų | 118 | 146.1 Ų | 146.1 | 72% | 0.724 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.7 | 5.7 | 177.4 | -31.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 20 | Y | 45 | Very low | 45.1 | Very low | 217 Ų | 217 | 146.8 Ų | 146.8 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -104.4 | 4.9 | -174.9 | -146.8 | -97.4 | 0 | 0 | 0 | 115.3 | | |
| 21 | L | 45.2 | Very low | 45 | Very low | 167 Ų | 167 | 140.1 Ų | 140.1 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -117.1 | -2.9 | -178.5 | -72.2 | 173.5 | 0 | 0 | 0 | 114.9 | | |
| 22 | E | 46.2 | Very low | 44.5 | Very low | 170 Ų | 170 | 138.7 Ų | 138.7 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -89.3 | -16 | 179.3 | -162.5 | 169.7 | -171.2 | 0 | 0 | 113.1 | L24 | E22-L24 PolarHBondContact O-N 3.32Š|
| 23 | G | 45.5 | Very low | 44.1 | Very low | 75 Ų | 75 | 135.1 Ų | 135.1 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -6.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 24 | L | 48.3 | Very low | 43.4 | Very low | 158 Ų | 158 | 129.6 Ų | 129.6 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | 3.2 | -165.5 | -81 | 171.1 | 0 | 0 | 0 | 116.4 | E22 | E22-L24 PolarHBondContact O-N 3.32Š|
| 25 | L | 51.5 | Low | 43.2 | Very low | 156 Ų | 156 | 126.3 Ų | 126.3 | 82% | 0.817 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -116.9 | 13.4 | -165.2 | -145.7 | 72.4 | 0 | 0 | 0 | 116.9 | | |
| 26 | M | 42.1 | Very low | 42.9 | Very low | 165 Ų | 165 | 127 Ų | 127 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | | | trans | -134.1 | 69 | -171.7 | -71.9 | -61.2 | -63.6 | 0 | 0 | 115.4 | | |
| 27 | H | 48.4 | Very low | 42.2 | Very low | 184 Ų | 184 | 127.4 Ų | 127.4 | 85% | 0.852 | 76% | 0.764 | S | S | * | * | | | trans | -128.2 | 111.9 | 161.1 | -78.7 | -7.3 | 0 | 0 | 0 | 110.9 | | |
| 28 | P | 43.8 | Very low | 41.3 | Very low | 116 Ų | 116 | 125.4 Ų | 125.4 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | | | trans | -78.5 | 148.5 | 173.3 | 33 | -33.6 | 0 | 0 | 0 | 110.9 | | |
| 29 | V | 36.6 | Very low | 40.6 | Very low | 74 Ų | 74 | 120.4 Ų | 120.4 | 45% | 0.448 | 76% | 0.761 | S | S | . | * | | | trans | -117.2 | 134.9 | 176.1 | -156 | 0 | 0 | 0 | 0 | 109.3 | P960 | V29-P960 HydrophobicContact CB-CB 3.79Å; V29-P960 HydrophobicContact CG1-CB 3.54Å |
| 30 | V | 39.5 | Very low | 39.6 | Very low | 135 Ų | 135 | 126 Ų | 126 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | trans | -127.7 | 144.4 | -178.9 | 177 | 0 | 0 | 0 | 0 | 109.3 | | |
| 31 | A | 37.6 | Very low | 39 | Very low | 48 Ų | 48 | 121.2 Ų | 121.2 | 40% | 0.397 | 77% | 0.767 | S | S | . | * | | | trans | -99 | 117.3 | -163.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | P960 W962 | A31-P960 HydrophobicContact CB-CG 3.6Å; A31-W962 HydrophobicContact CB-CZ2 4.22Å |
| 32 | G | 35.3 | Very low | 38.2 | Very low | 72 Ų | 72 | 121.9 Ų | 121.9 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | | | trans | 55 | -165.8 | 154.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 33 | P | 41.2 | Very low | 37.4 | Very low | 124 Ų | 124 | 118.4 Ų | 118.4 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | | | cis | -130.4 | 178.1 | -15.6 | 41.5 | -27.2 | 0 | 0 | 0 | 113.7 | | |
| 34 | G | 32.8 | Very low | 36.4 | Very low | 62 Ų | 62 | 120.3 Ų | 120.3 | 64% | 0.639 | 77% | 0.768 | S | S | * | * | | | trans | 117.4 | 159.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 35 | A | 39 | Very low | 35.5 | Very low | 90 Ų | 90 | 121.2 Ų | 121.2 | 74% | 0.744 | 77% | 0.773 | S | S | * | * | | | trans | -151.3 | -172.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 36 | T | 36.9 | Very low | 34.3 | Very low | 143 Ų | 143 | 119.3 Ų | 119.3 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | | | trans | 84.7 | 147.9 | -178.6 | 73.3 | 0 | 0 | 0 | 0 | 116.4 | | |
| 37 | A | 31.5 | Very low | 33.8 | Very low | 97 Ų | 97 | 118.5 Ų | 118.5 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | | | cis | -167.5 | 151.8 | -24.7 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 38 | G | 29.8 | Very low | 33.1 | Very low | 85 Ų | 85 | 116.9 Ų | 116.9 | 88% | 0.876 | 77% | 0.765 | S | S | * | * | | | trans | 79.3 | 155.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 39 | G | 28.2 | Very low | 32.7 | Very low | 73 Ų | 73 | 118 Ų | 118 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | | | cis | 169.3 | 162.3 | -11.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 40 | R | 27.7 | Very low | 32.6 | Very low | 235 Ų | 235 | 122.1 Ų | 122.1 | 89% | 0.887 | 77% | 0.774 | S | S | * | * | | | trans | 73.3 | 156.9 | 170.4 | -75.5 | -179.8 | 159.2 | -99.3 | -4.8 | 119.4 | | |
| 41 | S | 31 | Very low | 32.2 | Very low | 117 Ų | 117 | 118.3 Ų | 118.3 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | trans | -147.5 | 148.1 | -176.3 | -47.1 | 0 | 0 | 0 | 0 | 110 | | |
| 42 | E | 28.7 | Very low | 31.8 | Very low | 180 Ų | 180 | 122.4 Ų | 122.4 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | | | trans | -147 | 167.7 | 164.6 | -66.2 | -172.7 | 172 | 0 | 0 | 109.1 | | |
| 43 | A | 29.7 | Very low | 31.8 | Very low | 97 Ų | 97 | 127.2 Ų | 127.2 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | | | | 179 | 117.4 | -59.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 44 | S | 25.5 | Very low | 31.4 | Very low | 116 Ų | 116 | 128.3 Ų | 128.3 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | | | trans | -164.5 | 126.8 | 166.2 | 61.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 45 | N | 28.4 | Very low | 31 | Very low | 176 Ų | 176 | 129.2 Ų | 129.2 | 94% | 0.941 | 79% | 0.791 | S | S | * | * | | | trans | -116.9 | 156.1 | 161.7 | -82.2 | -9.6 | 0 | 0 | 0 | 108.8 | | |
| 46 | S | 27.3 | Very low | 30.4 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | trans | -99.1 | 163.3 | 179.9 | 56.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 47 | N | 31.5 | Very low | 31 | Very low | 147 Ų | 147 | 127.5 Ų | 127.5 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | | | trans | -66.9 | -178 | 173.5 | -61 | -46.2 | 0 | 0 | 0 | 111.5 | | |
| 48 | Q | 33.3 | Very low | 30.8 | Very low | 150 Ų | 150 | 130.3 Ų | 130.3 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | | | cis | -172.8 | 139.7 | 32.8 | -164.4 | 161 | -9.5 | 0 | 0 | 114 | | |
| 49 | E | 34 | Very low | 31.8 | Very low | 141 Ų | 141 | 131.7 Ų | 131.7 | 66% | 0.659 | 78% | 0.784 | S | S | * | * | | | trans | 53.5 | 163.9 | 152.8 | -68.1 | 177.5 | 61.8 | 0 | 0 | 120 | | |
| 50 | Q | 35 | Very low | 31.9 | Very low | 159 Ų | 159 | 135.9 Ų | 135.9 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | | | cis | -154.9 | -178.2 | -16.4 | -118.5 | -167 | 83.4 | 0 | 0 | 106.9 | | |
| 51 | G | 31.3 | Very low | 33 | Very low | 56 Ų | 56 | 129.9 Ų | 129.9 | 58% | 0.577 | 78% | 0.78 | S | S | * | * | | | cis | 159.7 | 148.2 | -2.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 52 | N | 29.4 | Very low | 32.9 | Very low | 133 Ų | 133 | 130.2 Ų | 130.2 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | | | trans | 66.1 | 150.6 | 173.3 | -65.7 | -39.2 | 0 | 0 | 0 | 119.1 | | |
| 53 | K | 35.9 | Very low | 33.2 | Very low | 173 Ų | 173 | 129.9 Ų | 129.9 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | | | cis | -163.6 | 132.3 | -21.8 | -116 | 167.5 | -170.4 | -75.3 | 0 | 112 | | |
| 54 | V | 31.4 | Very low | 33 | Very low | 148 Ų | 148 | 132.1 Ų | 132.1 | 90% | 0.897 | 77% | 0.769 | S | S | * | * | | | trans | 35.8 | 130 | 140.1 | -175.4 | 0 | 0 | 0 | 0 | 122.2 | | |
| 55 | G | 25.9 | Very low | 34.3 | Very low | 80 Ų | 80 | 131.6 Ų | 131.6 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | | | trans | -172.4 | 149.8 | 161.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 56 | G | 26.3 | Very low | 34.4 | Very low | 78 Ų | 78 | 131.3 Ų | 131.3 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | | | trans | -123.9 | -161.3 | -164.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 57 | P | 48.7 | Very low | 34.7 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | | | | -133.4 | -168.6 | -125.3 | 40.5 | -22.4 | 0 | 0 | 0 | 118.1 | | |
| 58 | L | 28.6 | Very low | 36 | Very low | 157 Ų | 157 | 130.2 Ų | 130.2 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | | | trans | 82.4 | 164.5 | 167 | -66.2 | 151.3 | 0 | 0 | 0 | 118.1 | | |
| 59 | P | 49.3 | Very low | 36 | Very low | 114 Ų | 114 | 133.4 Ų | 133.4 | 74% | 0.74 | 77% | 0.765 | S | S | * | * | | | cis | -132.5 | -164.3 | -13.9 | 29.9 | -6 | 0 | 0 | 0 | 115.7 | | |
| 60 | L | 29.9 | Very low | 35.9 | Very low | 161 Ų | 161 | 131.7 Ų | 131.7 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | | | trans | -124.3 | 178.7 | 177.3 | -36.4 | 87.5 | 0 | 0 | 0 | 110.7 | | |
| 61 | P | 51.3 | Low | 35.6 | Very low | 109 Ų | 109 | 127 Ų | 127 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | | | | -159.1 | -158.5 | 62.9 | 44.5 | -20.7 | 0 | 0 | 0 | 117.5 | | |
| 62 | N | 28.8 | Very low | 35.8 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 66% | 0.663 | 78% | 0.78 | S | S | * | * | | | trans | 71 | 165.6 | 162.5 | -71.1 | 24.4 | 0 | 0 | 0 | 118.6 | | |
| 63 | H | 36.3 | Very low | 35.8 | Very low | 172 Ų | 172 | 131.5 Ų | 131.5 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | | | cis | -148.5 | 173.8 | 3.5 | -122.8 | -47 | 0 | 0 | 0 | 111.4 | | |
| 64 | D | 24.5 | Very low | 35.5 | Very low | 144 Ų | 144 | 126.6 Ų | 126.6 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | | | trans | -155.8 | 143.9 | -178.6 | 178.6 | -100.3 | 0 | 0 | 0 | 114 | | |
| 65 | P | 53.8 | Low | 36.1 | Very low | 106 Ų | 106 | 125.4 Ų | 125.4 | 69% | 0.688 | 78% | 0.779 | S | S | * | * | | | trans | -147.5 | 138.9 | 169.6 | 38.2 | -18.6 | 0 | 0 | 0 | 119.7 | | |
| 66 | M | 30.6 | Very low | 36.4 | Very low | 169 Ų | 169 | 130.9 Ų | 130.9 | 83% | 0.833 | 78% | 0.78 | S | S | * | * | | | trans | 68.5 | 140.9 | 152.9 | -67.7 | -176.5 | 66.5 | 0 | 0 | 121 | | |
| 67 | V | 33 | Very low | 36.6 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 75% | 0.745 | 79% | 0.785 | S | S | * | * | | | cis | 86.3 | 133.9 | 8.2 | -171.1 | 0 | 0 | 0 | 0 | 116.3 | | |
| 68 | P | 59 | Low | 35.6 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | | | cis | -137.2 | 163.8 | -16.1 | 38 | -19.8 | 0 | 0 | 0 | 118.2 | | |
| 69 | K | 32.7 | Very low | 36 | Very low | 217 Ų | 217 | 131.2 Ų | 131.2 | 94% | 0.943 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -154.9 | 145.7 | 135.2 | -144.3 | 176 | -172.8 | 179.3 | 0 | 108.9 | | |
| 70 | A | 32.2 | Very low | 35.3 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | | | trans | -94.3 | 158.1 | -163.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 71 | G | 29.1 | Very low | 35.8 | Very low | 61 Ų | 61 | 130 Ų | 130 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | | | cis | 168.5 | 168.5 | -7.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 72 | T | 35.8 | Very low | 35.3 | Very low | 130 Ų | 130 | 131.2 Ų | 131.2 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | | | trans | 52.7 | 128.2 | 162 | 51.1 | 0 | 0 | 0 | 0 | 119.3 | | |
| 73 | N | 29.5 | Very low | 35.7 | Very low | 154 Ų | 154 | 132.4 Ų | 132.4 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | | | cis | -145.4 | 163.5 | 9.1 | -80.8 | -44.5 | 0 | 0 | 0 | 111.4 | | |
| 74 | G | 28.3 | Very low | 36.1 | Very low | 70 Ų | 70 | 134.4 Ų | 134.4 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | | | trans | -84 | -162.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 75 | P | 43.6 | Very low | 37.3 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | | | cis | -140.5 | -174.9 | 34.2 | 42.9 | -24.8 | 0 | 0 | 0 | 117.4 | | |
| 76 | K | 33.4 | Very low | 36.7 | Very low | 196 Ų | 196 | 134.9 Ų | 134.9 | 85% | 0.852 | 78% | 0.784 | S | S | * | * | | | trans | 75.4 | 97.3 | 169.1 | -63.6 | -174.5 | 178.7 | -179.6 | 0 | 117 | | |
| 77 | L | 29.8 | Very low | 37.3 | Very low | 175 Ų | 175 | 137.4 Ų | 137.4 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | | | trans | -60.3 | 148.7 | 160.2 | -76.9 | 66.4 | 0 | 0 | 0 | 110 | | |
| 78 | G | 28.5 | Very low | 37.6 | Very low | 70 Ų | 70 | 137.7 Ų | 137.7 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | | | cis | 116.5 | 95.8 | 1.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 79 | S | 35.9 | Very low | 36.4 | Very low | 115 Ų | 115 | 140.8 Ų | 140.8 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | -71.8 | 134.5 | 172.1 | 53.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 80 | S | 34.8 | Very low | 36.4 | Very low | 97 Ų | 97 | 140.9 Ų | 140.9 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | | | trans | -172.9 | 151.7 | 159 | -84.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 81 | Q | 40.4 | Very low | 36.7 | Very low | 154 Ų | 154 | 141 Ų | 141 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | | | cis | -147.8 | 150 | -7.4 | -113 | 157.7 | 51.2 | 0 | 0 | 107.5 | | |
| 82 | H | 40.7 | Very low | 36.8 | Very low | 134 Ų | 134 | 141.6 Ų | 141.6 | 62% | 0.62 | 79% | 0.785 | S | S | * | * | | | | 40.4 | 133.8 | 98.5 | -58.6 | -150.4 | 0 | 0 | 0 | 113.4 | | |
| 83 | L | 37.1 | Very low | 36.5 | Very low | 148 Ų | 148 | 140.4 Ų | 140.4 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | | | cis | -159.5 | 132.8 | 49.6 | -75.2 | 161.4 | 0 | 0 | 0 | 112.8 | | |
| 84 | K | 46.1 | Very low | 36.7 | Very low | 214 Ų | 214 | 144.1 Ų | 144.1 | 93% | 0.93 | 79% | 0.791 | S | S | * | * | | | | -172.7 | 103.2 | 129.7 | -105.5 | 167.5 | -176.5 | 177.3 | 0 | 108.7 | | |
| 85 | K | 49.1 | Very low | 36.7 | Very low | 161 Ų | 161 | 147.9 Ų | 147.9 | 70% | 0.7 | 80% | 0.795 | S | S | * | * | | | trans | -114.4 | 124.3 | -177.3 | -68.3 | -175.6 | 179.6 | -177.8 | 0 | 111 | | |
| 86 | A | 40.7 | Very low | 36.5 | Very low | 100 Ų | 100 | 149 Ų | 149 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | | | | -120.9 | 113.9 | 125.8 | 0 | 0 | 0 | 0 | 0 | 105.2 | | |
| 87 | R | 44.6 | Very low | 37 | Very low | 221 Ų | 221 | 145.6 Ų | 145.6 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | | | cis | 68.6 | 126.5 | 43.8 | -172 | -164.1 | -87.8 | 166.4 | -7.2 | 111.4 | | |
| 88 | L | 38.8 | Very low | 37 | Very low | 129 Ų | 129 | 140.1 Ų | 140.1 | 68% | 0.675 | 78% | 0.777 | S | S | * | * | | | cis | -173.5 | 137.1 | -19.1 | 172 | 69.8 | 0 | 0 | 0 | 106.2 | R90 | L88-R90 HydrophobicContact CD1-CB 4.14Š|
| 89 | L | 33.5 | Very low | 37.2 | Very low | 184 Ų | 184 | 144.4 Ų | 144.4 | 96% | 0.963 | 78% | 0.784 | S | S | * | * | | | trans | -135.6 | 126 | 142.6 | -75.7 | -179.4 | 0 | 0 | 0 | 108.4 | | |
| 90 | R | 32.4 | Very low | 37.1 | Very low | 218 Ų | 218 | 146.7 Ų | 146.7 | 82% | 0.823 | 78% | 0.782 | S | S | * | * | | | trans | -133.7 | 136.5 | 171.4 | -177.2 | 176.8 | -179.2 | -174.3 | 0.1 | 107.7 | L88 | L88-R90 HydrophobicContact CD1-CB 4.14Š|
| 91 | S | 38 | Very low | 37.1 | Very low | 109 Ų | 109 | 151.5 Ų | 151.5 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | | | trans | -39 | 138.9 | 178.6 | 55.2 | 0 | 0 | 0 | 0 | 117 | | |
| 92 | G | 31.8 | Very low | 36.6 | Very low | 73 Ų | 73 | 152 Ų | 152 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | | | trans | 134.8 | 142.5 | 138.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 93 | A | 29.4 | Very low | 35.9 | Very low | 105 Ų | 105 | 151.1 Ų | 151.1 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | | | trans | 70.9 | 159.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 94 | W | 33.5 | Very low | 35.3 | Very low | 232 Ų | 232 | 149.4 Ų | 149.4 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | | | trans | -84.7 | 155.7 | 176.7 | -67 | 9 | 0 | 0 | 0 | 112.1 | | |
| 95 | N | 29.2 | Very low | 35.3 | Very low | 149 Ų | 149 | 144.5 Ų | 144.5 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | | | | 174.5 | 149.1 | 107.7 | -85.9 | -31.3 | 0 | 0 | 0 | 112.5 | | |
| 96 | D | 39.8 | Very low | 35 | Very low | 146 Ų | 146 | 142.1 Ų | 142.1 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | | | trans | -82.8 | 147.1 | 165.6 | -170.6 | 0.4 | 0 | 0 | 0 | 109 | G98 | D96-G98 PolarHBondContact OD1-N 3Š|
| 97 | P | 43 | Very low | 34.6 | Very low | 123 Ų | 123 | 143.7 Ų | 143.7 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | | | | -153.6 | 136.2 | 108.5 | 36.3 | -17.2 | 0 | 0 | 0 | 117.3 | | |
| 98 | G | 29.4 | Very low | 34.1 | Very low | 60 Ų | 60 | 141.3 Ų | 141.3 | 62% | 0.619 | 79% | 0.788 | S | S | * | * | | | | 71.5 | 110.8 | 109.9 | 0 | 0 | 0 | 0 | 0 | 122 | D96 | D96-G98 PolarHBondContact OD1-N 3Š|
| 99 | N | 33.8 | Very low | 33.9 | Very low | 160 Ų | 160 | 143.2 Ų | 143.2 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | | | trans | 48.2 | 124.2 | 141.1 | -72.4 | -23.8 | 0 | 0 | 0 | 122 | | |
| 100 | Q | 33.4 | Very low | 33.9 | Very low | 164 Ų | 164 | 142.1 Ų | 142.1 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | | | | -163.5 | 112.4 | 109.2 | -88 | -124.5 | 74.6 | 0 | 0 | 114.1 | | |
| 101 | R | 34.4 | Very low | 33.9 | Very low | 198 Ų | 198 | 135.1 Ų | 135.1 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | | | | 44.8 | 119.1 | 125.2 | -172.6 | -167.6 | -65.7 | -117.4 | -2.2 | 120.1 | | |
| 102 | M | 29.4 | Very low | 33.9 | Very low | 163 Ų | 163 | 138.7 Ų | 138.7 | 80% | 0.803 | 79% | 0.792 | S | S | * | * | | | | -164.4 | 163.5 | 113.8 | -93 | -47 | 174 | 0 | 0 | 112.1 | | |
| 103 | S | 26.1 | Very low | 33.9 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | 55.2 | 99.7 | 178.3 | 67.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 104 | S | 24.8 | Very low | 34 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | | | trans | -89.1 | -170 | 146.5 | 59.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 105 | P | 47 | Very low | 33.9 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | | | cis | -137.4 | -147.5 | 2 | 41.6 | -19.3 | 0 | 0 | 0 | 112 | | |
| 106 | P | 42 | Very low | 34.5 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | | | | -122.4 | -160.3 | -54.5 | 24.6 | -2.3 | 0 | 0 | 0 | 112.2 | | |
| 107 | V | 32.7 | Very low | 34.4 | Very low | 133 Ų | 133 | 137.8 Ų | 137.8 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | | | trans | 110.2 | 125.7 | 151 | -175.1 | 0 | 0 | 0 | 0 | 115.8 | | |
| 108 | E | 33.3 | Very low | 33.9 | Very low | 171 Ų | 171 | 138.7 Ų | 138.7 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | | | trans | -80.8 | 161.7 | 175.6 | -55 | 152.5 | 111.7 | 0 | 0 | 110.6 | | |
| 109 | L | 35.4 | Very low | 33.9 | Very low | 168 Ų | 168 | 139.6 Ų | 139.6 | 88% | 0.88 | 80% | 0.798 | S | S | * | * | | | | -171.3 | 149.4 | 110.4 | -101.6 | 170.4 | 0 | 0 | 0 | 113.5 | | |
| 110 | N | 33.6 | Very low | 33.6 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | | | trans | -54.2 | 125.7 | 167.6 | 178.9 | 22.6 | 0 | 0 | 0 | 111.4 | | |
| 111 | G | 32.8 | Very low | 33.9 | Very low | 70 Ų | 70 | 136.7 Ų | 136.7 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | | | trans | -144.2 | 128.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 112 | Q | 36.2 | Very low | 34.1 | Very low | 184 Ų | 184 | 135.4 Ų | 135.4 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | | | trans | -105.3 | 163.8 | -176.9 | -169.2 | 174.5 | 76.7 | 0 | 0 | 110.3 | | |
| 113 | V | 31.8 | Very low | 34.1 | Very low | 140 Ų | 140 | 131 Ų | 131 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | | | trans | 72.8 | 142.5 | -178 | -167.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 114 | G | 32.9 | Very low | 34.7 | Very low | 57 Ų | 57 | 130.2 Ų | 130.2 | 59% | 0.588 | 79% | 0.794 | S | S | * | * | | | cis | 159.9 | 172.3 | -7.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 115 | T | 31.8 | Very low | 35.6 | Very low | 149 Ų | 149 | 130.6 Ų | 130.6 | 91% | 0.914 | 79% | 0.794 | S | S | * | * | | | trans | 61.2 | 129.1 | 173.8 | 31.8 | 0 | 0 | 0 | 0 | 119.5 | | |
| 116 | L | 41 | Very low | 35.4 | Very low | 167 Ų | 167 | 133.8 Ų | 133.8 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | | | trans | -62.5 | 145 | 167.5 | -59 | 144.1 | 0 | 0 | 0 | 112 | | |
| 117 | Q | 37.2 | Very low | 35.1 | Very low | 173 Ų | 173 | 134.5 Ų | 134.5 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | | | | -172.3 | 133.7 | 129.5 | -107.2 | -170.1 | 81 | 0 | 0 | 115.3 | | |
| 118 | N | 32.5 | Very low | 36 | Very low | 142 Ų | 142 | 131.4 Ų | 131.4 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | | | trans | 48.7 | 136.5 | 136.1 | -61.7 | -22 | 0 | 0 | 0 | 124.2 | | |
| 119 | G | 30.3 | Very low | 37 | Very low | 80 Ų | 80 | 131.8 Ų | 131.8 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | | | trans | 105.8 | 141.4 | 156.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 120 | A | 27.3 | Very low | 37.9 | Very low | 100 Ų | 100 | 127.2 Ų | 127.2 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | | | cis | -156 | -177.9 | -9.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 121 | L | 40.2 | Very low | 39.5 | Very low | 163 Ų | 163 | 125 Ų | 125 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | | | trans | -67.5 | 168.3 | 169.9 | -67.2 | 84.8 | 0 | 0 | 0 | 110.4 | | |
| 122 | E | 37.3 | Very low | 40.9 | Very low | 170 Ų | 170 | 128.1 Ų | 128.1 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | | | cis | -155.2 | -179 | 27.8 | -134.6 | -104.7 | -142.6 | 0 | 0 | 110.3 | S124 | E122-S124 PolarHBondContact OE2-N 3.25Š|
| 123 | G | 30.3 | Very low | 42.6 | Very low | 72 Ų | 72 | 123.9 Ų | 123.9 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | | | trans | 149.2 | 60.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 124 | S | 38.5 | Very low | 44.5 | Very low | 99 Ų | 99 | 119.9 Ų | 119.9 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | | | trans | -83.2 | 151.5 | 161.7 | -157.5 | 0 | 0 | 0 | 0 | 110.9 | E122 H126 | E122-S124 PolarHBondContact OE2-N 3.25Å; S124-H126 PolarHBondContact OG-N 3.22Å |
| 125 | P | 44.3 | Very low | 46.5 | Very low | 120 Ų | 120 | 120.4 Ų | 120.4 | 78% | 0.779 | 74% | 0.737 | S | S | * | * | | | | -144 | 133.4 | 94.9 | 35.1 | -19.1 | 0 | 0 | 0 | 116.1 | | |
| 126 | H | 41 | Very low | 48.8 | Very low | 179 Ų | 179 | 117.6 Ų | 117.6 | 83% | 0.829 | 72% | 0.716 | S | S | * | * | | | trans | 59.9 | 84 | 132.9 | -149.3 | 87.3 | 0 | 0 | 0 | 119.4 | S124 | S124-H126 PolarHBondContact OG-N 3.22Š|
| 127 | S | 37.3 | Very low | 50.9 | Low | 125 Ų | 125 | 114.5 Ų | 114.5 | 87% | 0.874 | 70% | 0.699 | S | S | * | * | | | trans | -137.9 | 120.1 | 135.9 | -173 | 0 | 0 | 0 | 0 | 108.6 | | |
| 128 | G | 51 | Low | 52.9 | Low | 68 Ų | 68 | 113 Ų | 113 | 70% | 0.701 | 69% | 0.692 | S | S | * | * | | | trans | -112.3 | 100.1 | -168.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 129 | E | 54.2 | Low | 54.9 | Low | 179 Ų | 179 | 109.1 Ų | 109.1 | 84% | 0.836 | 68% | 0.676 | S | S | * | * | | | trans | -152.8 | 160.2 | 168.5 | -109.7 | 165.7 | -133 | 0 | 0 | 110.5 | T131 | E129-T131 PolarHBondContact O-N 2.93Š|
| 130 | S | 55.4 | Low | 57.3 | Low | 72 Ų | 72 | 111.3 Ų | 111.3 | 50% | 0.503 | 66% | 0.663 | S | S | . | * | | | trans | 67.7 | 26.5 | 164.2 | -65.9 | 0 | 0 | 0 | 0 | 119.8 | L132 L133 A134 | S130-L132 VanDerWaalsContact C-N 3.31Å; S130-L132 PolarHBondContact O-N 3.17Å; S130-L133 PolarHBondContact O-N 3.41Å; S130-A134 PolarHBondContact O-N 3.13Å |
| 131 | T | 65.4 | Low | 59.6 | Low | 115 Ų | 115 | 109.6 Ų | 109.6 | 71% | 0.706 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -56.4 | -41.8 | 169 | 50.1 | 0 | 0 | 0 | 0 | 113 | E129 A134 S135 | E129-T131 PolarHBondContact O-N 2.93Å; T131-A134 PolarHBondContact O-N 3.01Å; T131-S135 PolarHBondContact O-N 3.29Å; T131-S135 PolarHBondContact O-OG 3.17Å |
| 132 | L | 63.4 | Low | 61.1 | Low | 137 Ų | 137 | 105.3 Ų | 105.3 | 72% | 0.717 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63.3 | -39.8 | 175.6 | -84.3 | 170.1 | 0 | 0 | 0 | 113 | S130 S135 L136 | S130-L132 VanDerWaalsContact C-N 3.31Å; S130-L132 PolarHBondContact O-N 3.17Å; L132-S135 PolarHBondContact O-N 3.44Å; L132-L136 WeakPolarHBondContact O-CB 3.37Å; L132-L136 WeakPolarHBondContact O-CG 3.27Å; L132-L136 PolarHBondContact O-N 3.1Å |
| 133 | L | 71.4 | Confident | 63 | Low | 94 Ų | 94 | 106.3 Ų | 106.3 | 49% | 0.492 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -69.4 | -39.4 | 177.4 | -177.4 | 62.2 | 0 | 0 | 0 | 110.8 | S130 L136 L137 | S130-L133 PolarHBondContact O-N 3.41Å; L133-L136 PolarHBondContact O-N 3.34Å; L133-L137 HydrophobicContact CD1-CD1 4.25Å; L133-L137 HydrophobicContact CD1-CG 4.22Å; L133-L137 HydrophobicContact CG-CD1 3.98Å; L133-L137 HydrophobicContact CG-CG 4.39Å; L133-L137 WeakPolarHBondContact O-CB 3.46Å; L133-L137 VanDerWaalsContact O-CG 3.27Å; L133-L137 WeakPolarHBondContact O-CG 3.48Å; L133-L137 PolarHBondContact O-N 3.49Å |
| 134 | A | 72.6 | Confident | 65.1 | Low | 56 Ų | 56 | 108.8 Ų | 108.8 | 46% | 0.463 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -60.5 | -48 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S130 T131 L136 L137 Q138 | S130-A134 PolarHBondContact O-N 3.13Å; T131-A134 PolarHBondContact O-N 3.01Å; A134-L136 PolarHBondContact O-N 3.25Å; A134-L137 PolarHBondContact O-N 3.42Å; A134-Q138 VanDerWaalsContact O-CB 3.23Å; A134-Q138 WeakPolarHBondContact O-CB 3.43Å; A134-Q138 PolarHBondContact O-N 3.4Å |
| 135 | S | 73.4 | Confident | 66.7 | Low | 69 Ų | 69 | 110.6 Ų | 110.6 | 48% | 0.483 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -63.4 | -38 | 175.7 | -62.1 | 0 | 0 | 0 | 0 | 112.9 | T131 L132 S139 | T131-S135 PolarHBondContact O-N 3.29Å; T131-S135 PolarHBondContact O-OG 3.17Å; L132-S135 PolarHBondContact O-N 3.44Å; S135-S139 WeakPolarHBondContact O-CB 3.37Å; S135-S139 PolarHBondContact O-N 2.88Å |
| 136 | L | 81.1 | Confident | 67.6 | Low | 90 Ų | 90 | 108.6 Ų | 108.6 | 47% | 0.471 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.3 | -51.9 | 174.4 | -81.3 | 164.6 | 0 | 0 | 0 | 111.1 | L132 L133 A134 Q138 S139 F140 | L132-L136 WeakPolarHBondContact O-CB 3.37Å; L132-L136 WeakPolarHBondContact O-CG 3.27Å; L132-L136 PolarHBondContact O-N 3.1Å; L133-L136 PolarHBondContact O-N 3.34Å; A134-L136 PolarHBondContact O-N 3.25Å; L136-Q138 VanDerWaalsContact C-N 3.29Å; L136-Q138 PolarHBondContact O-N 3.4Å; L136-S139 PolarHBondContact O-N 3.47Å; L136-S139 VanDerWaalsContact O-N 3.07Å; L136-S139 PolarHBondContact O-OG 2.87Å; L136-F140 HydrophobicContact CD2-CE2 4.42Å; L136-F140 WeakPolarHBondContact O-CD2 3.4Å; L136-F140 PolarHBondContact O-N 3.18Å |
| 137 | L | 85.8 | Confident | 68.8 | Low | 101 Ų | 101 | 103.8 Ų | 103.8 | 53% | 0.529 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -59.6 | -38.8 | 177.2 | -71.4 | 170.9 | 0 | 0 | 0 | 111.9 | L133 A134 F140 S141 | L133-L137 HydrophobicContact CD1-CD1 4.25Å; L133-L137 HydrophobicContact CD1-CG 4.22Å; L133-L137 HydrophobicContact CG-CD1 3.98Å; L133-L137 HydrophobicContact CG-CG 4.39Å; L133-L137 WeakPolarHBondContact O-CB 3.46Å; L133-L137 VanDerWaalsContact O-CG 3.27Å; L133-L137 WeakPolarHBondContact O-CG 3.48Å; L133-L137 PolarHBondContact O-N 3.49Å; A134-L137 PolarHBondContact O-N 3.42Å; L137-F140 PolarHBondContact O-N 3.31Å; L137-S141 VanDerWaalsContact O-CB 3.28Å; L137-S141 WeakPolarHBondContact O-CB 3.39Å; L137-S141 PolarHBondContact O-N 3.45Å; L137-S141 PolarHBondContact O-OG 3.03Å |
| 138 | Q | 78.1 | Confident | 69.8 | Low | 141 Ų | 141 | 100.1 Ų | 100.1 | 66% | 0.659 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.3 | -40.9 | 173.7 | -168.8 | 177.6 | 21.5 | 0 | 0 | 111.7 | A134 L136 S141 S142 | A134-Q138 VanDerWaalsContact O-CB 3.23Å; A134-Q138 WeakPolarHBondContact O-CB 3.43Å; A134-Q138 PolarHBondContact O-N 3.4Å; L136-Q138 VanDerWaalsContact C-N 3.29Å; L136-Q138 PolarHBondContact O-N 3.4Å; Q138-S141 PolarHBondContact O-N 2.87Å; Q138-S142 VanDerWaalsContact O-CB 3.25Å; Q138-S142 WeakPolarHBondContact O-CB 3.49Å; Q138-S142 PolarHBondContact O-N 3.03Å |
| 139 | S | 75.4 | Confident | 69.9 | Low | 61 Ų | 61 | 103.4 Ų | 103.4 | 43% | 0.427 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.4 | -40.4 | 176 | 78.9 | 0 | 0 | 0 | 0 | 112.6 | S135 L136 R143 | S135-S139 WeakPolarHBondContact O-CB 3.37Å; S135-S139 PolarHBondContact O-N 2.88Å; L136-S139 PolarHBondContact O-N 3.47Å; L136-S139 VanDerWaalsContact O-N 3.07Å; L136-S139 PolarHBondContact O-OG 2.87Å; S139-R143 VanDerWaalsContact O-CB 3.3Å; S139-R143 WeakPolarHBondContact O-CB 3.46Å; S139-R143 PolarHBondContact O-N 2.84Å |
| 140 | F | 79.3 | Confident | 69.7 | Low | 126 Ų | 126 | 98.3 Ų | 98.3 | 55% | 0.553 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66 | -43.2 | 173.5 | -80.3 | -68.7 | 0 | 0 | 0 | 111.5 | L136 L137 R143 L144 | L136-F140 HydrophobicContact CD2-CE2 4.42Å; L136-F140 WeakPolarHBondContact O-CD2 3.4Å; L136-F140 PolarHBondContact O-N 3.18Å; L137-F140 PolarHBondContact O-N 3.31Å; F140-R143 PolarHBondContact O-N 3.41Å; F140-L144 WeakPolarHBondContact O-CB 3.36Å; F140-L144 WeakPolarHBondContact O-CG 3.25Å; F140-L144 PolarHBondContact O-N 3.41Å |
| 141 | S | 76.3 | Confident | 69.6 | Low | 64 Ų | 64 | 102.2 Ų | 102.2 | 45% | 0.448 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.8 | -45.3 | 177.1 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | L137 Q138 R143 L144 Q145 | L137-S141 VanDerWaalsContact O-CB 3.28Å; L137-S141 WeakPolarHBondContact O-CB 3.39Å; L137-S141 PolarHBondContact O-N 3.45Å; L137-S141 PolarHBondContact O-OG 3.03Å; Q138-S141 PolarHBondContact O-N 2.87Å; S141-R143 PolarHBondContact O-N 2.81Å; S141-L144 PolarHBondContact O-N 3.23Å; S141-Q145 WeakPolarHBondContact O-CB 3.42Å; S141-Q145 WeakPolarHBondContact O-CG 3.23Å; S141-Q145 PolarHBondContact O-N 3.35Å |
| 142 | S | 72.3 | Confident | 68.7 | Low | 74 Ų | 74 | 103.8 Ų | 103.8 | 52% | 0.517 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.8 | -42.2 | 174.8 | 179.7 | 0 | 0 | 0 | 0 | 111.7 | Q138 Q145 S146 | Q138-S142 VanDerWaalsContact O-CB 3.25Å; Q138-S142 WeakPolarHBondContact O-CB 3.49Å; Q138-S142 PolarHBondContact O-N 3.03Å; S142-Q145 PolarHBondContact O-N 3.46Å; S142-S146 VanDerWaalsContact O-CB 3.27Å; S142-S146 WeakPolarHBondContact O-CB 3.27Å; S142-S146 PolarHBondContact O-N 3.14Å |
| 143 | R | 76.3 | Confident | 67.7 | Low | 191 Ų | 191 | 101.2 Ų | 101.2 | 72% | 0.721 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -68.8 | -37 | 177.5 | -156.9 | 174.3 | -161 | -176.3 | 5.7 | 112.5 | S139 F140 S141 S146 V147 | S139-R143 VanDerWaalsContact O-CB 3.3Å; S139-R143 WeakPolarHBondContact O-CB 3.46Å; S139-R143 PolarHBondContact O-N 2.84Å; F140-R143 PolarHBondContact O-N 3.41Å; S141-R143 PolarHBondContact O-N 2.81Å; R143-S146 PolarHBondContact O-N 3.49Å; R143-V147 VanDerWaalsContact O-CG2 3.31Å; R143-V147 WeakPolarHBondContact O-CG2 3.45Å; R143-V147 PolarHBondContact O-N 3.34Å |
| 144 | L | 75.8 | Confident | 66.1 | Low | 123 Ų | 123 | 103.8 Ų | 103.8 | 64% | 0.644 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.4 | -45.7 | 173.4 | -78.9 | 164.1 | 0 | 0 | 0 | 111.7 | F140 S141 V147 A148 | F140-L144 WeakPolarHBondContact O-CB 3.36Å; F140-L144 WeakPolarHBondContact O-CG 3.25Å; F140-L144 PolarHBondContact O-N 3.41Å; S141-L144 PolarHBondContact O-N 3.23Å; L144-V147 PolarHBondContact O-N 3.4Å; L144-A148 WeakPolarHBondContact O-CB 3.36Å; L144-A148 PolarHBondContact O-N 3.02Å |
| 145 | Q | 70.6 | Confident | 64.3 | Low | 138 Ų | 138 | 110.1 Ų | 110.1 | 65% | 0.645 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.7 | -40.9 | 173.9 | -73.8 | 178.7 | -10.8 | 0 | 0 | 111.8 | S141 S142 A148 M149 | S141-Q145 WeakPolarHBondContact O-CB 3.42Å; S141-Q145 WeakPolarHBondContact O-CG 3.23Å; S141-Q145 PolarHBondContact O-N 3.35Å; S142-Q145 PolarHBondContact O-N 3.46Å; Q145-A148 PolarHBondContact O-N 2.84Å; Q145-M149 WeakPolarHBondContact O-CB 3.25Å; Q145-M149 VanDerWaalsContact O-CG 3.28Å; Q145-M149 WeakPolarHBondContact O-CG 3.45Å; Q145-M149 PolarHBondContact O-N 3.14Å |
| 146 | S | 64.3 | Low | 62.5 | Low | 78 Ų | 78 | 112.9 Ų | 112.9 | 55% | 0.545 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -61.4 | -43.3 | 174.9 | 179.5 | 0 | 0 | 0 | 0 | 112.1 | S142 R143 S150 | S142-S146 VanDerWaalsContact O-CB 3.27Å; S142-S146 WeakPolarHBondContact O-CB 3.27Å; S142-S146 PolarHBondContact O-N 3.14Å; R143-S146 PolarHBondContact O-N 3.49Å; S146-S150 WeakPolarHBondContact O-CB 3.35Å; S146-S150 PolarHBondContact O-N 2.87Å |
| 147 | V | 65.6 | Low | 60 | Low | 77 Ų | 77 | 115.4 Ų | 115.4 | 47% | 0.467 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -66.1 | -43.2 | 175.5 | 169 | 0 | 0 | 0 | 0 | 111.6 | R143 L144 S150 Q151 | R143-V147 VanDerWaalsContact O-CG2 3.31Å; R143-V147 WeakPolarHBondContact O-CG2 3.45Å; R143-V147 PolarHBondContact O-N 3.34Å; L144-V147 PolarHBondContact O-N 3.4Å; V147-S150 PolarHBondContact O-N 3.17Å; V147-Q151 PolarHBondContact O-N 3.1Å; V147-Q151 VanDerWaalsContact O-N 3.09Å |
| 148 | A | 58.5 | Low | 57.4 | Low | 48 Ų | 48 | 114.3 Ų | 114.3 | 40% | 0.397 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -60.1 | -52.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L144 Q145 S150 Q151 H152 | L144-A148 WeakPolarHBondContact O-CB 3.36Å; L144-A148 PolarHBondContact O-N 3.02Å; Q145-A148 PolarHBondContact O-N 2.84Å; A148-S150 VanDerWaalsContact C-N 3.27Å; A148-S150 PolarHBondContact O-N 3.1Å; A148-Q151 PolarHBondContact O-N 3Å; A148-Q151 VanDerWaalsContact O-N 3.08Å; A148-H152 PolarHBondContact O-CD2 3.48Å |
| 149 | M | 52.5 | Low | 55.1 | Low | 137 Ų | 137 | 116.8 Ų | 116.8 | 68% | 0.675 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -63.5 | -32.4 | 178 | -64.3 | -62.6 | -77 | 0 | 0 | 112.2 | Q145 Q151 H152 | Q145-M149 WeakPolarHBondContact O-CB 3.25Å; Q145-M149 VanDerWaalsContact O-CG 3.28Å; Q145-M149 WeakPolarHBondContact O-CG 3.45Å; Q145-M149 PolarHBondContact O-N 3.14Å; M149-Q151 VanDerWaalsContact C-N 3.34Å; M149-Q151 PolarHBondContact O-N 3.19Å; M149-H152 PolarHBondContact O-N 3.15Å |
| 150 | S | 49.7 | Very low | 52.7 | Low | 72 Ų | 72 | 120.2 Ų | 120.2 | 50% | 0.503 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -69.4 | -25.8 | 174.7 | -172.6 | 0 | 0 | 0 | 0 | 113.6 | S146 V147 A148 H152 S153 | S146-S150 WeakPolarHBondContact O-CB 3.35Å; S146-S150 PolarHBondContact O-N 2.87Å; V147-S150 PolarHBondContact O-N 3.17Å; A148-S150 VanDerWaalsContact C-N 3.27Å; A148-S150 PolarHBondContact O-N 3.1Å; S150-H152 VanDerWaalsContact C-N 3.26Å; S150-H152 PolarHBondContact O-N 3.04Å; S150-S153 PolarHBondContact O-OG 3.24Å |
| 151 | Q | 53.1 | Low | 50.2 | Low | 154 Ų | 154 | 119.5 Ų | 119.5 | 72% | 0.72 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -77.1 | -13 | 175.5 | -72.1 | -164.9 | 9.9 | 0 | 0 | 113.1 | V147 A148 M149 S153 | V147-Q151 PolarHBondContact O-N 3.1Å; V147-Q151 VanDerWaalsContact O-N 3.09Å; A148-Q151 PolarHBondContact O-N 3Å; A148-Q151 VanDerWaalsContact O-N 3.08Å; M149-Q151 VanDerWaalsContact C-N 3.34Å; M149-Q151 PolarHBondContact O-N 3.19Å; Q151-S153 VanDerWaalsContact C-N 3.34Å |
| 152 | H | 47.4 | Very low | 47.9 | Very low | 149 Ų | 149 | 121.5 Ų | 121.5 | 69% | 0.69 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -1.9 | 175.5 | -57.1 | -35 | 0 | 0 | 0 | 113.8 | A148 M149 S150 | A148-H152 PolarHBondContact O-CD2 3.48Å; M149-H152 PolarHBondContact O-N 3.15Å; S150-H152 VanDerWaalsContact C-N 3.26Å; S150-H152 PolarHBondContact O-N 3.04Å |
| 153 | S | 41.6 | Very low | 46.1 | Very low | 82 Ų | 82 | 123.7 Ų | 123.7 | 57% | 0.573 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -4.7 | -172.4 | 74 | 0 | 0 | 0 | 0 | 116 | S150 Q151 | S150-S153 PolarHBondContact O-OG 3.24Å; Q151-S153 VanDerWaalsContact C-N 3.34Å |
| 154 | N | 39.5 | Very low | 43.7 | Very low | 148 Ų | 148 | 120 Ų | 120 | 79% | 0.791 | 71% | 0.708 | S | S | * | * | | | trans | -117.6 | 83.5 | -175.8 | -76.6 | -61.8 | 0 | 0 | 0 | 112.3 | | |
| 155 | K | 34.3 | Very low | 41.4 | Very low | 190 Ų | 190 | 124 Ų | 124 | 83% | 0.826 | 72% | 0.72 | S | S | * | * | | | trans | -146.3 | 122.8 | 164.9 | -162.2 | 170.9 | -174.5 | 177.6 | 0 | 110.8 | | |
| 156 | P | 35.6 | Very low | 39.3 | Very low | 126 Ų | 126 | 121.5 Ų | 121.5 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | | | trans | -75.4 | 141.4 | 178.4 | 30.9 | -34.2 | 0 | 0 | 0 | 111.2 | | |
| 157 | T | 29.2 | Very low | 38.2 | Very low | 144 Ų | 144 | 123.4 Ų | 123.4 | 88% | 0.883 | 73% | 0.734 | S | S | * | * | | | trans | -94.5 | 120.1 | 175.1 | 48 | 0 | 0 | 0 | 0 | 111.3 | | |
| 158 | G | 29.6 | Very low | 36.5 | Very low | 78 Ų | 78 | 123.9 Ų | 123.9 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | | | trans | -119.7 | 159.1 | 161 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 159 | E | 30.9 | Very low | 35.3 | Very low | 192 Ų | 192 | 127.9 Ų | 127.9 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | | | trans | -109.4 | 163.3 | -157.6 | -58 | 179 | 131.6 | 0 | 0 | 115.2 | | |
| 160 | C | 24.8 | Very low | 34.3 | Very low | 133 Ų | 133 | 127 Ų | 127 | 90% | 0.899 | 76% | 0.763 | S | S | * | * | | | trans | 69.6 | 156 | 168.1 | -93.5 | 0 | 0 | 0 | 0 | 118.2 | | |
| 161 | S | 27 | Very low | 33.7 | Very low | 111 Ų | 111 | 131.5 Ų | 131.5 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | | | cis | -144 | 176.8 | 4.7 | 54 | 0 | 0 | 0 | 0 | 113.8 | | |
| 162 | S | 27.1 | Very low | 32.5 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | trans | -77.7 | 176.1 | -175.4 | 60.3 | 0 | 0 | 0 | 0 | 115.6 | | |
| 163 | P | 35.5 | Very low | 32.3 | Very low | 120 Ų | 120 | 129.4 Ų | 129.4 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | | | | -148.9 | 145.4 | 97 | 38.6 | -22 | 0 | 0 | 0 | 118.8 | | |
| 164 | S | 25.2 | Very low | 31.9 | Very low | 113 Ų | 113 | 132.5 Ų | 132.5 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | | | trans | 33 | 120.6 | 140.4 | -165.4 | 0 | 0 | 0 | 0 | 123.2 | | |
| 165 | K | 26.7 | Very low | 32.3 | Very low | 206 Ų | 206 | 130.6 Ų | 130.6 | 90% | 0.896 | 78% | 0.778 | S | S | * | * | | | | -164.8 | 156 | 104.7 | -132.1 | 172.7 | -178.1 | 176.1 | 0 | 113 | | |
| 166 | A | 27.7 | Very low | 32.2 | Very low | 86 Ų | 86 | 128.3 Ų | 128.3 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | | | trans | -125.7 | 173 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 167 | P | 41.2 | Very low | 32 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | | | | -152 | 172.5 | 79.8 | 41.4 | -23.7 | 0 | 0 | 0 | 117.2 | | |
| 168 | A | 30.3 | Very low | 32.2 | Very low | 86 Ų | 86 | 130.2 Ų | 130.2 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | | | trans | 65.2 | 144.4 | 154.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 169 | T | 32.8 | Very low | 32.5 | Very low | 133 Ų | 133 | 133.2 Ų | 133.2 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | | | cis | -171.7 | 161 | 1.8 | 20.7 | 0 | 0 | 0 | 0 | 105.9 | | |
| 170 | D | 31.6 | Very low | 32.7 | Very low | 117 Ų | 117 | 128.4 Ų | 128.4 | 63% | 0.626 | 78% | 0.777 | S | S | * | * | | | cis | -175.8 | 171.6 | -6.4 | 177.5 | 16.6 | 0 | 0 | 0 | 108.2 | | |
| 171 | K | 36.2 | Very low | 33.2 | Very low | 168 Ų | 168 | 127.3 Ų | 127.3 | 73% | 0.73 | 77% | 0.77 | S | S | * | * | | | trans | 65.2 | 120.9 | 169.8 | -57.8 | -63 | 175.5 | -73.7 | 0 | 120.5 | | |
| 172 | E | 28.7 | Very low | 33.8 | Very low | 160 Ų | 160 | 127.4 Ų | 127.4 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | | | trans | -87.2 | 178.9 | 153.5 | -117.5 | -146.6 | 106.4 | 0 | 0 | 110.2 | | |
| 173 | P | 43.5 | Very low | 34.5 | Very low | 98 Ų | 98 | 133 Ų | 133 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | | | cis | -138.8 | 157.5 | 13.5 | 39.3 | -20.2 | 0 | 0 | 0 | 119.1 | | |
| 174 | L | 32.8 | Very low | 34.8 | Very low | 147 Ų | 147 | 133.9 Ų | 133.9 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | | | trans | 59.4 | 166.1 | 147.9 | -65.4 | 167.3 | 0 | 0 | 0 | 120.2 | | |
| 175 | P | 47.7 | Very low | 35.6 | Very low | 108 Ų | 108 | 138 Ų | 138 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | | | | -136.6 | 131.6 | -60.7 | 36.8 | -19.6 | 0 | 0 | 0 | 114.5 | | |
| 176 | V | 32.9 | Very low | 36.1 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | | | trans | -139.7 | 149.5 | 171.9 | -176.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 177 | Y | 30.2 | Very low | 36.7 | Very low | 231 Ų | 231 | 135.3 Ų | 135.3 | 91% | 0.906 | 78% | 0.776 | S | S | * | * | | | trans | -41.5 | 147.2 | 176.8 | -74.8 | -108.1 | 0 | 0 | 0 | 116.6 | | |
| 178 | G | 34.8 | Very low | 36.6 | Very low | 79 Ų | 79 | 136.4 Ų | 136.4 | 81% | 0.814 | 77% | 0.772 | S | S | * | * | | | trans | -173.3 | 63 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 179 | T | 36.1 | Very low | 37.2 | Very low | 140 Ų | 140 | 142.4 Ų | 142.4 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | | | trans | -0.7 | 123.1 | 168.6 | -38 | 0 | 0 | 0 | 0 | 121 | | |
| 180 | A | 33.7 | Very low | 37.9 | Very low | 92 Ų | 92 | 146 Ų | 146 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | | | trans | -49.7 | 166.4 | 160.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 181 | S | 35.5 | Very low | 37.9 | Very low | 109 Ų | 109 | 146.1 Ų | 146.1 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | | | cis | -163.6 | 157.1 | -12.9 | 168.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 182 | S | 39.9 | Very low | 37.9 | Very low | 113 Ų | 113 | 147.2 Ų | 147.2 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | | | trans | -70.1 | 173 | 166.1 | 61.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 183 | R | 41.9 | Very low | 38.2 | Very low | 224 Ų | 224 | 147.3 Ų | 147.3 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | | | trans | -66.7 | 164.1 | -170.4 | -61.9 | 169.6 | 165.1 | 173.2 | -6.3 | 115.4 | | |
| 184 | L | 41.6 | Very low | 37.7 | Very low | 139 Ų | 139 | 149.1 Ų | 149.1 | 73% | 0.728 | 80% | 0.8 | S | S | * | * | | | trans | 89.6 | 137.9 | 134.9 | -92.6 | 161.3 | 0 | 0 | 0 | 121.5 | | |
| 185 | K | 41.3 | Very low | 37.5 | Very low | 199 Ų | 199 | 149 Ų | 149 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | | | trans | 78.9 | 137.4 | 159.4 | -63 | 168.8 | -176.2 | 178.7 | 0 | 117.9 | | |
| 186 | G | 38.8 | Very low | 37 | Very low | 67 Ų | 67 | 152.7 Ų | 152.7 | 69% | 0.691 | 81% | 0.808 | S | S | * | * | | | trans | 143 | 63.7 | -174 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 187 | L | 39.8 | Very low | 37 | Very low | 170 Ų | 170 | 153.3 Ų | 153.3 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | | | | 86.8 | 121.4 | 89.7 | -85.7 | 168.5 | 0 | 0 | 0 | 115.4 | | |
| 188 | M | 37.6 | Very low | 37.1 | Very low | 141 Ų | 141 | 149.3 Ų | 149.3 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | | | trans | -5.8 | 127.7 | 154.6 | -74.8 | -92.3 | 92.4 | 0 | 0 | 119.3 | | |
| 189 | R | 44.8 | Very low | 37 | Very low | 212 Ų | 212 | 151.5 Ų | 151.5 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | | | trans | 59.5 | 118.9 | 141.9 | -56.4 | 175.4 | -176.1 | -131.5 | 3.3 | 118.3 | | |
| 190 | K | 45.7 | Very low | 37.7 | Very low | 209 Ų | 209 | 149.9 Ų | 149.9 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | | | | -174.5 | 141.5 | 107.5 | -93 | 146.1 | -171.7 | 177.2 | 0 | 110.4 | | |
| 191 | S | 33.3 | Very low | 37.4 | Very low | 119 Ų | 119 | 156 Ų | 156 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | | | trans | -79.1 | 142.7 | 169.8 | 45.3 | 0 | 0 | 0 | 0 | 110.4 | L193 | S191-L193 PolarHBondContact O-N 2.92Š|
| 192 | K | 35.1 | Very low | 37.1 | Very low | 192 Ų | 192 | 155.8 Ų | 155.8 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | | | trans | -87.7 | 99.4 | -172.8 | -170.8 | 177.6 | -177.7 | -178.8 | 0 | 110.8 | | |
| 193 | L | 35.9 | Very low | 36.7 | Very low | 162 Ų | 162 | 161.7 Ų | 161.7 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | | | trans | -76 | 129.3 | 157.4 | -82.3 | 169.6 | 0 | 0 | 0 | 108.5 | S191 | S191-L193 PolarHBondContact O-N 2.92Š|
| 194 | Q | 32.6 | Very low | 36.1 | Very low | 136 Ų | 136 | 162.4 Ų | 162.4 | 64% | 0.636 | 80% | 0.801 | S | S | * | * | | | trans | -96.4 | 109.9 | -179 | -177 | 168.5 | -25.4 | 0 | 0 | 109.6 | H196 | Q194-H196 PolarHBondContact NE2-NE2 3.39Š|
| 195 | N | 27.7 | Very low | 35.5 | Very low | 145 Ų | 145 | 159.3 Ų | 159.3 | 78% | 0.775 | 80% | 0.802 | S | S | * | * | | | trans | -121.2 | 130.8 | 169.7 | -95.8 | -76.7 | 0 | 0 | 0 | 108.7 | | |
| 196 | H | 37.2 | Very low | 35.1 | Very low | 185 Ų | 185 | 159 Ų | 159 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | | | trans | -111.6 | 131.8 | 169.7 | -72.6 | -77.7 | 0 | 0 | 0 | 107.9 | Q194 | Q194-H196 PolarHBondContact NE2-NE2 3.39Š|
| 197 | N | 33.7 | Very low | 34.7 | Very low | 155 Ų | 155 | 159.8 Ų | 159.8 | 83% | 0.829 | 80% | 0.799 | S | S | * | * | | | trans | -160.1 | 132.7 | 173.6 | -138 | -22.6 | 0 | 0 | 0 | 111.1 | | |
| 198 | N | 31.9 | Very low | 34.4 | Very low | 148 Ų | 148 | 160.6 Ų | 160.6 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | | | trans | 156 | 130.9 | 170.6 | -91 | -16.3 | 0 | 0 | 0 | 107.3 | | |
| 199 | T | 33.7 | Very low | 34 | Very low | 124 Ų | 124 | 159 Ų | 159 | 76% | 0.761 | 79% | 0.792 | S | S | * | * | | | cis | -171.4 | -178 | -13.2 | 0.4 | 0 | 0 | 0 | 0 | 104.8 | | |
| 200 | P | 49.9 | Very low | 33.3 | Very low | 107 Ų | 107 | 158.9 Ų | 158.9 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | | | trans | -115.9 | 175.8 | -140.5 | 43.9 | -38 | 0 | 0 | 0 | 117.5 | | |
| 201 | Y | 28 | Very low | 33.1 | Very low | 221 Ų | 221 | 154.4 Ų | 154.4 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | | | | -172.3 | 159.7 | 127.6 | -116.8 | -81.5 | 0 | 0 | 0 | 115.9 | | |
| 202 | S | 29.6 | Very low | 34.2 | Very low | 103 Ų | 103 | 154 Ų | 154 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | | | trans | 64.3 | 89.1 | 153.7 | -73.5 | 0 | 0 | 0 | 0 | 125.2 | | |
| 203 | R | 30.6 | Very low | 33.9 | Very low | 237 Ų | 237 | 153.8 Ų | 153.8 | 89% | 0.894 | 78% | 0.78 | S | S | * | * | | | | 10.5 | 126.4 | 119.6 | -177.3 | -153.8 | -61.5 | -102.4 | 4.8 | 120.3 | | |
| 204 | R | 30.2 | Very low | 33.6 | Very low | 240 Ų | 240 | 151 Ų | 151 | 91% | 0.906 | 78% | 0.775 | S | S | * | * | | | | 168.6 | 137.3 | 120.6 | 178.7 | -179.3 | -69.8 | -124.7 | 5.4 | 114.4 | | |
| 205 | G | 27.4 | Very low | 34.7 | Very low | 73 Ų | 73 | 149.6 Ų | 149.6 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | | | trans | 84.4 | 158.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 206 | H | 33.9 | Very low | 34.7 | Very low | 193 Ų | 193 | 154.7 Ų | 154.7 | 89% | 0.894 | 79% | 0.786 | S | S | * | * | | | cis | -143.2 | -175.9 | -3.4 | -156 | 67.6 | 0 | 0 | 0 | 110 | | |
| 207 | S | 29.3 | Very low | 34.6 | Very low | 84 Ų | 84 | 151.1 Ų | 151.1 | 59% | 0.587 | 78% | 0.781 | S | S | * | * | | | trans | -135.8 | 148.7 | -157.9 | 55.4 | 0 | 0 | 0 | 0 | 117.4 | | |
| 208 | Q | 33.9 | Very low | 34.4 | Very low | 186 Ų | 186 | 147.3 Ų | 147.3 | 87% | 0.869 | 77% | 0.772 | S | S | * | * | | | trans | 65.6 | 165.2 | 169.4 | -56.5 | -174.8 | -27 | 0 | 0 | 115.1 | | |
| 209 | D | 30.4 | Very low | 34.6 | Very low | 107 Ų | 107 | 149.5 Ų | 149.5 | 57% | 0.572 | 78% | 0.777 | S | S | * | * | | | cis | -151.3 | 172.5 | 6.1 | -164.7 | 18.2 | 0 | 0 | 0 | 112.6 | | |
| 210 | R | 30.3 | Very low | 34.4 | Very low | 210 Ų | 210 | 149.2 Ų | 149.2 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | | | trans | 61.7 | 129.3 | 151.7 | -94 | 172.1 | 174.8 | 97.1 | -9.5 | 124 | | |
| 211 | P | 41.2 | Very low | 33.6 | Very low | 116 Ų | 116 | 148.9 Ų | 148.9 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | | | trans | -111.1 | -164.7 | 142.3 | 42.7 | -32.7 | 0 | 0 | 0 | 110.3 | | |
| 212 | P | 56.4 | Low | 34 | Very low | 109 Ų | 109 | 144.8 Ų | 144.8 | 71% | 0.708 | 78% | 0.784 | S | S | * | * | | | cis | -122.6 | 178.7 | -22.8 | 41.1 | -27.5 | 0 | 0 | 0 | 113.1 | | |
| 213 | E | 27.5 | Very low | 35.1 | Very low | 188 Ų | 188 | 145.3 Ų | 145.3 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | | | trans | -167.2 | 170.1 | 149.3 | -142 | 71.7 | -91.8 | 0 | 0 | 112.2 | | |
| 214 | S | 30 | Very low | 36 | Very low | 105 Ų | 105 | 139.7 Ų | 139.7 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | | | trans | -170.4 | 173.4 | -175.7 | -168.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 215 | P | 55.5 | Low | 36 | Very low | 106 Ų | 106 | 133.1 Ų | 133.1 | 69% | 0.688 | 78% | 0.776 | S | S | * | * | | | cis | -121.6 | 176.5 | -35.4 | 35.1 | -20.8 | 0 | 0 | 0 | 112.8 | | |
| 216 | R | 29.1 | Very low | 36.6 | Very low | 252 Ų | 252 | 134.1 Ų | 134.1 | 95% | 0.951 | 78% | 0.778 | S | S | * | * | | | trans | -176.5 | 178.5 | 136.3 | -103.3 | 160.1 | -174.5 | 174.2 | 2.9 | 113.2 | | |
| 217 | S | 33 | Very low | 37 | Very low | 109 Ų | 109 | 131.1 Ų | 131.1 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | | | trans | -129.4 | 161.2 | -155.2 | 58.3 | 0 | 0 | 0 | 0 | 116.2 | | |
| 218 | A | 31 | Very low | 37.7 | Very low | 76 Ų | 76 | 132.2 Ų | 132.2 | 63% | 0.628 | 79% | 0.789 | S | S | * | * | | | trans | 105.6 | 154.8 | 141.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 219 | H | 34.8 | Very low | 37.8 | Very low | 193 Ų | 193 | 127.4 Ų | 127.4 | 89% | 0.894 | 78% | 0.781 | S | S | * | * | | | trans | 81.1 | 160.1 | 174.7 | -53.1 | -69 | 0 | 0 | 0 | 117.5 | | |
| 220 | S | 30.8 | Very low | 38.7 | Very low | 119 Ų | 119 | 129.1 Ų | 129.1 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | | | trans | -141.9 | 133.6 | -144 | 178.1 | 0 | 0 | 0 | 0 | 113.5 | | |
| 221 | A | 33.6 | Very low | 39.3 | Very low | 99 Ų | 99 | 126.1 Ų | 126.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -159.9 | 152.1 | 157.7 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 222 | T | 36.3 | Very low | 39.9 | Very low | 135 Ų | 135 | 125.8 Ų | 125.8 | 83% | 0.828 | 80% | 0.796 | S | S | * | * | | | trans | -130.9 | 168.5 | 177.8 | 20.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 223 | P | 52.9 | Low | 39.8 | Very low | 114 Ų | 114 | 123.6 Ų | 123.6 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | | | cis | -121.6 | -152.4 | -18.9 | 42.7 | -26.3 | 0 | 0 | 0 | 109 | | |
| 224 | P | 47.6 | Very low | 41.5 | Very low | 120 Ų | 120 | 117.8 Ų | 117.8 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | | | cis | -130.5 | -158.8 | -11.3 | 43.7 | -26 | 0 | 0 | 0 | 113.9 | | |
| 225 | A | 31.1 | Very low | 43.3 | Very low | 102 Ų | 102 | 117.2 Ų | 117.2 | 84% | 0.843 | 76% | 0.756 | S | S | * | * | | | trans | 84.1 | 144.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 226 | A | 39.3 | Very low | 44.3 | Very low | 94 Ų | 94 | 115.5 Ų | 115.5 | 78% | 0.777 | 75% | 0.75 | S | S | * | * | | | trans | -93.2 | 160.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 227 | P | 42.8 | Very low | 46.6 | Very low | 130 Ų | 130 | 108.9 Ų | 108.9 | 84% | 0.844 | 73% | 0.73 | S | S | * | * | | | | -139.1 | -177.2 | 101.5 | 39.9 | -28.7 | 0 | 0 | 0 | 114.3 | | |
| 228 | A | 44.3 | Very low | 48.8 | Very low | 106 Ų | 106 | 110.5 Ų | 110.5 | 88% | 0.876 | 72% | 0.719 | S | S | * | * | | | trans | -61.1 | 138.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 229 | A | 35.8 | Very low | 51.3 | Low | 86 Ų | 86 | 112.7 Ų | 112.7 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | | | trans | -118.2 | 146.5 | 154.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | D231 | A229-D231 PolarHBondContact O-N 3.48Š|
| 230 | T | 49.4 | Very low | 53.6 | Low | 142 Ų | 142 | 110.8 Ų | 110.8 | 87% | 0.871 | 71% | 0.709 | S | S | * | * | | | trans | -85.4 | 93.7 | -179.7 | 50.6 | 0 | 0 | 0 | 0 | 110.8 | S232 | T230-S232 PolarHBondContact O-N 2.93Š|
| 231 | D | 43.6 | Very low | 55.7 | Low | 148 Ų | 148 | 107.8 Ų | 107.8 | 79% | 0.791 | 69% | 0.692 | S | S | * | * | | | trans | -61.9 | 104.6 | 174.5 | -78 | -39 | 0 | 0 | 0 | 111.2 | A229 V233 | A229-D231 PolarHBondContact O-N 3.48Å; D231-V233 PolarHBondContact O-N 3Å |
| 232 | S | 52.2 | Low | 58 | Low | 108 Ų | 108 | 107.3 Ų | 107.3 | 76% | 0.755 | 68% | 0.678 | S | S | * | * | | | trans | -75.3 | 72.1 | 175.8 | 59.9 | 0 | 0 | 0 | 0 | 110.2 | T230 S234 | T230-S232 PolarHBondContact O-N 2.93Å; S232-S234 PolarHBondContact O-N 3.23Å |
| 233 | V | 55.4 | Low | 59.8 | Low | 64 Ų | 64 | 103.6 Ų | 103.6 | 39% | 0.388 | 66% | 0.661 | S | S | . | * | | | trans | -40 | 113.5 | -174.2 | -171.3 | 0 | 0 | 0 | 0 | 111 | D231 E237 R238 | D231-V233 PolarHBondContact O-N 3Å; V233-E237 HydrophobicContact CG1-CB 4.09Å; V233-E237 HydrophobicContact CG1-CG 4Å; V233-R238 HydrophobicContact CB-CG 4.4Å; V233-R238 HydrophobicContact CG1-CG 3.92Å; V233-R238 VanDerWaalsContact O-CZ 3.24Å; V233-R238 PolarHBondContact O-NE 2.95Å; V233-R238 PolarHBondContact O-NH2 3.48Å |
| 234 | S | 63.7 | Low | 60.7 | Low | 65 Ų | 65 | 102.6 Ų | 102.6 | 46% | 0.455 | 65% | 0.65 | S | S | . | * | | | trans | -56.6 | 147.2 | -170.3 | 176.2 | 0 | 0 | 0 | 0 | 111.4 | S232 A236 E237 R238 | S232-S234 PolarHBondContact O-N 3.23Å; S234-A236 PolarHBondContact O-N 3.15Å; S234-A236 PolarHBondContact OG-N 2.8Å; S234-E237 WeakPolarHBondContact O-CA 3.09Å; S234-E237 WeakPolarHBondContact O-CB 3.27Å; S234-E237 PolarHBondContact O-N 3.19Å; S234-R238 PolarHBondContact O-N 3.39Å |
| 235 | C | 66.1 | Low | 61.8 | Low | 94 Ų | 94 | 102 Ų | 102 | 64% | 0.635 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -57.1 | -34.4 | 173.6 | -80 | 0 | 0 | 0 | 0 | 111.7 | E237 L239 | C235-E237 VanDerWaalsContact C-N 3.28Å; C235-E237 PolarHBondContact O-N 3.36Å; C235-L239 VanDerWaalsContact O-CB 3.28Å; C235-L239 WeakPolarHBondContact O-CB 3.49Å; C235-L239 WeakPolarHBondContact O-CG 3.38Å; C235-L239 PolarHBondContact O-N 3.23Å |
| 236 | A | 78.1 | Confident | 63.6 | Low | 69 Ų | 69 | 101.4 Ų | 101.4 | 57% | 0.57 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -62.7 | -35.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | S234 K240 | S234-A236 PolarHBondContact O-N 3.15Å; S234-A236 PolarHBondContact OG-N 2.8Å; A236-K240 VanDerWaalsContact O-CB 3.23Å; A236-K240 WeakPolarHBondContact O-CB 3.26Å; A236-K240 PolarHBondContact O-N 3.34Å |
| 237 | E | 77.1 | Confident | 64.7 | Low | 113 Ų | 113 | 103.7 Ų | 103.7 | 53% | 0.528 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -80.4 | -38.4 | -178.8 | -171.7 | 161.2 | -122.4 | 0 | 0 | 112.5 | V233 S234 C235 K240 A241 | V233-E237 HydrophobicContact CG1-CB 4.09Å; V233-E237 HydrophobicContact CG1-CG 4Å; S234-E237 WeakPolarHBondContact O-CA 3.09Å; S234-E237 WeakPolarHBondContact O-CB 3.27Å; S234-E237 PolarHBondContact O-N 3.19Å; C235-E237 VanDerWaalsContact C-N 3.28Å; C235-E237 PolarHBondContact O-N 3.36Å; E237-K240 PolarHBondContact O-N 3.27Å; E237-A241 WeakPolarHBondContact O-CB 3.2Å; E237-A241 PolarHBondContact O-N 3.26Å |
| 238 | R | 78.9 | Confident | 65.4 | Low | 144 Ų | 144 | 103.3 Ų | 103.3 | 54% | 0.543 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -61.3 | -42.2 | 167.2 | -87 | -179.2 | -92.1 | -162.5 | -4 | 111.7 | V233 S234 A241 V242 | V233-R238 HydrophobicContact CB-CG 4.4Å; V233-R238 HydrophobicContact CG1-CG 3.92Å; V233-R238 VanDerWaalsContact O-CZ 3.24Å; V233-R238 PolarHBondContact O-NE 2.95Å; V233-R238 PolarHBondContact O-NH2 3.48Å; S234-R238 PolarHBondContact O-N 3.39Å; R238-A241 PolarHBondContact O-N 3.36Å; R238-V242 WeakPolarHBondContact O-CG2 3.25Å; R238-V242 PolarHBondContact O-N 2.95Å |
| 239 | L | 84.3 | Confident | 66 | Low | 121 Ų | 121 | 108 Ų | 108 | 63% | 0.634 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.6 | -38.6 | 173.2 | -73 | 169.4 | 0 | 0 | 0 | 112.1 | C235 V242 A243 | C235-L239 VanDerWaalsContact O-CB 3.28Å; C235-L239 WeakPolarHBondContact O-CB 3.49Å; C235-L239 WeakPolarHBondContact O-CG 3.38Å; C235-L239 PolarHBondContact O-N 3.23Å; L239-V242 PolarHBondContact O-N 3.03Å; L239-A243 VanDerWaalsContact O-CB 3.24Å; L239-A243 WeakPolarHBondContact O-CB 3.31Å; L239-A243 PolarHBondContact O-N 3.5Å |
| 240 | K | 81.5 | Confident | 66.8 | Low | 153 Ų | 153 | 107.7 Ų | 107.7 | 67% | 0.665 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.5 | -39.6 | 174.2 | -170.6 | 177.5 | -178.3 | -176.5 | 0 | 112 | A236 E237 A243 N244 | A236-K240 VanDerWaalsContact O-CB 3.23Å; A236-K240 WeakPolarHBondContact O-CB 3.26Å; A236-K240 PolarHBondContact O-N 3.34Å; E237-K240 PolarHBondContact O-N 3.27Å; K240-A243 PolarHBondContact O-N 2.97Å; K240-N244 WeakPolarHBondContact O-CB 3.29Å; K240-N244 PolarHBondContact O-N 3.32Å |
| 241 | A | 76.9 | Confident | 66.6 | Low | 57 Ų | 57 | 104.6 Ų | 104.6 | 47% | 0.471 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.5 | -44.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | E237 R238 N244 M245 | E237-A241 WeakPolarHBondContact O-CB 3.2Å; E237-A241 PolarHBondContact O-N 3.26Å; R238-A241 PolarHBondContact O-N 3.36Å; A241-N244 PolarHBondContact O-N 3.39Å; A241-M245 PolarHBondContact O-N 3.48Å |
| 242 | V | 80 | Confident | 66.7 | Low | 88 Ų | 88 | 103.4 Ų | 103.4 | 53% | 0.533 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.6 | -44.7 | 173.4 | 170 | 0 | 0 | 0 | 0 | 110.9 | R238 L239 N244 M245 V246 | R238-V242 WeakPolarHBondContact O-CG2 3.25Å; R238-V242 PolarHBondContact O-N 2.95Å; L239-V242 PolarHBondContact O-N 3.03Å; V242-N244 VanDerWaalsContact C-N 3.32Å; V242-N244 PolarHBondContact O-N 3.48Å; V242-M245 PolarHBondContact O-N 2.96Å; V242-V246 HydrophobicContact CG1-CG2 4.47Å; V242-V246 WeakPolarHBondContact O-CG2 3.43Å; V242-V246 PolarHBondContact O-N 2.87Å |
| 243 | A | 74.6 | Confident | 66.6 | Low | 58 Ų | 58 | 102.4 Ų | 102.4 | 48% | 0.479 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.6 | -38.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L239 K240 V246 K247 | L239-A243 VanDerWaalsContact O-CB 3.24Å; L239-A243 WeakPolarHBondContact O-CB 3.31Å; L239-A243 PolarHBondContact O-N 3.5Å; K240-A243 PolarHBondContact O-N 2.97Å; A243-V246 PolarHBondContact O-N 2.93Å; A243-K247 VanDerWaalsContact O-CB 3.3Å; A243-K247 WeakPolarHBondContact O-CB 3.49Å; A243-K247 PolarHBondContact O-N 3.2Å |
| 244 | N | 72.1 | Confident | 66.3 | Low | 93 Ų | 93 | 105.3 Ų | 105.3 | 50% | 0.497 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67.7 | -41.7 | 173.3 | -119.5 | 5.4 | 0 | 0 | 0 | 111.8 | K240 A241 V242 V246 K247 I248 | K240-N244 WeakPolarHBondContact O-CB 3.29Å; K240-N244 PolarHBondContact O-N 3.32Å; A241-N244 PolarHBondContact O-N 3.39Å; V242-N244 VanDerWaalsContact C-N 3.32Å; V242-N244 PolarHBondContact O-N 3.48Å; N244-V246 VanDerWaalsContact C-N 3.33Å; N244-V246 PolarHBondContact O-N 3.44Å; N244-K247 WeakPolarHBondContact O-CB 3.47Å; N244-K247 PolarHBondContact O-N 3.37Å; N244-I248 WeakPolarHBondContact O-CB 3.3Å; N244-I248 WeakPolarHBondContact O-CD1 3.43Å; N244-I248 WeakPolarHBondContact O-CG1 3.32Å; N244-I248 PolarHBondContact O-N 3.25Å |
| 245 | M | 70.2 | Confident | 65.7 | Low | 108 Ų | 108 | 107 Ų | 107 | 53% | 0.532 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64 | -36.6 | 174.7 | -75.7 | -162.1 | 74.4 | 0 | 0 | 112.8 | A241 V242 R249 | A241-M245 PolarHBondContact O-N 3.48Å; V242-M245 PolarHBondContact O-N 2.96Å; M245-R249 WeakPolarHBondContact O-CB 3.49Å; M245-R249 WeakPolarHBondContact O-CG 3.1Å; M245-R249 PolarHBondContact O-N 3.03Å |
| 246 | V | 69.4 | Low | 65.4 | Low | 88 Ų | 88 | 108.3 Ų | 108.3 | 53% | 0.533 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.7 | -47 | 170.6 | 170.9 | 0 | 0 | 0 | 0 | 109.8 | V242 A243 N244 I248 R249 S250 | V242-V246 HydrophobicContact CG1-CG2 4.47Å; V242-V246 WeakPolarHBondContact O-CG2 3.43Å; V242-V246 PolarHBondContact O-N 2.87Å; A243-V246 PolarHBondContact O-N 2.93Å; N244-V246 VanDerWaalsContact C-N 3.33Å; N244-V246 PolarHBondContact O-N 3.44Å; V246-I248 VanDerWaalsContact C-N 3.34Å; V246-I248 PolarHBondContact O-N 3.4Å; V246-R249 CarbonylContact O-C 3.38Å; V246-R249 WeakPolarHBondContact O-CA 3.44Å; V246-R249 PolarHBondContact O-N 2.85Å; V246-S250 WeakPolarHBondContact O-CB 3.16Å; V246-S250 PolarHBondContact O-N 2.84Å; V246-S250 PolarHBondContact O-OG 2.95Å |
| 247 | K | 62.7 | Low | 64.7 | Low | 142 Ų | 142 | 114.4 Ų | 114.4 | 62% | 0.617 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -59.1 | -40.5 | 178.2 | -169.5 | 174.5 | -177.9 | 178.9 | 0 | 113 | A243 N244 R249 S250 S251 | A243-K247 VanDerWaalsContact O-CB 3.3Å; A243-K247 WeakPolarHBondContact O-CB 3.49Å; A243-K247 PolarHBondContact O-N 3.2Å; N244-K247 WeakPolarHBondContact O-CB 3.47Å; N244-K247 PolarHBondContact O-N 3.37Å; K247-R249 VanDerWaalsContact C-N 3.27Å; K247-R249 PolarHBondContact O-N 2.9Å; K247-S250 WeakPolarHBondContact CA-OG 3.21Å; K247-S250 PolarHBondContact O-N 3.3Å; K247-S250 PolarHBondContact O-OG 3.14Å; K247-S251 PolarHBondContact O-N 2.81Å; K247-S251 PolarHBondContact O-OG 3.02Å |
| 248 | I | 57 | Low | 63.9 | Low | 123 Ų | 123 | 113.2 Ų | 113.2 | 63% | 0.631 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -67.5 | -27.9 | 175.7 | -66.6 | 160.1 | 0 | 0 | 0 | 111.5 | N244 V246 | N244-I248 WeakPolarHBondContact O-CB 3.3Å; N244-I248 WeakPolarHBondContact O-CD1 3.43Å; N244-I248 WeakPolarHBondContact O-CG1 3.32Å; N244-I248 PolarHBondContact O-N 3.25Å; V246-I248 VanDerWaalsContact C-N 3.34Å; V246-I248 PolarHBondContact O-N 3.4Å |
| 249 | R | 57.4 | Low | 63.2 | Low | 203 Ų | 203 | 110 Ų | 110 | 77% | 0.766 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -94.4 | -15 | 177.8 | -69.9 | 179 | 176.3 | -159.4 | -0.8 | 114.6 | M245 V246 K247 | M245-R249 WeakPolarHBondContact O-CB 3.49Å; M245-R249 WeakPolarHBondContact O-CG 3.1Å; M245-R249 PolarHBondContact O-N 3.03Å; V246-R249 CarbonylContact O-C 3.38Å; V246-R249 WeakPolarHBondContact O-CA 3.44Å; V246-R249 PolarHBondContact O-N 2.85Å; K247-R249 VanDerWaalsContact C-N 3.27Å; K247-R249 PolarHBondContact O-N 2.9Å |
| 250 | S | 51.2 | Low | 62.4 | Low | 81 Ų | 81 | 109.1 Ų | 109.1 | 57% | 0.566 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -93.3 | -11.1 | 176.8 | 66.4 | 0 | 0 | 0 | 0 | 113.3 | V246 K247 P252 | V246-S250 WeakPolarHBondContact O-CB 3.16Å; V246-S250 PolarHBondContact O-N 2.84Å; V246-S250 PolarHBondContact O-OG 2.95Å; K247-S250 WeakPolarHBondContact CA-OG 3.21Å; K247-S250 PolarHBondContact O-N 3.3Å; K247-S250 PolarHBondContact O-OG 3.14Å; S250-P252 WeakPolarHBondContact O-CD 3.28Å |
| 251 | S | 45.3 | Very low | 62 | Low | 77 Ų | 77 | 104.4 Ų | 104.4 | 54% | 0.538 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -59.4 | 124.3 | 162.4 | -65.4 | 0 | 0 | 0 | 0 | 109.2 | K247 A253 | K247-S251 PolarHBondContact O-N 2.81Å; K247-S251 PolarHBondContact O-OG 3.02Å; S251-A253 PolarHBondContact O-N 2.92Å |
| 252 | P | 47.4 | Very low | 61.7 | Low | 123 Ų | 123 | 105 Ų | 105 | 80% | 0.799 | 62% | 0.62 | S | S | * | * | | | trans | -60.3 | 112.5 | 169.9 | -20.6 | 32.9 | 0 | 0 | 0 | 108.6 | S250 | S250-P252 WeakPolarHBondContact O-CD 3.28Š|
| 253 | A | 49.5 | Very low | 61.4 | Low | 87 Ų | 87 | 103 Ų | 103 | 72% | 0.719 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 130.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | S251 S255 | S251-A253 PolarHBondContact O-N 2.92Å; A253-S255 PolarHBondContact O-N 3.03Å |
| 254 | P | 49.5 | Very low | 61.7 | Low | 125 Ų | 125 | 105.6 Ų | 105.6 | 81% | 0.812 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 121 | 174.6 | -26.2 | 34.7 | 0 | 0 | 0 | 108.9 | | |
| 255 | S | 51.1 | Low | 62.1 | Low | 99 Ų | 99 | 106.1 Ų | 106.1 | 69% | 0.692 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 130.8 | -175.9 | 53.3 | 0 | 0 | 0 | 0 | 109.1 | A253 K257 | A253-S255 PolarHBondContact O-N 3.03Å; S255-K257 PolarHBondContact O-N 3.08Å |
| 256 | P | 59.3 | Low | 62.6 | Low | 123 Ų | 123 | 103.4 Ų | 103.4 | 80% | 0.799 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 122.2 | -180 | 23.3 | -33.1 | 0 | 0 | 0 | 108 | | |
| 257 | K | 62.5 | Low | 63.1 | Low | 196 Ų | 196 | 105.1 Ų | 105.1 | 85% | 0.852 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 126.5 | -177.2 | -65.4 | -179.3 | 179.5 | -178.2 | 0 | 107.7 | S255 S259 | S255-K257 PolarHBondContact O-N 3.08Å; K257-S259 PolarHBondContact O-N 3.34Å |
| 258 | P | 60.1 | Low | 64 | Low | 88 Ų | 88 | 103.4 Ų | 103.4 | 57% | 0.571 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 130.9 | -178.7 | 22.6 | -32.7 | 0 | 0 | 0 | 108 | C262 | P258-C262 HydrophobicContact CB-CB 4.41Š|
| 259 | S | 64.3 | Low | 65.3 | Low | 76 Ų | 76 | 103.1 Ų | 103.1 | 53% | 0.531 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -57.2 | 149.9 | -178.4 | 63.5 | 0 | 0 | 0 | 0 | 109.4 | K257 A261 C262 S263 | K257-S259 PolarHBondContact O-N 3.34Å; S259-A261 PolarHBondContact O-N 3.4Å; S259-C262 WeakPolarHBondContact O-CA 3.4Å; S259-C262 WeakPolarHBondContact O-CB 3.48Å; S259-C262 PolarHBondContact O-N 3.38Å; S259-C262 WeakPolarHBondContact OG-CB 3.35Å; S259-C262 PolarHBondContact OG-N 3.43Å; S259-S263 PolarHBondContact O-N 2.81Å; S259-S263 PolarHBondContact O-OG 2.83Å |
| 260 | V | 68.9 | Low | 66.2 | Low | 103 Ų | 103 | 97 Ų | 97 | 62% | 0.624 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -55 | -33.7 | -176.9 | 179.6 | 0 | 0 | 0 | 0 | 111.5 | S263 Q264 | V260-S263 WeakPolarHBondContact CA-OG 3.46Å; V260-S263 PolarHBondContact O-OG 3.41Å; V260-S263 VanDerWaalsContact O-OG 3.07Å; V260-Q264 HydrophobicContact CG1-CG 4.45Å; V260-Q264 VanDerWaalsContact O-CB 3.29Å; V260-Q264 WeakPolarHBondContact O-CB 3.31Å; V260-Q264 WeakPolarHBondContact O-CG 3.47Å; V260-Q264 PolarHBondContact O-N 2.86Å |
| 261 | A | 72.6 | Confident | 67.6 | Low | 55 Ų | 55 | 96.4 Ų | 96.4 | 46% | 0.455 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.2 | -38.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S259 Q264 L265 | S259-A261 PolarHBondContact O-N 3.4Å; A261-Q264 PolarHBondContact O-N 3.44Å; A261-L265 WeakPolarHBondContact O-CB 3.39Å; A261-L265 VanDerWaalsContact O-CG 3.24Å; A261-L265 WeakPolarHBondContact O-CG 3.31Å; A261-L265 PolarHBondContact O-N 2.96Å |
| 262 | C | 70.4 | Confident | 69.6 | Low | 69 Ų | 69 | 97.8 Ų | 97.8 | 47% | 0.466 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.5 | -40.1 | 177.4 | -173.6 | 0 | 0 | 0 | 0 | 111.9 | P258 S259 L265 A266 | P258-C262 HydrophobicContact CB-CB 4.41Å; S259-C262 WeakPolarHBondContact O-CA 3.4Å; S259-C262 WeakPolarHBondContact O-CB 3.48Å; S259-C262 PolarHBondContact O-N 3.38Å; S259-C262 WeakPolarHBondContact OG-CB 3.35Å; S259-C262 PolarHBondContact OG-N 3.43Å; C262-L265 PolarHBondContact O-N 2.87Å; C262-A266 WeakPolarHBondContact O-CB 3.26Å; C262-A266 PolarHBondContact O-N 2.78Å |
| 263 | S | 73.6 | Confident | 71.3 | Confident | 46 Ų | 46 | 94.6 Ų | 94.6 | 32% | 0.322 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69.5 | -37.1 | 172.6 | 51.3 | 0 | 0 | 0 | 0 | 112.5 | S259 V260 A266 L267 | S259-S263 PolarHBondContact O-N 2.81Å; S259-S263 PolarHBondContact O-OG 2.83Å; V260-S263 WeakPolarHBondContact CA-OG 3.46Å; V260-S263 PolarHBondContact O-OG 3.41Å; V260-S263 VanDerWaalsContact O-OG 3.07Å; S263-A266 PolarHBondContact O-N 3.35Å; S263-L267 WeakPolarHBondContact O-CB 3.44Å; S263-L267 WeakPolarHBondContact O-CG 3.33Å; S263-L267 PolarHBondContact O-N 3.46Å |
| 264 | Q | 81.8 | Confident | 72.9 | Confident | 112 Ų | 112 | 96.5 Ų | 96.5 | 52% | 0.523 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.6 | -43.5 | 171.5 | -77.4 | 170.9 | -6.3 | 0 | 0 | 112.4 | V260 A261 L267 L268 | V260-Q264 HydrophobicContact CG1-CG 4.45Å; V260-Q264 VanDerWaalsContact O-CB 3.29Å; V260-Q264 WeakPolarHBondContact O-CB 3.31Å; V260-Q264 WeakPolarHBondContact O-CG 3.47Å; V260-Q264 PolarHBondContact O-N 2.86Å; A261-Q264 PolarHBondContact O-N 3.44Å; Q264-L267 PolarHBondContact O-N 3.25Å; Q264-L268 WeakPolarHBondContact O-CB 3.19Å; Q264-L268 VanDerWaalsContact O-CG 3.32Å; Q264-L268 WeakPolarHBondContact O-CG 3.49Å; Q264-L268 PolarHBondContact O-N 3.06Å |
| 265 | L | 79.6 | Confident | 74.7 | Confident | 105 Ų | 105 | 96.1 Ų | 96.1 | 55% | 0.55 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.5 | -39.8 | 174.5 | -73.8 | 169.9 | 0 | 0 | 0 | 111.9 | A261 C262 L268 L269 | A261-L265 WeakPolarHBondContact O-CB 3.39Å; A261-L265 VanDerWaalsContact O-CG 3.24Å; A261-L265 WeakPolarHBondContact O-CG 3.31Å; A261-L265 PolarHBondContact O-N 2.96Å; C262-L265 PolarHBondContact O-N 2.87Å; L265-L268 PolarHBondContact O-N 2.66Å; L265-L269 WeakPolarHBondContact O-CB 3.4Å; L265-L269 VanDerWaalsContact O-CG 3.23Å; L265-L269 WeakPolarHBondContact O-CG 3.39Å; L265-L269 PolarHBondContact O-N 3.33Å |
| 266 | A | 80.6 | Confident | 76.4 | Confident | 51 Ų | 51 | 96.9 Ų | 96.9 | 42% | 0.421 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.2 | -40.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | C262 S263 S270 | C262-A266 WeakPolarHBondContact O-CB 3.26Å; C262-A266 PolarHBondContact O-N 2.78Å; S263-A266 PolarHBondContact O-N 3.35Å; A266-S270 VanDerWaalsContact O-CB 3.27Å; A266-S270 WeakPolarHBondContact O-CB 3.38Å; A266-S270 PolarHBondContact O-N 2.81Å; A266-S270 PolarHBondContact O-OG 3.49Å |
| 267 | L | 79.5 | Confident | 77.5 | Confident | 123 Ų | 123 | 96.3 Ų | 96.3 | 64% | 0.644 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.1 | -43.3 | 174.9 | -73.4 | 168.9 | 0 | 0 | 0 | 112.1 | S263 Q264 S270 S271 | S263-L267 WeakPolarHBondContact O-CB 3.44Å; S263-L267 WeakPolarHBondContact O-CG 3.33Å; S263-L267 PolarHBondContact O-N 3.46Å; Q264-L267 PolarHBondContact O-N 3.25Å; L267-S270 PolarHBondContact O-N 2.97Å; L267-S271 WeakPolarHBondContact O-CB 3.42Å; L267-S271 PolarHBondContact O-N 3.06Å; L267-S271 PolarHBondContact O-OG 3.4Å |
| 268 | L | 83.4 | Confident | 78.6 | Confident | 107 Ų | 107 | 92.6 Ų | 92.6 | 56% | 0.56 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.4 | -52.5 | 175.3 | -78.1 | 163.9 | 0 | 0 | 0 | 111.1 | Q264 L265 S270 S271 E272 | Q264-L268 WeakPolarHBondContact O-CB 3.19Å; Q264-L268 VanDerWaalsContact O-CG 3.32Å; Q264-L268 WeakPolarHBondContact O-CG 3.49Å; Q264-L268 PolarHBondContact O-N 3.06Å; L265-L268 PolarHBondContact O-N 2.66Å; L268-S270 VanDerWaalsContact C-N 3.29Å; L268-S270 PolarHBondContact O-N 2.83Å; L268-S271 PolarHBondContact O-N 3.12Å; L268-S271 VanDerWaalsContact O-N 3.13Å; L268-S271 PolarHBondContact O-OG 3.37Å; L268-E272 PolarHBondContact O-N 2.88Å |
| 269 | L | 82.6 | Confident | 79.9 | Confident | 117 Ų | 117 | 92 Ų | 92 | 61% | 0.613 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.6 | -35.9 | 177.6 | -69.1 | 169.1 | 0 | 0 | 0 | 112.4 | L265 A273 | L265-L269 WeakPolarHBondContact O-CB 3.4Å; L265-L269 VanDerWaalsContact O-CG 3.23Å; L265-L269 WeakPolarHBondContact O-CG 3.39Å; L265-L269 PolarHBondContact O-N 3.33Å; L269-A273 VanDerWaalsContact O-CB 3.29Å; L269-A273 WeakPolarHBondContact O-CB 3.33Å; L269-A273 PolarHBondContact O-N 3.07Å |
| 270 | S | 78.1 | Confident | 81.1 | Confident | 74 Ų | 74 | 97.3 Ų | 97.3 | 52% | 0.517 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.8 | -40.9 | 174 | -58.7 | 0 | 0 | 0 | 0 | 111.9 | A266 L267 L268 A273 H274 | A266-S270 VanDerWaalsContact O-CB 3.27Å; A266-S270 WeakPolarHBondContact O-CB 3.38Å; A266-S270 PolarHBondContact O-N 2.81Å; A266-S270 PolarHBondContact O-OG 3.49Å; L267-S270 PolarHBondContact O-N 2.97Å; L268-S270 VanDerWaalsContact C-N 3.29Å; L268-S270 PolarHBondContact O-N 2.83Å; S270-A273 PolarHBondContact O-N 2.77Å; S270-H274 WeakPolarHBondContact O-CB 3.29Å; S270-H274 PolarHBondContact O-N 3.38Å |
| 271 | S | 79.3 | Confident | 81.9 | Confident | 69 Ų | 69 | 97.3 Ų | 97.3 | 48% | 0.483 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.7 | -36.4 | 177.2 | 73.4 | 0 | 0 | 0 | 0 | 112.4 | L267 L268 H274 L275 | L267-S271 WeakPolarHBondContact O-CB 3.42Å; L267-S271 PolarHBondContact O-N 3.06Å; L267-S271 PolarHBondContact O-OG 3.4Å; L268-S271 PolarHBondContact O-N 3.12Å; L268-S271 VanDerWaalsContact O-N 3.13Å; L268-S271 PolarHBondContact O-OG 3.37Å; S271-H274 PolarHBondContact O-N 2.87Å; S271-L275 WeakPolarHBondContact O-CB 3.41Å; S271-L275 PolarHBondContact O-N 3.23Å |
| 272 | E | 87.1 | Confident | 82.5 | Confident | 106 Ų | 106 | 99 Ų | 99 | 50% | 0.495 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -72.5 | -41.4 | 175.1 | -165.4 | 179.6 | 156.2 | 0 | 0 | 111.4 | L268 H274 L275 Q276 | L268-E272 PolarHBondContact O-N 2.88Å; E272-H274 VanDerWaalsContact C-N 3.29Å; E272-H274 PolarHBondContact O-N 3.27Å; E272-L275 PolarHBondContact O-N 2.96Å; E272-Q276 HydrophobicContact CG-CG 4.41Å; E272-Q276 WeakPolarHBondContact O-CB 3.48Å; E272-Q276 VanDerWaalsContact O-CG 3.29Å; E272-Q276 WeakPolarHBondContact O-CG 3.36Å; E272-Q276 PolarHBondContact O-N 3.39Å; E272-Q276 PolarHBondContact OE1-NE2 2.84Å |
| 273 | A | 83.8 | Confident | 83.2 | Confident | 56 Ų | 56 | 98 Ų | 98 | 46% | 0.463 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.7 | -41.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L269 S270 Q276 Q277 | L269-A273 VanDerWaalsContact O-CB 3.29Å; L269-A273 WeakPolarHBondContact O-CB 3.33Å; L269-A273 PolarHBondContact O-N 3.07Å; S270-A273 PolarHBondContact O-N 2.77Å; A273-Q276 PolarHBondContact O-N 2.83Å; A273-Q277 WeakPolarHBondContact O-CB 3.41Å; A273-Q277 PolarHBondContact O-N 3.34Å |
| 274 | H | 83.5 | Confident | 83.6 | Confident | 126 Ų | 126 | 99.8 Ų | 99.8 | 58% | 0.583 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.9 | -40.1 | 174.7 | -171.5 | -102.2 | 0 | 0 | 0 | 112.3 | S270 S271 E272 Q277 Y278 | S270-H274 WeakPolarHBondContact O-CB 3.29Å; S270-H274 PolarHBondContact O-N 3.38Å; S271-H274 PolarHBondContact O-N 2.87Å; E272-H274 VanDerWaalsContact C-N 3.29Å; E272-H274 PolarHBondContact O-N 3.27Å; H274-Q277 PolarHBondContact O-N 3.25Å; H274-Y278 WeakPolarHBondContact O-CB 3.29Å; H274-Y278 PolarHBondContact O-N 3.03Å |
| 275 | L | 86.7 | Confident | 83.7 | Confident | 117 Ų | 117 | 101.4 Ų | 101.4 | 61% | 0.613 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.2 | -39.3 | 174.9 | -178 | 61.6 | 0 | 0 | 0 | 112.2 | S271 E272 Y278 S279 | S271-L275 WeakPolarHBondContact O-CB 3.41Å; S271-L275 PolarHBondContact O-N 3.23Å; E272-L275 PolarHBondContact O-N 2.96Å; L275-Y278 PolarHBondContact O-N 3.12Å; L275-S279 WeakPolarHBondContact O-CB 3.48Å; L275-S279 PolarHBondContact O-N 2.84Å |
| 276 | Q | 86.8 | Confident | 83.6 | Confident | 116 Ų | 116 | 98.9 Ų | 98.9 | 54% | 0.542 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.3 | -39.9 | 174.4 | -70.9 | 178.2 | 18.2 | 0 | 0 | 111.3 | E272 A273 R280 | E272-Q276 HydrophobicContact CG-CG 4.41Å; E272-Q276 WeakPolarHBondContact O-CB 3.48Å; E272-Q276 VanDerWaalsContact O-CG 3.29Å; E272-Q276 WeakPolarHBondContact O-CG 3.36Å; E272-Q276 PolarHBondContact O-N 3.39Å; E272-Q276 PolarHBondContact OE1-NE2 2.84Å; A273-Q276 PolarHBondContact O-N 2.83Å; Q276-R280 VanDerWaalsContact O-CB 3.31Å; Q276-R280 WeakPolarHBondContact O-CB 3.29Å; Q276-R280 PolarHBondContact O-N 3.2Å |
| 277 | Q | 83.1 | Confident | 83.4 | Confident | 110 Ų | 110 | 102.7 Ų | 102.7 | 51% | 0.514 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.8 | -50.7 | 172.4 | 179.5 | 174.3 | -20.4 | 0 | 0 | 111.2 | A273 H274 S279 R280 E281 | A273-Q277 WeakPolarHBondContact O-CB 3.41Å; A273-Q277 PolarHBondContact O-N 3.34Å; H274-Q277 PolarHBondContact O-N 3.25Å; Q277-S279 VanDerWaalsContact C-N 3.32Å; Q277-S279 PolarHBondContact O-N 3.04Å; Q277-R280 WeakPolarHBondContact O-CB 3.37Å; Q277-R280 PolarHBondContact O-N 3.05Å; Q277-R280 VanDerWaalsContact O-N 3.12Å; Q277-E281 HydrophobicContact CG-CG 4.42Å; Q277-E281 VanDerWaalsContact CG-OE1 3.26Å; Q277-E281 WeakPolarHBondContact CG-OE1 3.24Å; Q277-E281 PolarHBondContact NE2-OE1 3.42Å; Q277-E281 WeakPolarHBondContact O-CG 3.23Å; Q277-E281 PolarHBondContact O-N 3.24Å |
| 278 | Y | 85.6 | Confident | 82.9 | Confident | 119 Ų | 119 | 102.4 Ų | 102.4 | 47% | 0.467 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.2 | -44 | 178.4 | -171.4 | -90.5 | 0 | 0 | 0 | 111.5 | H274 L275 E281 H282 | H274-Y278 WeakPolarHBondContact O-CB 3.29Å; H274-Y278 PolarHBondContact O-N 3.03Å; L275-Y278 PolarHBondContact O-N 3.12Å; Y278-E281 PolarHBondContact O-N 3.39Å; Y278-H282 AromaticContact CE1-CD2 3.55Å; Y278-H282 AromaticContact CZ-CD2 3.59Å; Y278-H282 AromaticContact CZ-NE2 3.95Å; Y278-H282 WeakPolarHBondContact O-CB 3.28Å; Y278-H282 PolarHBondContact O-N 3.22Å; Y278-H282 PolarHBondContact OH-NE2 3.28Å |
| 279 | S | 86.2 | Confident | 82.3 | Confident | 76 Ų | 76 | 99.8 Ų | 99.8 | 53% | 0.531 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.2 | -44.8 | 174.6 | -177.8 | 0 | 0 | 0 | 0 | 112.3 | L275 Q277 H282 A283 | L275-S279 WeakPolarHBondContact O-CB 3.48Å; L275-S279 PolarHBondContact O-N 2.84Å; Q277-S279 VanDerWaalsContact C-N 3.32Å; Q277-S279 PolarHBondContact O-N 3.04Å; S279-H282 PolarHBondContact O-N 3.23Å; S279-A283 WeakPolarHBondContact O-CB 3.08Å; S279-A283 PolarHBondContact O-N 3.25Å |
| 280 | R | 90.2 | Very high | 81.3 | Confident | 186 Ų | 186 | 95.3 Ų | 95.3 | 70% | 0.702 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.7 | -43.1 | 176 | -178.3 | 178.3 | -179.8 | 171.9 | 0.1 | 112.2 | Q276 Q277 A283 L284 | Q276-R280 VanDerWaalsContact O-CB 3.31Å; Q276-R280 WeakPolarHBondContact O-CB 3.29Å; Q276-R280 PolarHBondContact O-N 3.2Å; Q277-R280 WeakPolarHBondContact O-CB 3.37Å; Q277-R280 PolarHBondContact O-N 3.05Å; Q277-R280 VanDerWaalsContact O-N 3.12Å; R280-A283 PolarHBondContact O-N 3.41Å; R280-L284 HydrophobicContact CG-CD1 4.19Å; R280-L284 WeakPolarHBondContact O-CB 3.3Å; R280-L284 VanDerWaalsContact O-CG 3.31Å; R280-L284 WeakPolarHBondContact O-CG 3.49Å; R280-L284 PolarHBondContact O-N 3.48Å |
| 281 | E | 85.1 | Confident | 80.6 | Confident | 104 Ų | 104 | 100 Ų | 100 | 49% | 0.486 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.8 | -42 | 176.2 | -74 | -179.7 | -155.3 | 0 | 0 | 111.4 | Q277 Y278 L284 K285 | Q277-E281 HydrophobicContact CG-CG 4.42Å; Q277-E281 VanDerWaalsContact CG-OE1 3.26Å; Q277-E281 WeakPolarHBondContact CG-OE1 3.24Å; Q277-E281 PolarHBondContact NE2-OE1 3.42Å; Q277-E281 WeakPolarHBondContact O-CG 3.23Å; Q277-E281 PolarHBondContact O-N 3.24Å; Y278-E281 PolarHBondContact O-N 3.39Å; E281-L284 PolarHBondContact O-N 2.86Å; E281-K285 WeakPolarHBondContact O-CB 3.2Å; E281-K285 PolarHBondContact O-N 3.06Å |
| 282 | H | 84.8 | Confident | 79.9 | Confident | 90 Ų | 90 | 98 Ų | 98 | 42% | 0.417 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.7 | -39.3 | 174.7 | -120.4 | -95.7 | 0 | 0 | 0 | 112.4 | Y278 S279 K285 A286 | Y278-H282 AromaticContact CE1-CD2 3.55Å; Y278-H282 AromaticContact CZ-CD2 3.59Å; Y278-H282 AromaticContact CZ-NE2 3.95Å; Y278-H282 WeakPolarHBondContact O-CB 3.28Å; Y278-H282 PolarHBondContact O-N 3.22Å; Y278-H282 PolarHBondContact OH-NE2 3.28Å; S279-H282 PolarHBondContact O-N 3.23Å; H282-K285 PolarHBondContact O-N 2.94Å; H282-A286 VanDerWaalsContact O-CB 3.31Å; H282-A286 WeakPolarHBondContact O-CB 3.28Å; H282-A286 PolarHBondContact O-N 3.48Å |
| 283 | A | 85.1 | Confident | 78.8 | Confident | 48 Ų | 48 | 94.1 Ų | 94.1 | 40% | 0.397 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S279 R280 A286 Q287 | S279-A283 WeakPolarHBondContact O-CB 3.08Å; S279-A283 PolarHBondContact O-N 3.25Å; R280-A283 PolarHBondContact O-N 3.41Å; A283-A286 PolarHBondContact O-N 2.83Å; A283-Q287 WeakPolarHBondContact O-CG 3.5Å; A283-Q287 PolarHBondContact O-N 3.38Å |
| 284 | L | 82.8 | Confident | 78.2 | Confident | 83 Ų | 83 | 94.7 Ų | 94.7 | 44% | 0.435 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.7 | -42.5 | 174.6 | -71.6 | 170.2 | 0 | 0 | 0 | 111.7 | R280 E281 A286 Q287 L288 | R280-L284 HydrophobicContact CG-CD1 4.19Å; R280-L284 WeakPolarHBondContact O-CB 3.3Å; R280-L284 VanDerWaalsContact O-CG 3.31Å; R280-L284 WeakPolarHBondContact O-CG 3.49Å; R280-L284 PolarHBondContact O-N 3.48Å; E281-L284 PolarHBondContact O-N 2.86Å; L284-A286 VanDerWaalsContact C-N 3.33Å; L284-A286 PolarHBondContact O-N 2.84Å; L284-Q287 PolarHBondContact O-N 2.92Å; L284-L288 WeakPolarHBondContact O-CB 3.34Å; L284-L288 VanDerWaalsContact O-CG 3.3Å; L284-L288 WeakPolarHBondContact O-CG 3.37Å; L284-L288 PolarHBondContact O-N 3.49Å |
| 285 | K | 83.6 | Confident | 77.8 | Confident | 146 Ų | 146 | 95.3 Ų | 95.3 | 64% | 0.635 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.3 | -39.6 | 175.6 | -169.3 | 174.4 | -177 | 179.5 | 0 | 111.5 | E281 H282 S289 | E281-K285 WeakPolarHBondContact O-CB 3.2Å; E281-K285 PolarHBondContact O-N 3.06Å; H282-K285 PolarHBondContact O-N 2.94Å; K285-S289 WeakPolarHBondContact O-CB 3.4Å; K285-S289 PolarHBondContact O-N 2.8Å |
| 286 | A | 78.6 | Confident | 77.2 | Confident | 52 Ų | 52 | 94 Ų | 94 | 43% | 0.43 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.4 | -43.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | H282 A283 L284 L288 S289 G290 | H282-A286 VanDerWaalsContact O-CB 3.31Å; H282-A286 WeakPolarHBondContact O-CB 3.28Å; H282-A286 PolarHBondContact O-N 3.48Å; A283-A286 PolarHBondContact O-N 2.83Å; L284-A286 VanDerWaalsContact C-N 3.33Å; L284-A286 PolarHBondContact O-N 2.84Å; A286-L288 PolarHBondContact O-N 3.42Å; A286-S289 PolarHBondContact O-N 3.17Å; A286-G290 PolarHBondContact O-N 3.01Å |
| 287 | Q | 75.2 | Confident | 76.9 | Confident | 131 Ų | 131 | 93.9 Ų | 93.9 | 61% | 0.612 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.6 | -40.1 | 176.4 | -74.7 | 179.3 | 6 | 0 | 0 | 112.6 | A283 L284 G290 R291 | A283-Q287 WeakPolarHBondContact O-CG 3.5Å; A283-Q287 PolarHBondContact O-N 3.38Å; L284-Q287 PolarHBondContact O-N 2.92Å; Q287-G290 PolarHBondContact O-N 3.39Å; Q287-R291 PolarHBondContact O-N 3.08Å |
| 288 | L | 70.5 | Confident | 76.5 | Confident | 117 Ų | 117 | 90.9 Ų | 90.9 | 61% | 0.613 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -70.5 | -40.2 | 175.5 | -67.9 | 172.5 | 0 | 0 | 0 | 111.7 | L284 A286 G290 R291 S292 | L284-L288 WeakPolarHBondContact O-CB 3.34Å; L284-L288 VanDerWaalsContact O-CG 3.3Å; L284-L288 WeakPolarHBondContact O-CG 3.37Å; L284-L288 PolarHBondContact O-N 3.49Å; A286-L288 PolarHBondContact O-N 3.42Å; L288-G290 VanDerWaalsContact C-N 3.28Å; L288-G290 PolarHBondContact O-N 2.89Å; L288-R291 PolarHBondContact O-N 3.36Å; L288-R291 VanDerWaalsContact O-N 3.1Å; L288-S292 PolarHBondContact O-N 2.89Å |
| 289 | S | 69.3 | Low | 75.8 | Confident | 52 Ų | 52 | 87.6 Ų | 87.6 | 36% | 0.364 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.4 | -39.2 | 171 | -168.4 | 0 | 0 | 0 | 0 | 111.6 | K285 A286 G966 S967 | K285-S289 WeakPolarHBondContact O-CB 3.4Å; K285-S289 PolarHBondContact O-N 2.8Å; A286-S289 PolarHBondContact O-N 3.17Å; S289-G966 CarbonylContact C-O 3.42Å; S289-G966 WeakPolarHBondContact CB-O 3.4Å; S289-G966 CarbonylContact O-C 3.12Å; S289-G966 PolarHBondContact OG-O 3.07Å; S289-S967 CarbonylContact O-C 3.42Å; S289-S967 WeakPolarHBondContact O-CA 3.46Å; S289-S967 PolarHBondContact O-N 2.92Å |
| 290 | G | 62.4 | Low | 75.2 | Confident | 24 Ų | 24 | 88.5 Ų | 88.5 | 25% | 0.247 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -68.1 | -28.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | A286 Q287 L288 | A286-G290 PolarHBondContact O-N 3.01Å; Q287-G290 PolarHBondContact O-N 3.39Å; L288-G290 VanDerWaalsContact C-N 3.28Å; L288-G290 PolarHBondContact O-N 2.89Å |
| 291 | R | 64 | Low | 74.3 | Confident | 172 Ų | 172 | 82.1 Ų | 82.1 | 65% | 0.649 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -70.5 | -38.9 | -179.4 | -89.6 | -172.1 | 169.7 | -142.2 | -0.7 | 114 | Q287 L288 A293 S294 E295 | Q287-R291 PolarHBondContact O-N 3.08Å; L288-R291 PolarHBondContact O-N 3.36Å; L288-R291 VanDerWaalsContact O-N 3.1Å; R291-A293 PolarHBondContact O-N 2.7Å; R291-A293 VanDerWaalsContact O-N 3.17Å; R291-S294 PolarHBondContact O-N 2.66Å; R291-S294 VanDerWaalsContact O-N 3.15Å; R291-S294 PolarHBondContact O-OG 3.45Å; R291-E295 VanDerWaalsContact O-CB 3.25Å; R291-E295 WeakPolarHBondContact O-CB 3.34Å; R291-E295 PolarHBondContact O-N 3.19Å |
| 292 | S | 62.6 | Low | 73.5 | Confident | 28 Ų | 28 | 83.2 Ų | 83.2 | 20% | 0.196 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -57.5 | -33.4 | 178.4 | -177.6 | 0 | 0 | 0 | 0 | 112.2 | L288 R296 L968 N969 | L288-S292 PolarHBondContact O-N 2.89Å; S292-R296 PolarHBondContact O-N 3.49Å; S292-R296 VanDerWaalsContact O-N 3.14Å; S292-L968 PolarHBondContact OG-O 2.88Å; S292-N969 PolarHBondContact OG-O 3.44Å |
| 293 | A | 65.6 | Low | 72.3 | Confident | 23 Ų | 23 | 86.2 Ų | 86.2 | 19% | 0.19 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -62.9 | -53.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R291 L297 S967 L968 | R291-A293 PolarHBondContact O-N 2.7Å; R291-A293 VanDerWaalsContact O-N 3.17Å; A293-L297 WeakPolarHBondContact O-CB 3.4Å; A293-L297 WeakPolarHBondContact O-CD1 3.41Å; A293-L297 VanDerWaalsContact O-CG 3.27Å; A293-L297 WeakPolarHBondContact O-CG 3.27Å; A293-L297 PolarHBondContact O-N 2.94Å; A293-S967 WeakPolarHBondContact CA-O 3.43Å; A293-S967 WeakPolarHBondContact CB-O 3.47Å; A293-S967 PolarHBondContact N-O 3.18Å; A293-S967 VanDerWaalsContact N-O 3.1Å; A293-L968 HydrophobicContact CB-CD1 4.47Å |
| 294 | S | 70.6 | Confident | 71.1 | Confident | 69 Ų | 69 | 91.8 Ų | 91.8 | 48% | 0.483 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -71.6 | -30.6 | 179.9 | 51.6 | 0 | 0 | 0 | 0 | 112.5 | R291 L297 A298 | R291-S294 PolarHBondContact O-N 2.66Å; R291-S294 VanDerWaalsContact O-N 3.15Å; R291-S294 PolarHBondContact O-OG 3.45Å; S294-L297 PolarHBondContact O-N 2.81Å; S294-A298 VanDerWaalsContact O-CB 3.23Å; S294-A298 WeakPolarHBondContact O-CB 3.23Å; S294-A298 PolarHBondContact O-N 2.95Å |
| 295 | E | 75.6 | Confident | 69.7 | Low | 139 Ų | 139 | 96.6 Ų | 96.6 | 65% | 0.65 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.9 | -46.9 | 178.5 | -173.5 | 166.4 | -177.9 | 0 | 0 | 112.2 | R291 L297 A298 A299 | R291-E295 VanDerWaalsContact O-CB 3.25Å; R291-E295 WeakPolarHBondContact O-CB 3.34Å; R291-E295 PolarHBondContact O-N 3.19Å; E295-L297 PolarHBondContact O-N 3.34Å; E295-A298 PolarHBondContact O-N 3.36Å; E295-A299 WeakPolarHBondContact O-CB 3.45Å; E295-A299 PolarHBondContact O-N 3.26Å |
| 296 | R | 74.3 | Confident | 68.1 | Low | 90 Ų | 90 | 92.1 Ų | 92.1 | 34% | 0.34 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.3 | -37 | 172.7 | -83.8 | 176.5 | 48 | -161.2 | -10 | 113.3 | S292 A299 M300 L968 N969 | S292-R296 PolarHBondContact O-N 3.49Å; S292-R296 VanDerWaalsContact O-N 3.14Å; R296-A299 PolarHBondContact O-N 2.89Å; R296-M300 WeakPolarHBondContact O-CG 3.49Å; R296-M300 PolarHBondContact O-N 2.92Å; R296-L968 VanDerWaalsContact NH1-CD1 3.33Å; R296-N969 PolarHBondContact NH1-ND2 3.26Å; R296-N969 PolarHBondContact NH1-OD1 3.08Å |
| 297 | L | 78.9 | Confident | 66.3 | Low | 112 Ų | 112 | 97 Ų | 97 | 59% | 0.586 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.8 | -41.1 | 176.7 | -72.9 | 169.8 | 0 | 0 | 0 | 111.2 | A293 S294 E295 M300 A301 | A293-L297 WeakPolarHBondContact O-CB 3.4Å; A293-L297 WeakPolarHBondContact O-CD1 3.41Å; A293-L297 VanDerWaalsContact O-CG 3.27Å; A293-L297 WeakPolarHBondContact O-CG 3.27Å; A293-L297 PolarHBondContact O-N 2.94Å; S294-L297 PolarHBondContact O-N 2.81Å; E295-L297 PolarHBondContact O-N 3.34Å; L297-M300 HydrophobicContact CD2-CE 3.88Å; L297-M300 PolarHBondContact O-N 3.38Å; L297-A301 WeakPolarHBondContact O-CB 3.27Å; L297-A301 PolarHBondContact O-N 2.8Å |
| 298 | A | 75.6 | Confident | 64.5 | Low | 48 Ų | 48 | 98.6 Ų | 98.6 | 40% | 0.397 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.8 | -40.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S294 E295 M300 A301 N302 | S294-A298 VanDerWaalsContact O-CB 3.23Å; S294-A298 WeakPolarHBondContact O-CB 3.23Å; S294-A298 PolarHBondContact O-N 2.95Å; E295-A298 PolarHBondContact O-N 3.36Å; A298-M300 VanDerWaalsContact C-N 3.34Å; A298-M300 PolarHBondContact O-N 3.23Å; A298-A301 PolarHBondContact O-N 2.86Å; A298-N302 WeakPolarHBondContact O-CB 3.46Å; A298-N302 VanDerWaalsContact O-CG 3.24Å; A298-N302 PolarHBondContact O-N 3.42Å; A298-N302 PolarHBondContact O-ND2 2.83Å |
| 299 | A | 71.4 | Confident | 63.2 | Low | 49 Ų | 49 | 101.8 Ų | 101.8 | 41% | 0.405 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E295 R296 Q303 | E295-A299 WeakPolarHBondContact O-CB 3.45Å; E295-A299 PolarHBondContact O-N 3.26Å; R296-A299 PolarHBondContact O-N 2.89Å; A299-Q303 WeakPolarHBondContact O-CG 3.46Å; A299-Q303 PolarHBondContact O-N 3.42Å |
| 300 | M | 74.1 | Confident | 61.9 | Low | 96 Ų | 96 | 110.8 Ų | 110.8 | 47% | 0.473 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -71.9 | -37.9 | 174.6 | -69.3 | -171.4 | -57.7 | 0 | 0 | 112.7 | R296 L297 A298 Q303 Q304 | R296-M300 WeakPolarHBondContact O-CG 3.49Å; R296-M300 PolarHBondContact O-N 2.92Å; L297-M300 HydrophobicContact CD2-CE 3.88Å; L297-M300 PolarHBondContact O-N 3.38Å; A298-M300 VanDerWaalsContact C-N 3.34Å; A298-M300 PolarHBondContact O-N 3.23Å; M300-Q303 PolarHBondContact O-N 2.85Å; M300-Q304 PolarHBondContact O-N 3.46Å |
| 301 | A | 70.4 | Confident | 61.1 | Low | 52 Ų | 52 | 114.7 Ų | 114.7 | 43% | 0.43 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62.2 | -43.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L297 A298 Q303 Q304 | L297-A301 WeakPolarHBondContact O-CB 3.27Å; L297-A301 PolarHBondContact O-N 2.8Å; A298-A301 PolarHBondContact O-N 2.86Å; A301-Q303 VanDerWaalsContact C-N 3.3Å; A301-Q303 PolarHBondContact O-N 3.19Å; A301-Q304 PolarHBondContact O-N 3.32Å; A301-Q304 VanDerWaalsContact O-N 3.1Å |
| 302 | N | 68.1 | Low | 60.6 | Low | 127 Ų | 127 | 112.3 Ų | 112.3 | 68% | 0.679 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.2 | -31.6 | 175.9 | -70.9 | -17.2 | 0 | 0 | 0 | 112.5 | A298 Q304 H305 | A298-N302 WeakPolarHBondContact O-CB 3.46Å; A298-N302 VanDerWaalsContact O-CG 3.24Å; A298-N302 PolarHBondContact O-N 3.42Å; A298-N302 PolarHBondContact O-ND2 2.83Å; N302-Q304 VanDerWaalsContact C-N 3.35Å; N302-H305 PolarHBondContact O-N 3.19Å |
| 303 | Q | 59.9 | Low | 59.1 | Low | 152 Ų | 152 | 116.5 Ų | 116.5 | 71% | 0.71 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -69 | -29.7 | 171.7 | -74.8 | -178.5 | 27 | 0 | 0 | 113.2 | A299 M300 A301 H305 G306 | A299-Q303 WeakPolarHBondContact O-CG 3.46Å; A299-Q303 PolarHBondContact O-N 3.42Å; M300-Q303 PolarHBondContact O-N 2.85Å; A301-Q303 VanDerWaalsContact C-N 3.3Å; A301-Q303 PolarHBondContact O-N 3.19Å; Q303-H305 PolarHBondContact O-N 3.47Å; Q303-G306 PolarHBondContact O-N 3.24Å |
| 304 | Q | 59.2 | Low | 57.5 | Low | 166 Ų | 166 | 121.8 Ų | 121.8 | 78% | 0.776 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -70.2 | -18.5 | 178.4 | -72.9 | -173.9 | -14.7 | 0 | 0 | 113.6 | M300 A301 N302 G306 | M300-Q304 PolarHBondContact O-N 3.46Å; A301-Q304 PolarHBondContact O-N 3.32Å; A301-Q304 VanDerWaalsContact O-N 3.1Å; N302-Q304 VanDerWaalsContact C-N 3.35Å; Q304-G306 VanDerWaalsContact C-N 3.29Å; Q304-G306 PolarHBondContact O-N 3.23Å |
| 305 | H | 53.7 | Low | 55.7 | Low | 183 Ų | 183 | 122.3 Ų | 122.3 | 85% | 0.847 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -2.3 | 175.3 | -120.3 | 72 | 0 | 0 | 0 | 114.4 | N302 Q303 | N302-H305 PolarHBondContact O-N 3.19Å; Q303-H305 PolarHBondContact O-N 3.47Å |
| 306 | G | 49.8 | Very low | 53.3 | Low | 53 Ų | 53 | 119.5 Ų | 119.5 | 55% | 0.546 | 68% | 0.679 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94 | 8.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | Q303 Q304 | Q303-G306 PolarHBondContact O-N 3.24Å; Q304-G306 VanDerWaalsContact C-N 3.29Å; Q304-G306 PolarHBondContact O-N 3.23Å |
| 307 | Q | 41.6 | Very low | 51.1 | Low | 154 Ų | 154 | 120.5 Ų | 120.5 | 72% | 0.72 | 70% | 0.699 | S | S | * | * | | | trans | -141.4 | 42.6 | -170 | -75.6 | -66.5 | -86.1 | 0 | 0 | 114.9 | | |
| 308 | D | 36.4 | Very low | 48.7 | Very low | 164 Ų | 164 | 120.2 Ų | 120.2 | 88% | 0.877 | 71% | 0.706 | S | S | * | * | | | trans | -83.5 | 151.2 | 161.1 | -149.7 | -16.3 | 0 | 0 | 0 | 111.4 | | |
| 309 | K | 44.2 | Very low | 46.3 | Very low | 185 Ų | 185 | 125.1 Ų | 125.1 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | | | trans | -111.7 | 130.1 | -159.8 | -66.6 | 179.6 | -177.3 | 172.3 | 0 | 113.5 | | |
| 310 | R | 42 | Very low | 44.4 | Very low | 241 Ų | 241 | 129.7 Ų | 129.7 | 91% | 0.909 | 75% | 0.749 | S | S | * | * | | | trans | -78.7 | 133.2 | 169.4 | -167.1 | -178.9 | -174.7 | 133.6 | 2.2 | 111.5 | | |
| 311 | P | 45.7 | Very low | 42.4 | Very low | 106 Ų | 106 | 131.5 Ų | 131.5 | 69% | 0.688 | 77% | 0.765 | S | S | * | * | | | trans | -79.8 | 164.7 | 170.5 | 32.3 | -34.2 | 0 | 0 | 0 | 112.9 | | |
| 312 | P | 53.1 | Low | 40.2 | Very low | 122 Ų | 122 | 134 Ų | 134 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | | | trans | -110.3 | 179.8 | -163.9 | 42 | -35.4 | 0 | 0 | 0 | 115.7 | | |
| 313 | S | 30.6 | Very low | 38.1 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | 73.3 | 150.7 | 179.5 | -125.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 314 | V | 33.5 | Very low | 36.7 | Very low | 135 Ų | 135 | 133.3 Ų | 133.3 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | cis | -125.1 | 158.3 | 7.6 | -170 | 0 | 0 | 0 | 0 | 109.6 | | |
| 315 | G | 31.3 | Very low | 35.3 | Very low | 79 Ų | 79 | 129.9 Ų | 129.9 | 81% | 0.814 | 78% | 0.783 | S | S | * | * | | | trans | -88.1 | 155.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 316 | G | 26.2 | Very low | 34.3 | Very low | 81 Ų | 81 | 127 Ų | 127 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | | | trans | -172.4 | 134.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 317 | S | 27.3 | Very low | 33.7 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | | | trans | -46.5 | 157.2 | -175.4 | -154.9 | 0 | 0 | 0 | 0 | 120.5 | | |
| 318 | S | 28.4 | Very low | 33.2 | Very low | 105 Ų | 105 | 131.4 Ų | 131.4 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | trans | 74 | 135.2 | 145.1 | -59.1 | 0 | 0 | 0 | 0 | 122.1 | | |
| 319 | D | 26 | Very low | 32.9 | Very low | 151 Ų | 151 | 126.8 Ų | 126.8 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | | | trans | -62.3 | 150.5 | 154.5 | -47 | -96.1 | 0 | 0 | 0 | 112.3 | | |
| 320 | T | 30.1 | Very low | 32.2 | Very low | 145 Ų | 145 | 126.5 Ų | 126.5 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | | | | -161.5 | 153.5 | 120.7 | 1.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 321 | V | 32.7 | Very low | 32 | Very low | 134 Ų | 134 | 120.9 Ų | 120.9 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | | | trans | -100.2 | 143.5 | -179.9 | -70.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 322 | S | 23.8 | Very low | 31.3 | Very low | 105 Ų | 105 | 122.7 Ų | 122.7 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | | | trans | -177.1 | 132.9 | 149.6 | -85.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 323 | S | 24.7 | Very low | 30.5 | Very low | 101 Ų | 101 | 121 Ų | 121 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | | | cis | 71.7 | 135.6 | 33.1 | 102.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 324 | L | 30.8 | Very low | 30.8 | Very low | 164 Ų | 164 | 121.1 Ų | 121.1 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | | | cis | -161.2 | -166.6 | -1.5 | -159.7 | 65.3 | 0 | 0 | 0 | 108.6 | | |
| 325 | S | 30 | Very low | 31.1 | Very low | 94 Ų | 94 | 122 Ų | 122 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | | | trans | 80 | 149.2 | 166.6 | -145.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 326 | T | 31.1 | Very low | 31.2 | Very low | 122 Ų | 122 | 124 Ų | 124 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | | | cis | -159.3 | 153.5 | 17.7 | -40 | 0 | 0 | 0 | 0 | 108.3 | | |
| 327 | Q | 37.4 | Very low | 31.3 | Very low | 149 Ų | 149 | 126 Ų | 126 | 70% | 0.696 | 77% | 0.77 | S | S | * | * | | | cis | -171 | 177.1 | -32 | -169.9 | 171.3 | -36.2 | 0 | 0 | 107.6 | | |
| 328 | N | 32 | Very low | 31.5 | Very low | 150 Ų | 150 | 126.2 Ų | 126.2 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | | | trans | 82.4 | 138.8 | 167.6 | -45.4 | -39 | 0 | 0 | 0 | 117 | | |
| 329 | G | 29.1 | Very low | 31.7 | Very low | 68 Ų | 68 | 128.7 Ų | 128.7 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | | | cis | 178.7 | 167.8 | -6.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 330 | M | 30.7 | Very low | 32.3 | Very low | 178 Ų | 178 | 127.6 Ų | 127.6 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | | | trans | 54.3 | 115.6 | 175.8 | -101.7 | 59.6 | 114.4 | 0 | 0 | 117.8 | | |
| 331 | T | 37.1 | Very low | 32.2 | Very low | 123 Ų | 123 | 131.9 Ų | 131.9 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | | | cis | 94.7 | 82.4 | 24.7 | 77.3 | 0 | 0 | 0 | 0 | 117.8 | | |
| 332 | T | 31.7 | Very low | 32 | Very low | 144 Ų | 144 | 131.8 Ų | 131.8 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | | | trans | -156.3 | 153.7 | 150.2 | 47.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 333 | A | 35.9 | Very low | 32.1 | Very low | 86 Ų | 86 | 131.4 Ų | 131.4 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | | | cis | -178.9 | 146.3 | -25 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 334 | T | 37.7 | Very low | 32.2 | Very low | 119 Ų | 119 | 131 Ų | 131 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | | | cis | -160.1 | 165.6 | -25.2 | -57.5 | 0 | 0 | 0 | 0 | 106.1 | | |
| 335 | I | 38.9 | Very low | 32.1 | Very low | 154 Ų | 154 | 129.7 Ų | 129.7 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | | | trans | 61.2 | 163.9 | 179.1 | 74.4 | 165 | 0 | 0 | 0 | 114.7 | | |
| 336 | T | 33.1 | Very low | 31.9 | Very low | 119 Ų | 119 | 132 Ų | 132 | 73% | 0.73 | 78% | 0.781 | S | S | * | * | | | cis | -152.4 | 170.5 | -5 | -7.5 | 0 | 0 | 0 | 0 | 106.4 | | |
| 337 | T | 29.6 | Very low | 32.2 | Very low | 125 Ų | 125 | 131 Ų | 131 | 77% | 0.767 | 78% | 0.777 | S | S | * | * | | | cis | -144.5 | -155.5 | 3.7 | -168.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 338 | T | 31.5 | Very low | 31.7 | Very low | 114 Ų | 114 | 132.9 Ų | 132.9 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | | | trans | -117.6 | 137.8 | -160.4 | 55.7 | 0 | 0 | 0 | 0 | 116.5 | | |
| 339 | L | 31 | Very low | 31.4 | Very low | 157 Ų | 157 | 130.9 Ų | 130.9 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | | | | 31.2 | 157.5 | 121.7 | -100.6 | 72.1 | 0 | 0 | 0 | 121.9 | | |
| 340 | P | 38.6 | Very low | 32 | Very low | 129 Ų | 129 | 132.7 Ų | 132.7 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | | | cis | -142.1 | -167.9 | 48.9 | 40.5 | -19.5 | 0 | 0 | 0 | 117.8 | | |
| 341 | R | 28 | Very low | 31.8 | Very low | 235 Ų | 235 | 129.2 Ų | 129.2 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | | | trans | -147.4 | 143 | -170.7 | 166.6 | -164.6 | -121.5 | -176.2 | 1 | 111.8 | | |
| 342 | T | 28.5 | Very low | 31.3 | Very low | 132 Ų | 132 | 131.5 Ų | 131.5 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | | | trans | -147.1 | 135.9 | 160.6 | 45.6 | 0 | 0 | 0 | 0 | 108 | | |
| 343 | A | 26.7 | Very low | 31.2 | Very low | 96 Ų | 96 | 133.1 Ų | 133.1 | 79% | 0.793 | 78% | 0.78 | S | S | * | * | | | cis | 82.4 | 132.8 | 45.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 344 | A | 27.8 | Very low | 30.7 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | | | cis | -108.9 | -111.2 | -3.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 345 | T | 27.3 | Very low | 30.6 | Very low | 135 Ų | 135 | 138.6 Ų | 138.6 | 83% | 0.828 | 78% | 0.78 | S | S | * | * | | | cis | -161.5 | 163.3 | 1.4 | -40.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 346 | N | 26.8 | Very low | 30.3 | Very low | 143 Ų | 143 | 142.5 Ų | 142.5 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | | | trans | -148.1 | 151.4 | 171.5 | -173.9 | 20.5 | 0 | 0 | 0 | 110.1 | | |
| 347 | P | 36.9 | Very low | 30.1 | Very low | 102 Ų | 102 | 140.2 Ų | 140.2 | 66% | 0.662 | 79% | 0.785 | S | S | * | * | | | | -151.9 | 146.8 | 117.5 | 37.9 | -20.7 | 0 | 0 | 0 | 118.3 | | |
| 348 | Q | 26.1 | Very low | 30.2 | Very low | 187 Ų | 187 | 142.5 Ų | 142.5 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | | | trans | 62.7 | 157.1 | 143.6 | -74.6 | 169.8 | -89.1 | 0 | 0 | 123.3 | | |
| 349 | S | 25.6 | Very low | 30.2 | Very low | 109 Ų | 109 | 143.6 Ų | 143.6 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | | | trans | -114.4 | -163.4 | -175.6 | 60.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 350 | P | 42.5 | Very low | 30.3 | Very low | 105 Ų | 105 | 142.2 Ų | 142.2 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | | | cis | -145.4 | -171 | 9.4 | 45 | -24.9 | 0 | 0 | 0 | 118 | | |
| 351 | S | 25.7 | Very low | 30.2 | Very low | 106 Ų | 106 | 147.3 Ų | 147.3 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | | | trans | 76.7 | 157 | 156 | 81.5 | 0 | 0 | 0 | 0 | 117.4 | | |
| 352 | L | 27.3 | Very low | 31.3 | Very low | 170 Ų | 170 | 141.5 Ų | 141.5 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | | | cis | -123 | 175.6 | 11.4 | -97.3 | 170.8 | 0 | 0 | 0 | 114.2 | | |
| 353 | Q | 29 | Very low | 31.4 | Very low | 178 Ų | 178 | 141.7 Ų | 141.7 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | | | trans | -105.1 | -176.4 | -178.4 | -70.4 | -170.1 | -10.9 | 0 | 0 | 113.5 | | |
| 354 | E | 26.4 | Very low | 31.8 | Very low | 151 Ų | 151 | 147.6 Ų | 147.6 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | trans | 86 | 141.5 | 168.4 | -58.5 | -144.3 | 107.5 | 0 | 0 | 117 | | |
| 355 | K | 35.5 | Very low | 33.4 | Very low | 169 Ų | 169 | 147.9 Ų | 147.9 | 74% | 0.735 | 78% | 0.777 | S | S | * | * | | | cis | -140.8 | 161.1 | 7.4 | -134.6 | 165.5 | -176.2 | 80.5 | 0 | 112 | | |
| 356 | R | 32.8 | Very low | 33.8 | Very low | 236 Ų | 236 | 147.1 Ų | 147.1 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | | | trans | -78 | 155.5 | 178 | -97.5 | 176.7 | -79.5 | -176 | -5.6 | 112.3 | | |
| 357 | G | 29 | Very low | 34.4 | Very low | 71 Ų | 71 | 148.8 Ų | 148.8 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | | | trans | -169.6 | 64.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 358 | F | 30.3 | Very low | 34.2 | Very low | 173 Ų | 173 | 150.3 Ų | 150.3 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | | | trans | 26.5 | 127.2 | 153.4 | -63.6 | -78.1 | 0 | 0 | 0 | 122.5 | | |
| 359 | D | 33.3 | Very low | 34.9 | Very low | 137 Ų | 137 | 146.9 Ų | 146.9 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | | | | 41.3 | 144.1 | 122.2 | -77.1 | -53.8 | 0 | 0 | 0 | 121.9 | | |
| 360 | T | 31.6 | Very low | 35.9 | Very low | 128 Ų | 128 | 146.5 Ų | 146.5 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | | | cis | -145.8 | 171.9 | 12.8 | 5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 361 | R | 36.8 | Very low | 36.3 | Very low | 237 Ų | 237 | 145.8 Ų | 145.8 | 89% | 0.894 | 78% | 0.776 | S | S | * | * | | | trans | -96.5 | -172.8 | 164.8 | -48.3 | 178.3 | 174.6 | 177.3 | -2.3 | 110 | | |
| 362 | P | 50.6 | Low | 37.9 | Very low | 113 Ų | 113 | 146.5 Ų | 146.5 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | | | cis | -131.9 | -166.2 | -13.9 | 41.4 | -24.3 | 0 | 0 | 0 | 112.8 | | |
| 363 | T | 31.9 | Very low | 39.4 | Very low | 135 Ų | 135 | 144 Ų | 144 | 83% | 0.828 | 76% | 0.757 | S | S | * | * | | | | 177.4 | 162.6 | 119.9 | -72.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 364 | R | 35.1 | Very low | 40.8 | Very low | 220 Ų | 220 | 141.6 Ų | 141.6 | 83% | 0.83 | 75% | 0.749 | S | S | * | * | | | trans | -97.8 | 178.9 | -173.7 | -121.8 | -155.6 | 155.7 | 151.8 | -6.1 | 112.5 | | |
| 365 | P | 60.4 | Low | 42.3 | Very low | 101 Ų | 101 | 139.4 Ų | 139.4 | 66% | 0.656 | 74% | 0.742 | S | S | * | * | | | trans | -86.2 | -176.2 | -162.8 | 39.7 | -42.1 | 0 | 0 | 0 | 114 | | |
| 366 | P | 36.1 | Very low | 43.4 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | | | | -139 | -173.7 | 110.1 | 41.4 | -31.1 | 0 | 0 | 0 | 115.2 | | |
| 367 | Q | 38.7 | Very low | 44.2 | Very low | 177 Ų | 177 | 131.8 Ų | 131.8 | 83% | 0.827 | 73% | 0.726 | S | S | * | * | | | trans | -58.6 | 159.7 | 175.2 | -56.3 | 154.9 | -34.3 | 0 | 0 | 113.4 | | |
| 368 | T | 34 | Very low | 45 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 82% | 0.822 | 72% | 0.722 | S | S | * | * | | | trans | -162.8 | 114.3 | 134.8 | 7.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 369 | C | 40.7 | Very low | 45.6 | Very low | 115 Ų | 115 | 131.1 Ų | 131.1 | 78% | 0.777 | 71% | 0.713 | S | S | * | * | | | trans | -84.6 | 174.8 | 144 | -67.2 | 0 | 0 | 0 | 0 | 108.4 | | |
| 370 | S | 47.1 | Very low | 46.4 | Very low | 102 Ų | 102 | 133.3 Ų | 133.3 | 71% | 0.713 | 72% | 0.719 | S | S | * | * | | | trans | 54.5 | 68.4 | 173.2 | 61.5 | 0 | 0 | 0 | 0 | 117 | | |
| 371 | S | 50.7 | Low | 47.3 | Very low | 90 Ų | 90 | 133.5 Ų | 133.5 | 63% | 0.629 | 72% | 0.715 | S | S | * | * | | | trans | -100.6 | -25.4 | 160.4 | 56.9 | 0 | 0 | 0 | 0 | 113.7 | L373 L374 L375 | S371-L373 VanDerWaalsContact C-N 3.35Å; S371-L373 PolarHBondContact O-N 3.34Å; S371-L374 PolarHBondContact O-N 3.46Å; S371-L375 PolarHBondContact O-N 2.77Å |
| 372 | L | 58.6 | Low | 47.3 | Very low | 120 Ų | 120 | 128.8 Ų | 128.8 | 63% | 0.628 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -61.1 | -38.8 | -175.8 | -164.2 | 76 | 0 | 0 | 0 | 113.1 | L375 L376 | L372-L375 PolarHBondContact O-N 2.67Å; L372-L376 HydrophobicContact CD2-CD1 4.36Å; L372-L376 HydrophobicContact CG-CD1 4.05Å; L372-L376 WeakPolarHBondContact O-CB 3.28Å; L372-L376 VanDerWaalsContact O-CG 3.32Å; L372-L376 WeakPolarHBondContact O-CG 3.39Å; L372-L376 PolarHBondContact O-N 3.44Å |
| 373 | L | 59.9 | Low | 46.8 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 61% | 0.613 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -66.3 | -41.1 | 178.8 | -106.9 | 164.7 | 0 | 0 | 0 | 112.4 | S371 L377 | S371-L373 VanDerWaalsContact C-N 3.35Å; S371-L373 PolarHBondContact O-N 3.34Å; L373-L377 HydrophobicContact CD2-CD1 4.34Å; L373-L377 WeakPolarHBondContact O-CB 3.2Å; L373-L377 VanDerWaalsContact O-CG 3.28Å; L373-L377 WeakPolarHBondContact O-CG 3.48Å; L373-L377 PolarHBondContact O-N 3.32Å |
| 374 | L | 57.2 | Low | 47.1 | Very low | 128 Ų | 128 | 135.7 Ų | 135.7 | 67% | 0.67 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -66.9 | -40.5 | 173.2 | -90.1 | 70.7 | 0 | 0 | 0 | 111.1 | S371 L376 L377 N378 | S371-L374 PolarHBondContact O-N 3.46Å; L374-L376 PolarHBondContact O-N 2.99Å; L374-L377 PolarHBondContact O-N 3.37Å; L374-N378 WeakPolarHBondContact O-CB 3.39Å; L374-N378 PolarHBondContact O-N 3.01Å |
| 375 | L | 59 | Low | 47 | Very low | 106 Ų | 106 | 133 Ų | 133 | 56% | 0.555 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -64.4 | -40 | 179.5 | -167.3 | 68 | 0 | 0 | 0 | 112 | S371 L372 N379 | S371-L375 PolarHBondContact O-N 2.77Å; L372-L375 PolarHBondContact O-N 2.67Å; L375-N379 PolarHBondContact O-N 2.93Å; L375-N379 PolarHBondContact O-ND2 3.38Å |
| 376 | L | 58 | Low | 45.8 | Very low | 110 Ų | 110 | 135 Ų | 135 | 58% | 0.576 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -69.3 | -46.4 | 176.1 | -73.4 | 167.3 | 0 | 0 | 0 | 112.1 | L372 L374 N378 N379 | L372-L376 HydrophobicContact CD2-CD1 4.36Å; L372-L376 HydrophobicContact CG-CD1 4.05Å; L372-L376 WeakPolarHBondContact O-CB 3.28Å; L372-L376 VanDerWaalsContact O-CG 3.32Å; L372-L376 WeakPolarHBondContact O-CG 3.39Å; L372-L376 PolarHBondContact O-N 3.44Å; L374-L376 PolarHBondContact O-N 2.99Å; L376-N378 VanDerWaalsContact C-N 3.26Å; L376-N378 PolarHBondContact O-N 3.41Å; L376-N379 PolarHBondContact O-N 2.84Å; L376-N379 VanDerWaalsContact O-N 3.08Å |
| 377 | L | 50.4 | Low | 45.9 | Very low | 134 Ų | 134 | 134.6 Ų | 134.6 | 70% | 0.702 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -65.3 | -29.3 | 178.3 | -70.6 | 170 | 0 | 0 | 0 | 112.7 | L373 L374 N379 | L373-L377 HydrophobicContact CD2-CD1 4.34Å; L373-L377 WeakPolarHBondContact O-CB 3.2Å; L373-L377 VanDerWaalsContact O-CG 3.28Å; L373-L377 WeakPolarHBondContact O-CG 3.48Å; L373-L377 PolarHBondContact O-N 3.32Å; L374-L377 PolarHBondContact O-N 3.37Å; L377-N379 VanDerWaalsContact C-N 3.31Å |
| 378 | N | 44.3 | Very low | 45.9 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 65% | 0.652 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -6.3 | 175 | -162 | 34.3 | 0 | 0 | 0 | 113.8 | L374 L376 | L374-N378 WeakPolarHBondContact O-CB 3.39Å; L374-N378 PolarHBondContact O-N 3.01Å; L376-N378 VanDerWaalsContact C-N 3.26Å; L376-N378 PolarHBondContact O-N 3.41Å |
| 379 | N | 43.8 | Very low | 45.8 | Very low | 108 Ų | 108 | 136 Ų | 136 | 58% | 0.578 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | 8.3 | -177.4 | -98.9 | -90.3 | 0 | 0 | 0 | 114.4 | L375 L376 L377 | L375-N379 PolarHBondContact O-N 2.93Å; L375-N379 PolarHBondContact O-ND2 3.38Å; L376-N379 PolarHBondContact O-N 2.84Å; L376-N379 VanDerWaalsContact O-N 3.08Å; L377-N379 VanDerWaalsContact C-N 3.31Å |
| 380 | H | 50.6 | Low | 45.3 | Very low | 183 Ų | 183 | 134.5 Ų | 134.5 | 85% | 0.847 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -121.2 | 18.3 | -178.6 | -81.8 | 14.7 | 0 | 0 | 0 | 114.2 | | |
| 381 | N | 50.3 | Low | 44.4 | Very low | 132 Ų | 132 | 137 Ų | 137 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -146.2 | 144.6 | 166.6 | -160 | -2.6 | 0 | 0 | 0 | 109 | | |
| 382 | N | 36.9 | Very low | 43.5 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | | | trans | 72.8 | 136.6 | -155.7 | -47.3 | -75.6 | 0 | 0 | 0 | 113.1 | | |
| 383 | Q | 39.2 | Very low | 42.3 | Very low | 184 Ų | 184 | 140 Ų | 140 | 86% | 0.86 | 72% | 0.723 | S | S | * | * | | | cis | -131.9 | 133.5 | 4.3 | -67.2 | 176.7 | -38.1 | 0 | 0 | 112.9 | | |
| 384 | K | 38 | Very low | 40.9 | Very low | 208 Ų | 208 | 142.2 Ų | 142.2 | 90% | 0.904 | 74% | 0.735 | S | S | * | * | | | trans | -145.7 | 106.3 | 141.9 | -87.2 | -165.9 | 177.6 | -175.6 | 0 | 107.3 | | |
| 385 | Q | 32.6 | Very low | 39.8 | Very low | 165 Ų | 165 | 142.1 Ų | 142.1 | 77% | 0.771 | 73% | 0.734 | S | S | * | * | | | trans | 176 | 152.3 | 160.7 | -99 | -59 | -1.6 | 0 | 0 | 109 | | |
| 386 | L | 34.8 | Very low | 38.4 | Very low | 143 Ų | 143 | 143.3 Ų | 143.3 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | | | trans | 58.8 | 116.9 | -176.6 | -75.6 | 70.2 | 0 | 0 | 0 | 114.7 | | |
| 387 | T | 40.1 | Very low | 37 | Very low | 109 Ų | 109 | 141.2 Ų | 141.2 | 67% | 0.669 | 76% | 0.757 | S | S | * | * | | | cis | 79.4 | 110.4 | 30.5 | 83.4 | 0 | 0 | 0 | 0 | 116.3 | | |
| 388 | K | 37.4 | Very low | 36.1 | Very low | 179 Ų | 179 | 143.6 Ų | 143.6 | 78% | 0.778 | 77% | 0.769 | S | S | * | * | | | | 176.7 | 124.8 | 106.3 | -93 | 171.6 | -178.5 | 179.6 | 0 | 114.2 | | |
| 389 | N | 32 | Very low | 35.4 | Very low | 162 Ų | 162 | 145.7 Ų | 145.7 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | | | trans | 57.8 | 125.3 | 135.7 | -52.8 | 14.2 | 0 | 0 | 0 | 121.7 | | |
| 390 | G | 30.9 | Very low | 35.3 | Very low | 84 Ų | 84 | 146 Ų | 146 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | | | trans | 161 | 117.5 | 159.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 391 | H | 28 | Very low | 34.9 | Very low | 154 Ų | 154 | 142.5 Ų | 142.5 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | | | trans | -130.6 | 145.5 | 174.3 | 104.7 | 101.9 | 0 | 0 | 0 | 110.8 | E393 | H391-E393 IonicContact CE1-OE1 3.07Å; H391-E393 PolarHBondContact CE1-OE1 2.89Å; H391-E393 IonicContact ND1-OE1 2.83Å; H391-E393 PolarHBondContact ND1-OE1 3.36Å |
| 392 | L | 31.2 | Very low | 33.7 | Very low | 155 Ų | 155 | 142.1 Ų | 142.1 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | | | trans | -155.5 | 153.9 | 139.6 | -153.5 | 67.3 | 0 | 0 | 0 | 110 | | |
| 393 | E | 34.3 | Very low | 33.2 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 55% | 0.547 | 79% | 0.793 | S | S | . | * | | | trans | -62.8 | 163 | -176.5 | -39.1 | -58 | 93.9 | 0 | 0 | 114.4 | H391 | H391-E393 IonicContact CE1-OE1 3.07Å; H391-E393 PolarHBondContact CE1-OE1 2.89Å; H391-E393 IonicContact ND1-OE1 2.83Å; H391-E393 PolarHBondContact ND1-OE1 3.36Å |
| 394 | D | 30.3 | Very low | 32.6 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | | | | -153.3 | 163.7 | 103.6 | -141.4 | -24.6 | 0 | 0 | 0 | 112.1 | | |
| 395 | I | 33.5 | Very low | 32 | Very low | 127 Ų | 127 | 131.3 Ų | 131.3 | 65% | 0.651 | 78% | 0.783 | S | S | * | * | | | trans | -129.7 | 125.4 | -159.8 | -58.4 | 168.2 | 0 | 0 | 0 | 112.7 | | |
| 396 | S | 30.5 | Very low | 31.7 | Very low | 130 Ų | 130 | 128.3 Ų | 128.3 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | | | trans | -177.3 | 136.4 | 151.6 | -82.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 397 | G | 28 | Very low | 31.5 | Very low | 67 Ų | 67 | 127.6 Ų | 127.6 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | | | cis | 173.6 | 166.3 | -6.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 398 | L | 31.2 | Very low | 30.9 | Very low | 183 Ų | 183 | 128.4 Ų | 128.4 | 96% | 0.958 | 79% | 0.787 | S | S | * | * | | | trans | 74.8 | 111.2 | 174.1 | -50.8 | 178.4 | 0 | 0 | 0 | 118.5 | | |
| 399 | L | 29.7 | Very low | 30.6 | Very low | 167 Ų | 167 | 124 Ų | 124 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | | | trans | -101.6 | -177.4 | 158.6 | -76.5 | 168.8 | 0 | 0 | 0 | 108.4 | | |
| 400 | P | 41.4 | Very low | 30.5 | Very low | 114 Ų | 114 | 123.6 Ų | 123.6 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | | | cis | -123.2 | -144.2 | -37.9 | 34.6 | -12.6 | 0 | 0 | 0 | 108 | | |
| 401 | P | 42.6 | Very low | 30.5 | Very low | 110 Ų | 110 | 123.8 Ų | 123.8 | 71% | 0.714 | 76% | 0.764 | S | S | * | * | | | cis | -135.4 | 177.3 | -12.2 | 42.3 | -23.8 | 0 | 0 | 0 | 117.5 | | |
| 402 | S | 26.2 | Very low | 30.6 | Very low | 124 Ų | 124 | 124.4 Ų | 124.4 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | | | trans | 3 | 140.3 | 150.2 | -46.6 | 0 | 0 | 0 | 0 | 121.9 | | |
| 403 | G | 26.3 | Very low | 30.4 | Very low | 82 Ų | 82 | 122.5 Ų | 122.5 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | | | trans | -165.5 | 126.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 404 | S | 25.1 | Very low | 30.2 | Very low | 114 Ų | 114 | 122.4 Ų | 122.4 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | -106.3 | 144.5 | -174.6 | -56.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 405 | S | 25.8 | Very low | 30.2 | Very low | 107 Ų | 107 | 120.1 Ų | 120.1 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | trans | 65.4 | 164.8 | 141.3 | 70.2 | 0 | 0 | 0 | 0 | 121.7 | | |
| 406 | S | 26 | Very low | 30.1 | Very low | 103 Ų | 103 | 121.9 Ų | 121.9 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | | | trans | 75.6 | 128.7 | 163.9 | -52 | 0 | 0 | 0 | 0 | 116.1 | | |
| 407 | V | 30.5 | Very low | 30 | Very low | 128 Ų | 128 | 120.5 Ų | 120.5 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | | | cis | 89.2 | 143.2 | 31.5 | -179.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 408 | T | 29.1 | Very low | 30.2 | Very low | 126 Ų | 126 | 127.1 Ų | 127.1 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | | | trans | 80.6 | 153 | -174.2 | 69.6 | 0 | 0 | 0 | 0 | 116.3 | | |
| 409 | S | 29.4 | Very low | 30.2 | Very low | 87 Ų | 87 | 121.9 Ų | 121.9 | 61% | 0.608 | 74% | 0.741 | S | S | * | * | | | cis | -172.6 | -177 | -29.5 | -85.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 410 | D | 29.7 | Very low | 30.3 | Very low | 152 Ų | 152 | 120.4 Ų | 120.4 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | | | trans | 71.2 | 153.7 | 148.9 | -51.8 | -37.6 | 0 | 0 | 0 | 119.6 | | |
| 411 | S | 31.8 | Very low | 30.1 | Very low | 88 Ų | 88 | 120.4 Ų | 120.4 | 62% | 0.615 | 73% | 0.731 | S | S | * | * | | | cis | -158.4 | 163.1 | -28.6 | 67.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 412 | E | 30.8 | Very low | 29.8 | Very low | 167 Ų | 167 | 122.6 Ų | 122.6 | 78% | 0.78 | 73% | 0.73 | S | S | * | * | | | trans | 59.8 | 114.1 | 143.2 | -71.3 | 165.9 | 126.7 | 0 | 0 | 125.2 | | |
| 413 | C | 26.9 | Very low | 30 | Very low | 116 Ų | 116 | 122.9 Ų | 122.9 | 78% | 0.784 | 72% | 0.722 | S | S | * | * | | | | 67.9 | 112 | 119 | -61.5 | 0 | 0 | 0 | 0 | 123.7 | | |
| 414 | S | 28.7 | Very low | 30.2 | Very low | 115 Ų | 115 | 123.4 Ų | 123.4 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | | | trans | -156.3 | 113.6 | 135.5 | -172 | 0 | 0 | 0 | 0 | 107.5 | | |
| 415 | V | 30.8 | Very low | 30.6 | Very low | 116 Ų | 116 | 122.2 Ų | 122.2 | 70% | 0.703 | 70% | 0.704 | S | S | * | * | | | | 91.6 | 110.4 | 51.4 | 172.6 | 0 | 0 | 0 | 0 | 113 | | |
| 416 | H | 31.6 | Very low | 31 | Very low | 164 Ų | 164 | 123.6 Ų | 123.6 | 76% | 0.759 | 70% | 0.703 | S | S | * | * | | | trans | 66.5 | 153.9 | 163.4 | -90.5 | 24.3 | 0 | 0 | 0 | 117.7 | | |
| 417 | D | 28.2 | Very low | 31.5 | Very low | 100 Ų | 100 | 122.7 Ų | 122.7 | 54% | 0.535 | 70% | 0.702 | S | S | . | * | | | cis | -146.1 | 171 | -3 | -147.1 | -5 | 0 | 0 | 0 | 113.3 | | |
| 418 | R | 31.9 | Very low | 31.6 | Very low | 206 Ų | 206 | 124.9 Ų | 124.9 | 78% | 0.777 | 70% | 0.704 | S | S | * | * | | | trans | 29 | 149.7 | 146 | -79.4 | 164.7 | -168.6 | -148.4 | -5.9 | 122.8 | | |
| 419 | S | 31.3 | Very low | 31.9 | Very low | 74 Ų | 74 | 124.2 Ų | 124.2 | 52% | 0.517 | 70% | 0.704 | S | S | . | * | | | cis | 171.6 | 150.2 | -23.1 | 51.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 420 | N | 31.9 | Very low | 32.2 | Very low | 135 Ų | 135 | 124.9 Ų | 124.9 | 72% | 0.722 | 71% | 0.708 | S | S | * | * | | | trans | 61.8 | 174.8 | 154.3 | 87.6 | 57.6 | 0 | 0 | 0 | 115.1 | | |
| 421 | T | 36.7 | Very low | 32.3 | Very low | 114 Ų | 114 | 127.7 Ų | 127.7 | 70% | 0.699 | 71% | 0.709 | S | S | * | * | | | cis | -140.1 | 162.5 | -7.8 | 19.1 | 0 | 0 | 0 | 0 | 106.7 | | |
| 422 | K | 37.2 | Very low | 32.3 | Very low | 157 Ų | 157 | 128.8 Ų | 128.8 | 68% | 0.683 | 72% | 0.717 | S | S | * | * | | | cis | 175.8 | 146.6 | -19.1 | 163.1 | 174.4 | 171.7 | 176.7 | 0 | 108.2 | | |
| 423 | D | 29.7 | Very low | 32.2 | Very low | 130 Ų | 130 | 125.8 Ų | 125.8 | 70% | 0.695 | 71% | 0.714 | S | S | * | * | | | trans | 57.5 | 154.4 | 162.7 | -65.4 | 1.8 | 0 | 0 | 0 | 118.2 | | |
| 424 | S | 32.2 | Very low | 32.2 | Very low | 92 Ų | 92 | 125.8 Ų | 125.8 | 64% | 0.643 | 72% | 0.715 | S | S | * | * | | | cis | -153.9 | 165.7 | -20.2 | 53.1 | 0 | 0 | 0 | 0 | 107.4 | | |
| 425 | S | 32.7 | Very low | 32.6 | Very low | 89 Ų | 89 | 125.4 Ų | 125.4 | 62% | 0.622 | 71% | 0.712 | S | S | * | * | | | | 51.8 | 139.2 | 55.4 | 7.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 426 | D | 34.2 | Very low | 32.7 | Very low | 137 Ų | 137 | 125.5 Ų | 125.5 | 73% | 0.733 | 72% | 0.715 | S | S | * | * | | | cis | -143.3 | 159 | -5 | -92.2 | -46.9 | 0 | 0 | 0 | 107.2 | | |
| 427 | A | 37 | Very low | 32.5 | Very low | 84 Ų | 84 | 124.4 Ų | 124.4 | 69% | 0.694 | 71% | 0.713 | S | S | * | * | | | cis | 79.5 | -176.1 | 46 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 428 | E | 31.3 | Very low | 32.9 | Very low | 174 Ų | 174 | 126.1 Ų | 126.1 | 81% | 0.813 | 72% | 0.722 | S | S | * | * | | | trans | 69.4 | 111.8 | -175.9 | -48.2 | -155.6 | 101.3 | 0 | 0 | 115.6 | | |
| 429 | S | 36.9 | Very low | 32.8 | Very low | 111 Ų | 111 | 123.4 Ų | 123.4 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | | | cis | 81.4 | 91.4 | 20.8 | -46.6 | 0 | 0 | 0 | 0 | 116.9 | | |
| 430 | S | 34.5 | Very low | 32.9 | Very low | 101 Ų | 101 | 124.9 Ų | 124.9 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | | | trans | -177.8 | 158.9 | 149.9 | -81 | 0 | 0 | 0 | 0 | 107.8 | | |
| 431 | Y | 32.4 | Very low | 33.2 | Very low | 211 Ų | 211 | 127.3 Ų | 127.3 | 83% | 0.827 | 74% | 0.742 | S | S | * | * | | | cis | -130.7 | 148.4 | 14.9 | -71 | -95 | 0 | 0 | 0 | 108.6 | | |
| 432 | S | 31.9 | Very low | 33.1 | Very low | 111 Ų | 111 | 133.4 Ų | 133.4 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | | | | 58.7 | 136.8 | 65.3 | -160.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 433 | S | 28.1 | Very low | 33.3 | Very low | 104 Ų | 104 | 128.8 Ų | 128.8 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | | | cis | -127.3 | -163.5 | 12.4 | 60.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 434 | C | 26.5 | Very low | 33.9 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | | | cis | -156.4 | -172.1 | 8.4 | -149.5 | 0 | 0 | 0 | 0 | 112 | | |
| 435 | S | 36.9 | Very low | 34.1 | Very low | 106 Ų | 106 | 134.6 Ų | 134.6 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | | | trans | -120.9 | -166.8 | 172.8 | -40.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 436 | P | 33.1 | Very low | 34.1 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | | | cis | -111.5 | -163.3 | 28.9 | 46.5 | -36.6 | 0 | 0 | 0 | 111.7 | | |
| 437 | I | 28.7 | Very low | 34.4 | Very low | 141 Ų | 141 | 135.6 Ų | 135.6 | 72% | 0.723 | 77% | 0.77 | S | S | * | * | | | cis | -150.2 | 159.3 | 4.9 | -159.9 | 163 | 0 | 0 | 0 | 111.2 | L439 | I437-L439 HydrophobicContact CD1-CD1 4.23Å; I437-L439 HydrophobicContact CD1-CG 4.29Å; I437-L439 HydrophobicContact CG1-CG 4.38Å |
| 438 | D | 36.7 | Very low | 34.2 | Very low | 136 Ų | 136 | 139.2 Ų | 139.2 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | trans | -138.8 | 147.3 | 148.2 | 176 | 36.1 | 0 | 0 | 0 | 108.4 | | |
| 439 | L | 29.4 | Very low | 34.1 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | | | trans | -148 | 87.3 | 171.2 | -80.7 | -175.6 | 0 | 0 | 0 | 111.5 | I437 | I437-L439 HydrophobicContact CD1-CD1 4.23Å; I437-L439 HydrophobicContact CD1-CG 4.29Å; I437-L439 HydrophobicContact CG1-CG 4.38Å |
| 440 | S | 33.8 | Very low | 33.8 | Very low | 104 Ų | 104 | 138.5 Ų | 138.5 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | trans | -57.8 | 157 | 151.2 | -174 | 0 | 0 | 0 | 0 | 111.3 | R442 | S440-R442 PolarHBondContact O-N 3.4Š|
| 441 | M | 37.9 | Very low | 33.5 | Very low | 187 Ų | 187 | 137.2 Ų | 137.2 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | | | trans | -73.2 | 126.8 | -165.5 | -58.4 | -158 | 79.6 | 0 | 0 | 114.2 | | |
| 442 | R | 34 | Very low | 33.8 | Very low | 241 Ų | 241 | 132.7 Ų | 132.7 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | | | trans | -146.3 | 138.6 | 159 | -163.8 | 177.8 | -172.5 | -160.6 | 1.8 | 111.4 | S440 | S440-R442 PolarHBondContact O-N 3.4Š|
| 443 | G | 41.9 | Very low | 33.8 | Very low | 60 Ų | 60 | 137 Ų | 137 | 62% | 0.619 | 77% | 0.774 | S | S | * | * | | | trans | -102.8 | 144 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 444 | R | 42.7 | Very low | 34.1 | Very low | 234 Ų | 234 | 138.5 Ų | 138.5 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 69.4 | 109.3 | 164.6 | -52.5 | -178.1 | 74.3 | -168.5 | 2.8 | 118.4 | | |
| 445 | S | 36.6 | Very low | 34.8 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | | | trans | 57.2 | 127.9 | 136.8 | 60 | 0 | 0 | 0 | 0 | 123.2 | | |
| 446 | S | 31.5 | Very low | 35 | Very low | 107 Ų | 107 | 138.1 Ų | 138.1 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | | | trans | 95.6 | 119.6 | 140.6 | -148.1 | 0 | 0 | 0 | 0 | 121.2 | | |
| 447 | L | 40 | Very low | 35.6 | Very low | 139 Ų | 139 | 138 Ų | 138 | 73% | 0.728 | 76% | 0.76 | S | S | * | * | | | trans | 42.5 | 129.9 | 151.3 | -84.8 | 73.6 | 0 | 0 | 0 | 124.5 | | |
| 448 | Q | 33.4 | Very low | 36.3 | Very low | 160 Ų | 160 | 139 Ų | 139 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | | | trans | 73 | 124.9 | 134.2 | -75 | 178.7 | -38.5 | 0 | 0 | 125.1 | | |
| 449 | D | 28.5 | Very low | 36.8 | Very low | 136 Ų | 136 | 138.6 Ų | 138.6 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | | | trans | 99.9 | 129.4 | 130.7 | -87.5 | -14.7 | 0 | 0 | 0 | 126.7 | | |
| 450 | T | 31.1 | Very low | 37.4 | Very low | 135 Ų | 135 | 136.6 Ų | 136.6 | 83% | 0.828 | 75% | 0.75 | S | S | * | * | | | trans | 19.3 | 135.9 | 154.7 | 59.1 | 0 | 0 | 0 | 0 | 123.6 | | |
| 451 | G | 29.3 | Very low | 38 | Very low | 74 Ų | 74 | 138 Ų | 138 | 76% | 0.763 | 75% | 0.745 | S | S | * | * | | | trans | 153 | 134.1 | 153.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 452 | P | 37.5 | Very low | 38.3 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 75% | 0.753 | 73% | 0.731 | S | S | * | * | | | trans | -111 | 147 | -168 | 39.2 | -33.7 | 0 | 0 | 0 | 118.7 | | |
| 453 | K | 32.1 | Very low | 39.1 | Very low | 200 Ų | 200 | 128.6 Ų | 128.6 | 87% | 0.87 | 72% | 0.723 | S | S | * | * | | | trans | 47.1 | 117.6 | 140 | -59.6 | 175.1 | -178.1 | 175.7 | 0 | 121.3 | | |
| 454 | T | 34.1 | Very low | 39.5 | Very low | 137 Ų | 137 | 132.9 Ų | 132.9 | 84% | 0.84 | 73% | 0.731 | S | S | * | * | | | trans | -150.3 | 143.1 | 140.7 | 33.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 455 | S | 41.3 | Very low | 39.5 | Very low | 75 Ų | 75 | 127.9 Ų | 127.9 | 52% | 0.524 | 72% | 0.722 | S | S | . | * | | | trans | 37.8 | 112.6 | 159.9 | 61.5 | 0 | 0 | 0 | 0 | 120.7 | D457 | S455-D457 VanDerWaalsContact C-N 3.28Å; S455-D457 WeakPolarHBondContact CA-OD2 3.34Å; S455-D457 VanDerWaalsContact CB-OD2 3.23Å; S455-D457 WeakPolarHBondContact CB-OD2 3.33Å |
| 456 | L | 42.4 | Very low | 40.1 | Very low | 139 Ų | 139 | 130.9 Ų | 130.9 | 73% | 0.728 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -78.5 | -12.6 | 167.1 | 177.5 | 58.2 | 0 | 0 | 0 | 112.8 | K458 L459 | L456-K458 PolarHBondContact O-N 2.73Å; L456-L459 HydrophobicContact CD1-CD1 4.41Å; L456-L459 PolarHBondContact O-N 3.13Å |
| 457 | D | 44.6 | Very low | 40.7 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 63% | 0.631 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -18.7 | -158.7 | -49.2 | -85.8 | 0 | 0 | 0 | 114.7 | S455 L459 | S455-D457 VanDerWaalsContact C-N 3.28Å; S455-D457 WeakPolarHBondContact CA-OD2 3.34Å; S455-D457 VanDerWaalsContact CB-OD2 3.23Å; S455-D457 WeakPolarHBondContact CB-OD2 3.33Å; D457-L459 PolarHBondContact O-N 2.88Å |
| 458 | K | 44.6 | Very low | 40.8 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 70% | 0.696 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -9.3 | -175.1 | -69.8 | -176.4 | 175.5 | 177.1 | 0 | 115.6 | L456 | L456-K458 PolarHBondContact O-N 2.73Š|
| 459 | L | 46.9 | Very low | 40.8 | Very low | 129 Ų | 129 | 135.7 Ų | 135.7 | 68% | 0.675 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -32.8 | 178.9 | -66.5 | 179.2 | 0 | 0 | 0 | 112.9 | L456 D457 | L456-L459 HydrophobicContact CD1-CD1 4.41Å; L456-L459 PolarHBondContact O-N 3.13Å; D457-L459 PolarHBondContact O-N 2.88Å |
| 460 | T | 42 | Very low | 41.2 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 66% | 0.656 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -72.2 | -34.5 | -179.6 | -25.2 | 0 | 0 | 0 | 0 | 112.2 | S462 L463 | T460-S462 VanDerWaalsContact C-N 3.3Å; T460-S462 PolarHBondContact O-N 3.32Å; T460-L463 PolarHBondContact O-N 3.31Å |
| 461 | E | 45.8 | Very low | 41.3 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 62% | 0.617 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -64.9 | -31.2 | -178.4 | -165.5 | 171.3 | -142.5 | 0 | 0 | 112.8 | L463 | E461-L463 VanDerWaalsContact C-N 3.34Å; E461-L463 PolarHBondContact O-N 3.46Å |
| 462 | S | 44.6 | Very low | 41.4 | Very low | 91 Ų | 91 | 137.6 Ų | 137.6 | 64% | 0.636 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -65 | -32.4 | -180 | -172.9 | 0 | 0 | 0 | 0 | 113.8 | T460 | T460-S462 VanDerWaalsContact C-N 3.3Å; T460-S462 PolarHBondContact O-N 3.32Å |
| 463 | L | 49.9 | Very low | 40.9 | Very low | 141 Ų | 141 | 143 Ų | 143 | 74% | 0.738 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -80.4 | -25.6 | -175.4 | -85.2 | 159.4 | 0 | 0 | 0 | 113.8 | T460 E461 | T460-L463 PolarHBondContact O-N 3.31Å; E461-L463 VanDerWaalsContact C-N 3.34Å; E461-L463 PolarHBondContact O-N 3.46Å |
| 464 | L | 50.7 | Low | 40.8 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 78% | 0.78 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -85.8 | -24.6 | -171.7 | -155.7 | 67.8 | 0 | 0 | 0 | 113.6 | K466 | L464-K466 VanDerWaalsContact C-N 3.28Å; L464-K466 PolarHBondContact O-N 2.91Å |
| 465 | N | 42.6 | Very low | 40.6 | Very low | 129 Ų | 129 | 138.1 Ų | 138.1 | 69% | 0.69 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -76.7 | -0.7 | -174.2 | -82 | -24 | 0 | 0 | 0 | 115.6 | W467 | N465-W467 VanDerWaalsContact C-N 3.34Å; N465-W467 PolarHBondContact O-N 3.38Å |
| 466 | K | 48.8 | Very low | 40.1 | Very low | 174 Ų | 174 | 141 Ų | 141 | 76% | 0.757 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -78.3 | -6.1 | -177.7 | -71.1 | -172.1 | 68.6 | -173.1 | 0 | 115.9 | L464 | L464-K466 VanDerWaalsContact C-N 3.28Å; L464-K466 PolarHBondContact O-N 2.91Å |
| 467 | W | 44.7 | Very low | 39.4 | Very low | 196 Ų | 196 | 139.3 Ų | 139.3 | 74% | 0.742 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -124 | 20.8 | -168 | -75.9 | 104.3 | 0 | 0 | 0 | 116 | N465 | N465-W467 VanDerWaalsContact C-N 3.34Å; N465-W467 PolarHBondContact O-N 3.38Å |
| 468 | K | 42.7 | Very low | 38.7 | Very low | 187 Ų | 187 | 142.8 Ų | 142.8 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | | | trans | -120.5 | 132.5 | 163.7 | -81.1 | -172.2 | 175.3 | -180 | 0 | 111 | E470 | K468-E470 PolarHBondContact O-N 3.45Š|
| 469 | P | 32.6 | Very low | 38 | Very low | 124 Ų | 124 | 142.4 Ų | 142.4 | 81% | 0.805 | 75% | 0.75 | S | S | * | * | | | trans | -74.6 | 116.2 | 163.6 | 30.3 | -30.4 | 0 | 0 | 0 | 109.2 | | |
| 470 | E | 36.2 | Very low | 37.5 | Very low | 162 Ų | 162 | 145.3 Ų | 145.3 | 76% | 0.757 | 76% | 0.757 | S | S | * | * | | | trans | -68.3 | 139.3 | 172.7 | -74.1 | -163.3 | 160.6 | 0 | 0 | 112.3 | K468 | K468-E470 PolarHBondContact O-N 3.45Š|
| 471 | P | 35 | Very low | 37 | Very low | 129 Ų | 129 | 148.2 Ų | 148.2 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | | | trans | -78.8 | 108.9 | 135.2 | 32.1 | -24.3 | 0 | 0 | 0 | 108.3 | | |
| 472 | S | 31 | Very low | 36.4 | Very low | 94 Ų | 94 | 147.9 Ų | 147.9 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | | | trans | -77.5 | 137.5 | -169 | 48.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 473 | R | 27.2 | Very low | 35.7 | Very low | 231 Ų | 231 | 150.8 Ų | 150.8 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | | | trans | -175.1 | 117.2 | 162.9 | -103.9 | 161.5 | -160.9 | -137 | 3.1 | 106.1 | | |
| 474 | S | 29.1 | Very low | 34.8 | Very low | 103 Ų | 103 | 152.8 Ų | 152.8 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | | | cis | 49.1 | 125.7 | 50 | 89.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 475 | T | 29.8 | Very low | 34 | Very low | 130 Ų | 130 | 151.2 Ų | 151.2 | 80% | 0.798 | 78% | 0.776 | S | S | * | * | | | cis | -134.6 | 172.2 | 25.9 | 52.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 476 | V | 30.1 | Very low | 33.6 | Very low | 136 Ų | 136 | 151.2 Ų | 151.2 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | | | trans | -40.2 | 142.2 | 157.7 | 168.7 | 0 | 0 | 0 | 0 | 112 | | |
| 477 | S | 27.7 | Very low | 32.7 | Very low | 103 Ų | 103 | 149.3 Ų | 149.3 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | | | trans | -76.4 | 145.1 | 174.5 | 52.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 478 | K | 30.9 | Very low | 32.7 | Very low | 191 Ų | 191 | 147.3 Ų | 147.3 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | | | trans | -134.2 | 142.9 | 141.8 | -122.8 | -175.2 | -179.2 | -175.3 | 0 | 108.2 | | |
| 479 | N | 28.8 | Very low | 32.2 | Very low | 153 Ų | 153 | 147.7 Ų | 147.7 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 81 | 160.3 | 177 | -46.5 | -13.7 | 0 | 0 | 0 | 115 | | |
| 480 | K | 37 | Very low | 32.3 | Very low | 189 Ų | 189 | 147.2 Ų | 147.2 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | | | trans | -100.7 | 151.1 | -155.6 | -72.4 | -173.9 | 173.5 | -171.6 | 0 | 114.7 | | |
| 481 | E | 31.9 | Very low | 32.5 | Very low | 169 Ų | 169 | 148 Ų | 148 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | | | | 26.8 | 132.9 | 119.2 | -148.5 | 166 | -171.4 | 0 | 0 | 117.5 | | |
| 482 | P | 34.2 | Very low | 33 | Very low | 125 Ų | 125 | 146.7 Ų | 146.7 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | | | cis | -132.2 | 167.8 | 45 | 40.8 | -26 | 0 | 0 | 0 | 118.8 | | |
| 483 | E | 28.4 | Very low | 34.1 | Very low | 151 Ų | 151 | 152.3 Ų | 152.3 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | | | trans | -91.5 | 134 | 178.4 | 178 | 177 | -149.1 | 0 | 0 | 111.3 | N485 | E483-N485 PolarHBondContact OE1-ND2 3.33Š|
| 484 | M | 30.9 | Very low | 36 | Very low | 183 Ų | 183 | 144 Ų | 144 | 90% | 0.901 | 77% | 0.767 | S | S | * | * | | | trans | -128.4 | 89.7 | 164.6 | -77.9 | -172.7 | 71.7 | 0 | 0 | 109.7 | P486 | M484-P486 WeakPolarHBondContact O-CD 3.47Š|
| 485 | N | 34.7 | Very low | 38.2 | Very low | 117 Ų | 117 | 143.1 Ų | 143.1 | 63% | 0.626 | 76% | 0.758 | S | S | * | * | | | trans | -72.5 | 130 | 168.7 | -74.6 | -54.9 | 0 | 0 | 0 | 111 | E483 | E483-N485 PolarHBondContact OE1-ND2 3.33Š|
| 486 | P | 34.9 | Very low | 40.3 | Very low | 128 Ų | 128 | 143.3 Ų | 143.3 | 83% | 0.831 | 75% | 0.753 | S | S | * | * | | | trans | -81.2 | 103 | 139.4 | 30.8 | -27.4 | 0 | 0 | 0 | 108.7 | M484 | M484-P486 WeakPolarHBondContact O-CD 3.47Š|
| 487 | D | 28.7 | Very low | 42.6 | Very low | 134 Ų | 134 | 143 Ų | 143 | 72% | 0.717 | 74% | 0.744 | S | S | * | * | | | trans | -15.2 | 150.6 | 176.2 | -166.7 | 27.9 | 0 | 0 | 0 | 120.8 | K489 | D487-K489 PolarHBondContact O-N 3.17Š|
| 488 | L | 44.8 | Very low | 44.7 | Very low | 155 Ų | 155 | 143 Ų | 143 | 81% | 0.812 | 73% | 0.733 | S | S | * | * | | | trans | -38 | 126.3 | 173 | -61.6 | 162.8 | 0 | 0 | 0 | 114 | | |
| 489 | K | 32.6 | Very low | 46.9 | Very low | 195 Ų | 195 | 138.3 Ų | 138.3 | 85% | 0.848 | 72% | 0.717 | S | S | * | * | | | trans | -135.4 | 113.6 | 146 | -119.3 | 158.8 | -167.8 | 158.7 | 0 | 112.2 | D487 H491 | D487-K489 PolarHBondContact O-N 3.17Å; K489-H491 PolarHBondContact O-N 3.39Å |
| 490 | S | 35.4 | Very low | 49.3 | Very low | 113 Ų | 113 | 136 Ų | 136 | 79% | 0.79 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 123.5 | 173.8 | 38 | 0 | 0 | 0 | 0 | 110.8 | | |
| 491 | H | 38.6 | Very low | 51.1 | Low | 180 Ų | 180 | 132.5 Ų | 132.5 | 83% | 0.833 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 128.1 | 169 | -65.9 | -56.5 | 0 | 0 | 0 | 108.9 | K489 K493 | K489-H491 PolarHBondContact O-N 3.39Å; H491-K493 PolarHBondContact O-N 2.97Å |
| 492 | P | 47.1 | Very low | 52.5 | Low | 101 Ų | 101 | 129 Ų | 129 | 66% | 0.656 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -63 | 138.7 | 178.9 | 25.6 | -33.4 | 0 | 0 | 0 | 109.7 | V494 | P492-V494 HydrophobicContact CG-CG1 4.3Å; P492-V494 PolarHBondContact O-N 3.42Å |
| 493 | K | 54.1 | Low | 53.8 | Low | 212 Ų | 212 | 132.5 Ų | 132.5 | 92% | 0.922 | 67% | 0.674 | S | S | * | * | | | trans | -70.5 | 72.7 | 170 | -73.4 | -176.6 | 176.7 | 177.2 | 0 | 109.9 | H491 T495 | H491-K493 PolarHBondContact O-N 2.97Å; K493-T495 PolarHBondContact O-N 3.08Å |
| 494 | V | 66.6 | Low | 55.3 | Low | 56 Ų | 56 | 134.9 Ų | 134.9 | 34% | 0.339 | 68% | 0.676 | S | S | . | * | | | trans | -62.3 | 127 | 171.6 | -72.7 | 0 | 0 | 0 | 0 | 109.2 | P492 Q498 L499 | P492-V494 HydrophobicContact CG-CG1 4.3Å; P492-V494 PolarHBondContact O-N 3.42Å; V494-Q498 HydrophobicContact CB-CB 4.41Å; V494-Q498 HydrophobicContact CG1-CG 4.36Å; V494-L499 HydrophobicContact CB-CG 4.49Å; V494-L499 HydrophobicContact CG2-CD1 4.08Å; V494-L499 HydrophobicContact CG2-CD2 4.36Å; V494-L499 HydrophobicContact CG2-CG 3.96Å |
| 495 | T | 75.9 | Confident | 56.5 | Low | 84 Ų | 84 | 131.6 Ų | 131.6 | 52% | 0.515 | 66% | 0.662 | S | S | . | * | | | trans | -74.1 | 159.6 | 174.5 | 55.5 | 0 | 0 | 0 | 0 | 110.2 | K493 M497 Q498 L499 | K493-T495 PolarHBondContact O-N 3.08Å; T495-M497 PolarHBondContact O-N 2.91Å; T495-M497 VanDerWaalsContact O-N 3.17Å; T495-Q498 WeakPolarHBondContact O-CB 3.37Å; T495-Q498 PolarHBondContact O-N 3.06Å; T495-L499 PolarHBondContact O-N 3.48Å; T495-L499 VanDerWaalsContact O-N 3.08Å |
| 496 | L | 74 | Confident | 57.5 | Low | 135 Ų | 135 | 129 Ų | 129 | 71% | 0.707 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -53.8 | -37.3 | 175.8 | -162.8 | 85.3 | 0 | 0 | 0 | 111.8 | Q498 L499 L500 | L496-Q498 VanDerWaalsContact C-N 3.33Å; L496-Q498 PolarHBondContact O-N 2.9Å; L496-L499 PolarHBondContact O-N 2.74Å; L496-L500 HydrophobicContact CD2-CD1 4.31Å; L496-L500 HydrophobicContact CG-CD1 4.29Å; L496-L500 WeakPolarHBondContact O-CB 3.4Å; L496-L500 VanDerWaalsContact O-CG 3.28Å; L496-L500 WeakPolarHBondContact O-CG 3.42Å; L496-L500 PolarHBondContact O-N 2.85Å |
| 497 | M | 77.6 | Confident | 58.4 | Low | 129 Ų | 129 | 130.9 Ų | 130.9 | 64% | 0.635 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -57.6 | -44.5 | 174.1 | -167.8 | 74.3 | 77.5 | 0 | 0 | 111.9 | T495 L500 L501 | T495-M497 PolarHBondContact O-N 2.91Å; T495-M497 VanDerWaalsContact O-N 3.17Å; M497-L500 PolarHBondContact O-N 3.42Å; M497-L501 HydrophobicContact CG-CD1 4.06Å; M497-L501 WeakPolarHBondContact O-CB 3.32Å; M497-L501 VanDerWaalsContact O-CG 3.28Å; M497-L501 WeakPolarHBondContact O-CG 3.49Å; M497-L501 PolarHBondContact O-N 2.87Å |
| 498 | Q | 72.4 | Confident | 59.5 | Low | 104 Ų | 104 | 132.9 Ų | 132.9 | 49% | 0.486 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -69.4 | -42.5 | -178.8 | -166.8 | 155 | 1.7 | 0 | 0 | 111.4 | V494 T495 L496 L500 L501 E502 | V494-Q498 HydrophobicContact CB-CB 4.41Å; V494-Q498 HydrophobicContact CG1-CG 4.36Å; T495-Q498 WeakPolarHBondContact O-CB 3.37Å; T495-Q498 PolarHBondContact O-N 3.06Å; L496-Q498 VanDerWaalsContact C-N 3.33Å; L496-Q498 PolarHBondContact O-N 2.9Å; Q498-L500 VanDerWaalsContact C-N 3.31Å; Q498-L500 PolarHBondContact O-N 2.95Å; Q498-L501 PolarHBondContact O-N 2.81Å; Q498-E502 WeakPolarHBondContact O-CB 3.38Å; Q498-E502 PolarHBondContact O-N 3.27Å |
| 499 | L | 76.8 | Confident | 59.8 | Low | 92 Ų | 92 | 127.8 Ų | 127.8 | 48% | 0.482 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -59.3 | -38.5 | 171.5 | -81.1 | 163 | 0 | 0 | 0 | 112.8 | V494 T495 L496 R503 | V494-L499 HydrophobicContact CB-CG 4.49Å; V494-L499 HydrophobicContact CG2-CD1 4.08Å; V494-L499 HydrophobicContact CG2-CD2 4.36Å; V494-L499 HydrophobicContact CG2-CG 3.96Å; T495-L499 PolarHBondContact O-N 3.48Å; T495-L499 VanDerWaalsContact O-N 3.08Å; L496-L499 PolarHBondContact O-N 2.74Å; L499-R503 VanDerWaalsContact O-CB 3.27Å; L499-R503 WeakPolarHBondContact O-CB 3.24Å; L499-R503 PolarHBondContact O-N 2.87Å |
| 500 | L | 78.6 | Confident | 60.4 | Low | 105 Ų | 105 | 124 Ų | 124 | 55% | 0.55 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -69.6 | -43.2 | 177.4 | -71.9 | 167.1 | 0 | 0 | 0 | 112.3 | L496 M497 Q498 R504 | L496-L500 HydrophobicContact CD2-CD1 4.31Å; L496-L500 HydrophobicContact CG-CD1 4.29Å; L496-L500 WeakPolarHBondContact O-CB 3.4Å; L496-L500 VanDerWaalsContact O-CG 3.28Å; L496-L500 WeakPolarHBondContact O-CG 3.42Å; L496-L500 PolarHBondContact O-N 2.85Å; M497-L500 PolarHBondContact O-N 3.42Å; Q498-L500 VanDerWaalsContact C-N 3.31Å; Q498-L500 PolarHBondContact O-N 2.95Å; L500-R504 PolarHBondContact O-N 2.85Å |
| 501 | L | 74.1 | Confident | 61.2 | Low | 115 Ų | 115 | 128.5 Ų | 128.5 | 60% | 0.602 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.2 | -42.8 | 175.1 | -70.7 | 167.2 | 0 | 0 | 0 | 111.7 | M497 Q498 R504 N505 | M497-L501 HydrophobicContact CG-CD1 4.06Å; M497-L501 WeakPolarHBondContact O-CB 3.32Å; M497-L501 VanDerWaalsContact O-CG 3.28Å; M497-L501 WeakPolarHBondContact O-CG 3.49Å; M497-L501 PolarHBondContact O-N 2.87Å; Q498-L501 PolarHBondContact O-N 2.81Å; L501-R504 WeakPolarHBondContact O-CB 3.36Å; L501-R504 PolarHBondContact O-N 3.2Å; L501-N505 PolarHBondContact O-N 3.04Å |
| 502 | E | 62.3 | Low | 61.1 | Low | 94 Ų | 94 | 124.3 Ų | 124.3 | 44% | 0.439 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -68 | -36.6 | 179.8 | -174.1 | 160.5 | -124.4 | 0 | 0 | 111.9 | Q498 R504 N505 N506 | Q498-E502 WeakPolarHBondContact O-CB 3.38Å; Q498-E502 PolarHBondContact O-N 3.27Å; E502-R504 VanDerWaalsContact C-N 3.33Å; E502-R504 PolarHBondContact O-N 3.05Å; E502-N505 PolarHBondContact O-N 3Å; E502-N506 WeakPolarHBondContact CG-ND2 3.18Å; E502-N506 VanDerWaalsContact O-CB 3.29Å; E502-N506 WeakPolarHBondContact O-CB 3.17Å; E502-N506 PolarHBondContact O-N 3.34Å; E502-N506 PolarHBondContact O-ND2 3.5Å |
| 503 | R | 61 | Low | 60.6 | Low | 200 Ų | 200 | 126 Ų | 126 | 76% | 0.755 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -61.5 | -40.2 | 169.8 | -163.6 | -179.4 | -145.5 | -133.1 | 6 | 112 | L499 N505 N506 E507 | L499-R503 VanDerWaalsContact O-CB 3.27Å; L499-R503 WeakPolarHBondContact O-CB 3.24Å; L499-R503 PolarHBondContact O-N 2.87Å; R503-N505 VanDerWaalsContact C-N 3.27Å; R503-N505 PolarHBondContact O-N 2.92Å; R503-N506 PolarHBondContact O-N 3.35Å; R503-E507 PolarHBondContact O-N 3.48Å |
| 504 | R | 59.7 | Low | 59.5 | Low | 200 Ų | 200 | 119.1 Ų | 119.1 | 76% | 0.755 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -69 | -22.3 | 176.9 | -139.4 | -66.6 | -172.2 | 93.4 | 2.2 | 113 | L500 L501 E502 | L500-R504 PolarHBondContact O-N 2.85Å; L501-R504 WeakPolarHBondContact O-CB 3.36Å; L501-R504 PolarHBondContact O-N 3.2Å; E502-R504 VanDerWaalsContact C-N 3.33Å; E502-R504 PolarHBondContact O-N 3.05Å |
| 505 | N | 56.3 | Low | 57.8 | Low | 114 Ų | 114 | 126.1 Ų | 126.1 | 61% | 0.61 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -89.3 | -40.1 | 175 | -160.7 | 29.1 | 0 | 0 | 0 | 111.8 | L501 E502 R503 E507 M508 A509 | L501-N505 PolarHBondContact O-N 3.04Å; E502-N505 PolarHBondContact O-N 3Å; R503-N505 VanDerWaalsContact C-N 3.27Å; R503-N505 PolarHBondContact O-N 2.92Å; N505-E507 VanDerWaalsContact C-N 3.26Å; N505-E507 PolarHBondContact O-N 3.39Å; N505-M508 PolarHBondContact O-N 2.88Å; N505-A509 PolarHBondContact O-N 3.07Å |
| 506 | N | 56 | Low | 55.7 | Low | 63 Ų | 63 | 131.3 Ų | 131.3 | 34% | 0.337 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -63.9 | -25.4 | -178.1 | -93.9 | -86 | 0 | 0 | 0 | 114.2 | E502 R503 M508 A509 N510 | E502-N506 WeakPolarHBondContact CG-ND2 3.18Å; E502-N506 VanDerWaalsContact O-CB 3.29Å; E502-N506 WeakPolarHBondContact O-CB 3.17Å; E502-N506 PolarHBondContact O-N 3.34Å; E502-N506 PolarHBondContact O-ND2 3.5Å; R503-N506 PolarHBondContact O-N 3.35Å; N506-M508 PolarHBondContact O-N 2.86Å; N506-A509 PolarHBondContact O-N 3.38Å; N506-N510 WeakPolarHBondContact CB-ND2 3.29Å; N506-N510 PolarHBondContact O-N 3.32Å; N506-N510 VanDerWaalsContact O-N 3.12Å; N506-N510 PolarHBondContact O-ND2 2.92Å; N506-N510 PolarHBondContact OD1-ND2 2.92Å |
| 507 | E | 53.1 | Low | 53.7 | Low | 168 Ų | 168 | 129.9 Ų | 129.9 | 79% | 0.785 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -61.1 | -28.4 | 176.7 | -168.5 | 172.6 | -178.6 | 0 | 0 | 113 | R503 N505 | R503-E507 PolarHBondContact O-N 3.48Å; N505-E507 VanDerWaalsContact C-N 3.26Å; N505-E507 PolarHBondContact O-N 3.39Å |
| 508 | M | 52.4 | Low | 51.4 | Low | 175 Ų | 175 | 129 Ų | 129 | 86% | 0.862 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -103 | -9.9 | 175.4 | -60.4 | -158 | -60.3 | 0 | 0 | 114.1 | N505 N506 | N505-M508 PolarHBondContact O-N 2.88Å; N506-M508 PolarHBondContact O-N 2.86Å |
| 509 | A | 52.2 | Low | 49.9 | Very low | 48 Ų | 48 | 129 Ų | 129 | 40% | 0.397 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -93.2 | -27.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | N505 N506 K511 | N505-A509 PolarHBondContact O-N 3.07Å; N506-A509 PolarHBondContact O-N 3.38Å; A509-K511 PolarHBondContact O-N 2.78Å |
| 510 | N | 44.6 | Very low | 47.8 | Very low | 116 Ų | 116 | 132 Ų | 132 | 62% | 0.62 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | 46.8 | -174.3 | -75.7 | -68.2 | 0 | 0 | 0 | 114.6 | N506 | N506-N510 WeakPolarHBondContact CB-ND2 3.29Å; N506-N510 PolarHBondContact O-N 3.32Å; N506-N510 VanDerWaalsContact O-N 3.12Å; N506-N510 PolarHBondContact O-ND2 2.92Å; N506-N510 PolarHBondContact OD1-ND2 2.92Å |
| 511 | K | 51.3 | Low | 45.5 | Very low | 208 Ų | 208 | 132.9 Ų | 132.9 | 90% | 0.904 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.3 | 29.1 | 165.4 | -74.6 | -165.7 | 174.6 | -177.8 | 0 | 113.3 | A509 | A509-K511 PolarHBondContact O-N 2.78Š|
| 512 | S | 37.7 | Very low | 43.6 | Very low | 92 Ų | 92 | 134.4 Ų | 134.4 | 64% | 0.643 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -158.6 | 129.6 | 169.8 | 51.8 | 0 | 0 | 0 | 0 | 110 | | |
| 513 | T | 35.5 | Very low | 42.1 | Very low | 136 Ų | 136 | 136.4 Ų | 136.4 | 83% | 0.834 | 71% | 0.711 | S | S | * | * | | | cis | -154.6 | 153.8 | -12.5 | -51.1 | 0 | 0 | 0 | 0 | 106.9 | | |
| 514 | G | 32.2 | Very low | 40.8 | Very low | 67 Ų | 67 | 135.2 Ų | 135.2 | 69% | 0.691 | 72% | 0.716 | S | S | * | * | | | trans | -67.5 | 147.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q516 | G514-Q516 PolarHBondContact O-N 3.16Š|
| 515 | R | 31.1 | Very low | 39.4 | Very low | 204 Ų | 204 | 129.9 Ų | 129.9 | 77% | 0.77 | 71% | 0.714 | S | S | * | * | | | trans | -59.8 | 131.4 | 178.7 | -92.1 | -178.8 | 168.6 | -94.4 | -3.3 | 112.4 | D517 | R515-D517 IonicContact CZ-OD1 3.78Å; R515-D517 IonicContact CZ-OD2 3.87Å; R515-D517 IonicContact NH1-OD1 2.66Å; R515-D517 PolarHBondContact NH1-OD1 2.97Å; R515-D517 IonicContact NH1-OD2 2.7Å; R515-D517 PolarHBondContact NH1-OD2 3.26Å |
| 516 | Q | 31.1 | Very low | 38.3 | Very low | 193 Ų | 193 | 130.9 Ų | 130.9 | 90% | 0.902 | 72% | 0.72 | S | S | * | * | | | | -134.8 | 160.6 | 123 | -77.9 | -156.4 | -15.1 | 0 | 0 | 108.8 | G514 | G514-Q516 PolarHBondContact O-N 3.16Š|
| 517 | D | 31 | Very low | 37.4 | Very low | 104 Ų | 104 | 136.1 Ų | 136.1 | 56% | 0.556 | 75% | 0.745 | S | S | * | * | | | trans | -110.8 | 123.3 | -164.1 | -77 | -97.4 | 0 | 0 | 0 | 113.2 | R515 | R515-D517 IonicContact CZ-OD1 3.78Å; R515-D517 IonicContact CZ-OD2 3.87Å; R515-D517 IonicContact NH1-OD1 2.66Å; R515-D517 PolarHBondContact NH1-OD1 2.97Å; R515-D517 IonicContact NH1-OD2 2.7Å; R515-D517 PolarHBondContact NH1-OD2 3.26Å |
| 518 | S | 29.6 | Very low | 36.2 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | | | trans | 67.7 | 171.2 | 152.8 | 81.9 | 0 | 0 | 0 | 0 | 118.3 | | |
| 519 | P | 41.6 | Very low | 35 | Very low | 103 Ų | 103 | 135.4 Ų | 135.4 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | | | cis | -129.2 | 172.5 | -17.9 | 20 | 3.4 | 0 | 0 | 0 | 115.2 | | |
| 520 | L | 33.6 | Very low | 33.8 | Very low | 156 Ų | 156 | 139.1 Ų | 139.1 | 82% | 0.817 | 76% | 0.755 | S | S | * | * | | | trans | 76 | 158 | 148.1 | -77.3 | 160.8 | 0 | 0 | 0 | 122.9 | | |
| 521 | D | 28.9 | Very low | 33.2 | Very low | 123 Ų | 123 | 142.5 Ų | 142.5 | 66% | 0.658 | 77% | 0.767 | S | S | * | * | | | trans | 62.3 | 100.3 | 162.1 | -63.2 | -7.2 | 0 | 0 | 0 | 124 | | |
| 522 | I | 34.4 | Very low | 32.2 | Very low | 148 Ų | 148 | 140.5 Ų | 140.5 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | | | | 40.2 | 115 | 113.2 | -51.6 | 159.8 | 0 | 0 | 0 | 117.4 | | |
| 523 | T | 31.1 | Very low | 31.7 | Very low | 135 Ų | 135 | 146.1 Ų | 146.1 | 83% | 0.828 | 77% | 0.774 | S | S | * | * | | | | 178.6 | 145.9 | 114.2 | -69.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 524 | M | 33.8 | Very low | 31.3 | Very low | 176 Ų | 176 | 143.6 Ų | 143.6 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | | | trans | -95.3 | 153.4 | 171.3 | -73.6 | -150.8 | -62 | 0 | 0 | 113 | | |
| 525 | A | 31 | Very low | 30.9 | Very low | 87 Ų | 87 | 145.6 Ų | 145.6 | 72% | 0.719 | 78% | 0.778 | S | S | * | * | | | trans | 98.2 | 124.8 | 155 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 526 | N | 32.7 | Very low | 30.7 | Very low | 135 Ų | 135 | 141.9 Ų | 141.9 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | | | trans | 87.7 | 114 | 132.1 | -75.1 | -9 | 0 | 0 | 0 | 124.1 | | |
| 527 | M | 36.9 | Very low | 30.3 | Very low | 174 Ų | 174 | 137.9 Ų | 137.9 | 86% | 0.857 | 77% | 0.766 | S | S | * | * | | | | 69.1 | 124.4 | 121.4 | -54.4 | -68.5 | -176.8 | 0 | 0 | 121.5 | | |
| 528 | S | 27 | Very low | 30.1 | Very low | 108 Ų | 108 | 145 Ų | 145 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | | | trans | -157.7 | 136.5 | 149.8 | -152.3 | 0 | 0 | 0 | 0 | 106.4 | | |
| 529 | R | 27.4 | Very low | 29.8 | Very low | 219 Ų | 219 | 147.2 Ų | 147.2 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | | | cis | -142 | 169.4 | 22.6 | -78.7 | -175.9 | 179.1 | 173.2 | -0 | 109.2 | | |
| 530 | N | 27.1 | Very low | 29 | Very low | 126 Ų | 126 | 151.1 Ų | 151.1 | 67% | 0.674 | 79% | 0.793 | S | S | * | * | | | cis | -157.6 | 137.5 | -1.3 | -116.6 | 3.7 | 0 | 0 | 0 | 107.9 | | |
| 531 | Q | 31.4 | Very low | 28.6 | Very low | 187 Ų | 187 | 147 Ų | 147 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | | | trans | -145.6 | 154.9 | 152.8 | -91.9 | -60.3 | -0.1 | 0 | 0 | 109.2 | | |
| 532 | Q | 30.5 | Very low | 29.2 | Very low | 167 Ų | 167 | 146.8 Ų | 146.8 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | | | trans | -110.6 | 147.5 | -169.2 | -65.3 | -178.4 | -59.2 | 0 | 0 | 113.6 | | |
| 533 | K | 27.7 | Very low | 28.8 | Very low | 210 Ų | 210 | 145.7 Ų | 145.7 | 91% | 0.913 | 79% | 0.794 | S | S | * | * | | | trans | 58.2 | 115.6 | 160.1 | -66.6 | -179 | 175.1 | -175.6 | 0 | 118.1 | | |
| 534 | G | 27 | Very low | 28.5 | Very low | 82 Ų | 82 | 149 Ų | 149 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | | | trans | -179 | 118.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 535 | S | 24.7 | Very low | 28.3 | Very low | 109 Ų | 109 | 145.9 Ų | 145.9 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | | | trans | -96.2 | 125.9 | -175.7 | 55.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 536 | V | 27.2 | Very low | 28.4 | Very low | 126 Ų | 126 | 146.8 Ų | 146.8 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | | | | 104.5 | 136.3 | 89.5 | 160.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 537 | T | 22.7 | Very low | 28.2 | Very low | 109 Ų | 109 | 147.6 Ų | 147.6 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | | | trans | 64.1 | 125.8 | 165.5 | -60.2 | 0 | 0 | 0 | 0 | 119.4 | E539 | T537-E539 HydrophobicContact CG2-CB 3.96Å; T537-E539 HydrophobicContact CG2-CG 4.04Å |
| 538 | W | 26.4 | Very low | 27.7 | Very low | 254 Ų | 254 | 147.7 Ų | 147.7 | 96% | 0.962 | 79% | 0.792 | S | S | * | * | | | trans | -104.3 | 140.3 | 140.1 | -94.8 | 96.4 | 0 | 0 | 0 | 107.7 | | |
| 539 | E | 22.7 | Very low | 28 | Very low | 157 Ų | 157 | 153.3 Ų | 153.3 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | trans | -138 | 157.5 | 172.4 | -113.7 | -76.2 | 94.8 | 0 | 0 | 108.9 | T537 | T537-E539 HydrophobicContact CG2-CB 3.96Å; T537-E539 HydrophobicContact CG2-CG 4.04Å |
| 540 | E | 24.4 | Very low | 28.3 | Very low | 186 Ų | 186 | 148.3 Ų | 148.3 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | | | trans | -76.5 | 157.6 | -170.8 | -165.9 | 165 | -137.3 | 0 | 0 | 113 | | |
| 541 | G | 26.3 | Very low | 28.6 | Very low | 69 Ų | 69 | 147.6 Ų | 147.6 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | | | trans | 172.8 | 129.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 542 | P | 40.2 | Very low | 28.6 | Very low | 118 Ų | 118 | 141.9 Ų | 141.9 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | | | trans | -117.9 | -164.8 | -169 | 42.9 | -33.5 | 0 | 0 | 0 | 115.3 | | |
| 543 | T | 25.8 | Very low | 29 | Very low | 126 Ų | 126 | 140 Ų | 140 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | | | trans | 77.8 | 111.7 | -179.9 | 70.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 544 | K | 25.6 | Very low | 29 | Very low | 203 Ų | 203 | 135.4 Ų | 135.4 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | | | | 74 | 118.9 | 71.5 | -74.8 | -174.4 | 176.4 | 179.3 | 0 | 112.9 | | |
| 545 | S | 30.1 | Very low | 29.1 | Very low | 112 Ų | 112 | 140.7 Ų | 140.7 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | | | trans | -69.1 | 174.5 | 175.9 | 55.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 546 | P | 33.6 | Very low | 29.3 | Very low | 106 Ų | 106 | 139.8 Ų | 139.8 | 69% | 0.688 | 79% | 0.789 | S | S | * | * | | | | -146.4 | 169.5 | 102.5 | 41 | -28.2 | 0 | 0 | 0 | 115.4 | | |
| 547 | I | 26.7 | Very low | 29.4 | Very low | 151 Ų | 151 | 140.4 Ų | 140.4 | 77% | 0.774 | 79% | 0.792 | S | S | * | * | | | trans | 68.1 | 142.3 | 159.2 | -96.2 | 68.5 | 0 | 0 | 0 | 115.7 | | |
| 548 | E | 28 | Very low | 30 | Very low | 176 Ų | 176 | 146.1 Ų | 146.1 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | | | cis | -130.7 | 135.5 | 4.1 | -142 | 162.1 | 178.8 | 0 | 0 | 113.2 | | |
| 549 | R | 33.3 | Very low | 30.2 | Very low | 227 Ų | 227 | 139.4 Ų | 139.4 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | | | trans | -123.7 | 165.5 | 155.5 | -127.9 | -164.7 | -81.3 | 133.8 | -9.7 | 104.2 | | |
| 550 | P | 33.8 | Very low | 31.2 | Very low | 114 Ų | 114 | 140.1 Ų | 140.1 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | | | cis | -140.7 | 137.8 | -4.7 | 36 | -16 | 0 | 0 | 0 | 115.4 | | |
| 551 | A | 33.4 | Very low | 31.5 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 92% | 0.917 | 80% | 0.798 | S | S | * | * | | | trans | -153.3 | 147.6 | 158.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 552 | G | 30.9 | Very low | 32.3 | Very low | 67 Ų | 67 | 143.4 Ų | 143.4 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | | | cis | 171 | 136.9 | -2.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 553 | P | 37.7 | Very low | 32.2 | Very low | 126 Ų | 126 | 144.4 Ų | 144.4 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | -87.6 | 175.2 | -157.8 | 34.6 | -37.8 | 0 | 0 | 0 | 115.5 | | |
| 554 | S | 29 | Very low | 32.6 | Very low | 115 Ų | 115 | 145.8 Ų | 145.8 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | trans | 83.2 | 99.6 | 163.6 | 72.4 | 0 | 0 | 0 | 0 | 119.3 | | |
| 555 | Q | 28.2 | Very low | 33 | Very low | 192 Ų | 192 | 139.5 Ų | 139.5 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | | | trans | -154.7 | 147.3 | 145.1 | -80.5 | -153.2 | 10.7 | 0 | 0 | 108.5 | | |
| 556 | S | 28.7 | Very low | 33.1 | Very low | 91 Ų | 91 | 139.2 Ų | 139.2 | 64% | 0.636 | 81% | 0.807 | S | S | * | * | | | cis | -163.6 | 156 | -22.6 | -161.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 557 | V | 29.7 | Very low | 32.9 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 84% | 0.842 | 81% | 0.81 | S | S | * | * | | | trans | 53.8 | 159.6 | 163.3 | -77.4 | 0 | 0 | 0 | 0 | 122.2 | | |
| 558 | Y | 35 | Very low | 32.9 | Very low | 228 Ų | 228 | 140 Ų | 140 | 89% | 0.894 | 81% | 0.814 | S | S | * | * | | | trans | -86.5 | 167.3 | 179 | -89.3 | -122.2 | 0 | 0 | 0 | 113.2 | | |
| 559 | S | 32.1 | Very low | 32.7 | Very low | 113 Ų | 113 | 136.9 Ų | 136.9 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | | | trans | 92.8 | 101.5 | 153.5 | -55.7 | 0 | 0 | 0 | 0 | 121 | | |
| 560 | L | 41.9 | Very low | 33.6 | Very low | 172 Ų | 172 | 131 Ų | 131 | 90% | 0.901 | 80% | 0.802 | S | S | * | * | | | trans | 60.7 | 107.2 | 131.5 | -170.2 | 71.4 | 0 | 0 | 0 | 121.5 | | |
| 561 | S | 32.2 | Very low | 33.3 | Very low | 109 Ų | 109 | 135.8 Ų | 135.8 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | | | | 169.5 | 135.2 | 126.1 | -168.1 | 0 | 0 | 0 | 0 | 116.5 | | |
| 562 | R | 41.6 | Very low | 32.9 | Very low | 216 Ų | 216 | 135 Ų | 135 | 82% | 0.815 | 80% | 0.796 | S | S | * | * | | | trans | 53 | 130.4 | 154.8 | -80.7 | -170.6 | 174.5 | 153.8 | 3.3 | 127.6 | | |
| 563 | D | 39.2 | Very low | 32.6 | Very low | 138 Ų | 138 | 142.4 Ų | 142.4 | 74% | 0.738 | 80% | 0.804 | S | S | * | * | | | trans | 72.1 | 122.4 | 141.1 | -50 | -17.7 | 0 | 0 | 0 | 124 | | |
| 564 | T | 35.1 | Very low | 33.4 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 96% | 0.957 | 80% | 0.799 | S | S | * | * | | | trans | -156.7 | 174 | 176.1 | 60.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 565 | G | 32.1 | Very low | 33.3 | Very low | 71 Ų | 71 | 141.2 Ų | 141.2 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | | | cis | 166.6 | 165 | -8.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 566 | A | 32.1 | Very low | 34.6 | Very low | 105 Ų | 105 | 134.7 Ų | 134.7 | 87% | 0.868 | 77% | 0.77 | S | S | * | * | | | trans | 68.8 | 117 | 154.7 | 0 | 0 | 0 | 0 | 0 | 126.5 | | |
| 567 | A | 30.1 | Very low | 34.9 | Very low | 92 Ų | 92 | 134.8 Ų | 134.8 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | | | | 75.4 | 107.9 | 124.7 | 0 | 0 | 0 | 0 | 0 | 128.1 | | |
| 568 | Q | 26.5 | Very low | 35.1 | Very low | 183 Ų | 183 | 133.4 Ų | 133.4 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | | | | 66.3 | 119.2 | 121.5 | -60.5 | -163.2 | 55.5 | 0 | 0 | 128.1 | | |
| 569 | S | 24 | Very low | 35.3 | Very low | 110 Ų | 110 | 131.1 Ų | 131.1 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | | | | 88.5 | 162.2 | 127.3 | -92.1 | 0 | 0 | 0 | 0 | 125.2 | | |
| 570 | P | 52.2 | Low | 35.3 | Very low | 102 Ų | 102 | 130.5 Ų | 130.5 | 66% | 0.662 | 75% | 0.745 | S | S | * | * | | | | -137.8 | -162.9 | -126.9 | 39.1 | -15.3 | 0 | 0 | 0 | 120.6 | | |
| 571 | Y | 27 | Very low | 34.8 | Very low | 215 Ų | 215 | 127.6 Ų | 127.6 | 84% | 0.843 | 74% | 0.74 | S | S | * | * | | | trans | 100 | 161.7 | 175 | -75.5 | -112.3 | 0 | 0 | 0 | 117.8 | | |
| 572 | S | 25.3 | Very low | 35.4 | Very low | 96 Ų | 96 | 127.5 Ų | 127.5 | 67% | 0.671 | 74% | 0.737 | S | S | * | * | | | cis | 177.3 | 159.2 | -32.4 | -86.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 573 | Y | 25.8 | Very low | 35.2 | Very low | 221 Ų | 221 | 125.2 Ų | 125.2 | 87% | 0.867 | 74% | 0.74 | S | S | * | * | | | cis | -152.9 | -62.4 | -22.5 | -152.8 | -110.2 | 0 | 0 | 0 | 118.6 | | |
| 574 | P | 52.9 | Low | 35 | Very low | 110 Ų | 110 | 125.6 Ų | 125.6 | 71% | 0.714 | 74% | 0.741 | S | S | * | * | | | trans | -122.8 | -160.6 | -151.1 | 44.3 | -28.7 | 0 | 0 | 0 | 116.8 | | |
| 575 | S | 27 | Very low | 35.3 | Very low | 107 Ų | 107 | 126.4 Ų | 126.4 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | | | cis | -141.2 | -102.9 | 0.6 | -159.2 | 0 | 0 | 0 | 0 | 118.4 | | |
| 576 | P | 56.2 | Low | 35.1 | Very low | 54 Ų | 54 | 128.9 Ų | 128.9 | 35% | 0.351 | 74% | 0.744 | S | S | . | * | | | trans | -139.7 | -170.5 | -131.2 | 41.3 | -17.7 | 0 | 0 | 0 | 121.9 | L845 C846 | P576-L845 CarbonylContact O-C 3.37Å; P576-L845 VanDerWaalsContact O-CB 3.26Å; P576-L845 WeakPolarHBondContact O-CB 3.29Å; P576-C846 WeakPolarHBondContact CD-O 3.31Å; P576-C846 VanDerWaalsContact CG-O 3.27Å; P576-C846 WeakPolarHBondContact CG-O 3.27Å; P576-C846 PolarHBondContact O-N 3.12Å |
| 577 | H | 36.1 | Very low | 35.4 | Very low | 94 Ų | 94 | 134.2 Ų | 134.2 | 44% | 0.435 | 75% | 0.747 | S | S | . | * | | | trans | 76.4 | 104.4 | 149.1 | -154.7 | 105.7 | 0 | 0 | 0 | 127.1 | L845 C846 S847 | H577-L845 VanDerWaalsContact O-CD2 3.25Å; H577-L845 WeakPolarHBondContact O-CD2 3.23Å; H577-C846 HydrophobicContact CB-CB 3.85Å; H577-S847 VanDerWaalsContact CB-OG 3.29Å; H577-S847 WeakPolarHBondContact CB-OG 3.3Å; H577-S847 PolarHBondContact CD2-OG 3.2Å |
| 578 | V | 33.8 | Very low | 35.6 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 67% | 0.667 | 75% | 0.751 | S | S | * | * | | | trans | 51.3 | 124.3 | 138.2 | -168.3 | 0 | 0 | 0 | 0 | 126.4 | | |
| 579 | Q | 37.3 | Very low | 36.2 | Very low | 179 Ų | 179 | 136.1 Ų | 136.1 | 84% | 0.836 | 75% | 0.751 | S | S | * | * | | | trans | -177.8 | 166.8 | 143.1 | -98 | -143 | 17.4 | 0 | 0 | 110.1 | | |
| 580 | S | 32.8 | Very low | 36.6 | Very low | 100 Ų | 100 | 136.6 Ų | 136.6 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | | | cis | -168 | -167.7 | -17.9 | 51.7 | 0 | 0 | 0 | 0 | 111 | | |
| 581 | S | 30.9 | Very low | 35.6 | Very low | 112 Ų | 112 | 141 Ų | 141 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | | | trans | -147.5 | -171.4 | -178.4 | 71.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 582 | P | 44.7 | Very low | 36.6 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | | | cis | -136.7 | -172.9 | -6.9 | 41.8 | -23.2 | 0 | 0 | 0 | 115.2 | | |
| 583 | L | 39.1 | Very low | 36.9 | Very low | 168 Ų | 168 | 136 Ų | 136 | 88% | 0.88 | 76% | 0.758 | S | S | * | * | | | | 168.3 | 162.7 | 129.7 | -93.4 | 171.1 | 0 | 0 | 0 | 116.1 | | |
| 584 | D | 34.6 | Very low | 37.1 | Very low | 145 Ų | 145 | 131.2 Ų | 131.2 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | | | trans | -77.8 | 159.1 | -172.7 | -87.6 | -60.8 | 0 | 0 | 0 | 117.7 | | |
| 585 | L | 40.9 | Very low | 36.5 | Very low | 173 Ų | 173 | 133.7 Ų | 133.7 | 91% | 0.906 | 75% | 0.747 | S | S | * | * | | | trans | -138.5 | 102.9 | 168 | -72.2 | 177.7 | 0 | 0 | 0 | 113.1 | | |
| 586 | C | 28.9 | Very low | 36.7 | Very low | 123 Ų | 123 | 133.3 Ų | 133.3 | 83% | 0.831 | 75% | 0.75 | S | S | * | * | | | trans | -128 | 90.1 | 173.2 | -84.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 587 | K | 37.6 | Very low | 35.9 | Very low | 217 Ų | 217 | 136.2 Ų | 136.2 | 94% | 0.943 | 77% | 0.772 | S | S | * | * | | | trans | -141.5 | 141.6 | 162.9 | -72.1 | -169.6 | 178.3 | 177 | 0 | 110.1 | | |
| 588 | S | 34.6 | Very low | 35.8 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | | | trans | -109.7 | 146.4 | -164.2 | 48.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 589 | K | 38.4 | Very low | 36.4 | Very low | 197 Ų | 197 | 141.3 Ų | 141.3 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | | | trans | -159.4 | 144.9 | 151.4 | -145.2 | 168.2 | -175.3 | 177.9 | 0 | 110.4 | | |
| 590 | T | 31.8 | Very low | 36.6 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 73% | 0.73 | 80% | 0.795 | S | S | * | * | | | trans | -131.2 | 135.4 | -171.4 | -51.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 591 | F | 32.1 | Very low | 37.3 | Very low | 195 Ų | 195 | 141.4 Ų | 141.4 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | | | trans | -154.6 | 165.5 | 157.7 | -84 | -55.4 | 0 | 0 | 0 | 109.1 | | |
| 592 | P | 48.1 | Very low | 38.2 | Very low | 113 Ų | 113 | 139.2 Ų | 139.2 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | | | trans | -115.3 | 172.1 | -138.3 | 41.9 | -36.1 | 0 | 0 | 0 | 117.5 | | |
| 593 | A | 31.3 | Very low | 38.9 | Very low | 94 Ų | 94 | 137.1 Ų | 137.1 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | | | trans | 74.8 | 149.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 594 | D | 30.6 | Very low | 39.6 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | | | cis | -154.2 | 163 | 1 | -149.4 | -16.4 | 0 | 0 | 0 | 113 | | |
| 595 | K | 39 | Very low | 41.2 | Very low | 163 Ų | 163 | 132.7 Ų | 132.7 | 71% | 0.709 | 76% | 0.755 | S | S | * | * | | | trans | 55.4 | 119 | 165 | -45.3 | -57.8 | 178.3 | -120.6 | 0 | 120.9 | | |
| 596 | A | 32.8 | Very low | 42.8 | Very low | 99 Ų | 99 | 129.1 Ų | 129.1 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | | | trans | 61.3 | 148 | 145.2 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 597 | S | 38.9 | Very low | 44.9 | Very low | 115 Ų | 115 | 129 Ų | 129 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | | | cis | -168.8 | 115.1 | -21.4 | 51.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 598 | E | 34 | Very low | 46.5 | Very low | 183 Ų | 183 | 124.4 Ų | 124.4 | 86% | 0.855 | 71% | 0.708 | S | S | * | * | | | trans | -154 | 138.5 | 165.4 | -164 | 171.4 | -162.3 | 0 | 0 | 110.9 | A600 | E598-A600 PolarHBondContact O-N 3.43Š|
| 599 | P | 45.9 | Very low | 47.9 | Very low | 128 Ų | 128 | 123 Ų | 123 | 83% | 0.831 | 69% | 0.692 | S | S | * | * | | | trans | -83.6 | 75.5 | -173.7 | 33.9 | -36.3 | 0 | 0 | 0 | 113.1 | F601 | P599-F601 PolarHBondContact O-N 3.07Š|
| 600 | A | 42 | Very low | 49.4 | Very low | 91 Ų | 91 | 119.4 Ų | 119.4 | 75% | 0.752 | 68% | 0.681 | S | S | * | * | | | trans | -58.4 | 134.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E598 S602 | E598-A600 PolarHBondContact O-N 3.43Å; A600-S602 PolarHBondContact O-N 3.06Å |
| 601 | F | 46.6 | Very low | 50.7 | Low | 190 Ų | 190 | 117.9 Ų | 117.9 | 83% | 0.833 | 68% | 0.681 | S | S | * | * | | | trans | -72.9 | 85.5 | -171.7 | -163.1 | -89 | 0 | 0 | 0 | 112.3 | P599 A603 | P599-F601 PolarHBondContact O-N 3.07Å; F601-A603 PolarHBondContact O-N 2.91Å |
| 602 | S | 50.6 | Low | 51.7 | Low | 65 Ų | 65 | 115.4 Ų | 115.4 | 46% | 0.455 | 67% | 0.672 | S | S | . | * | | | trans | -79 | 103.1 | -175.4 | -171.5 | 0 | 0 | 0 | 0 | 112.4 | A600 S604 K605 | A600-S602 PolarHBondContact O-N 3.06Å; S602-S604 PolarHBondContact O-N 3.32Å; S602-S604 PolarHBondContact OG-OG 3.49Å; S602-K605 WeakPolarHBondContact O-CB 3.36Å; S602-K605 PolarHBondContact O-N 2.76Å |
| 603 | A | 58.5 | Low | 51.4 | Low | 64 Ų | 64 | 115.8 Ų | 115.8 | 53% | 0.529 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -58.2 | -29.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | F601 K605 L606 L607 | F601-A603 PolarHBondContact O-N 2.91Å; A603-K605 VanDerWaalsContact C-N 3.27Å; A603-K605 PolarHBondContact O-N 3.08Å; A603-L606 WeakPolarHBondContact O-CB 3.34Å; A603-L606 PolarHBondContact O-N 3.32Å; A603-L607 PolarHBondContact O-N 2.93Å |
| 604 | S | 54.2 | Low | 52.1 | Low | 78 Ų | 78 | 113.8 Ų | 113.8 | 55% | 0.545 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -63.6 | -31.6 | 173.2 | 48.3 | 0 | 0 | 0 | 0 | 112.5 | S602 L607 Q608 | S602-S604 PolarHBondContact O-N 3.32Å; S602-S604 PolarHBondContact OG-OG 3.49Å; S604-L607 PolarHBondContact O-N 3.45Å; S604-Q608 VanDerWaalsContact O-CB 3.25Å; S604-Q608 WeakPolarHBondContact O-CB 3.22Å; S604-Q608 PolarHBondContact O-N 3.02Å |
| 605 | K | 67.9 | Low | 52.6 | Low | 142 Ų | 142 | 115.3 Ų | 115.3 | 62% | 0.617 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -72.5 | -28.6 | 176.4 | -157.5 | 173.2 | -174.6 | 179.8 | 0 | 112.4 | S602 A603 N609 | S602-K605 WeakPolarHBondContact O-CB 3.36Å; S602-K605 PolarHBondContact O-N 2.76Å; A603-K605 VanDerWaalsContact C-N 3.27Å; A603-K605 PolarHBondContact O-N 3.08Å; K605-N609 PolarHBondContact O-N 3.09Å; K605-N609 VanDerWaalsContact O-N 3.15Å; K605-N609 PolarHBondContact O-ND2 3.48Å |
| 606 | L | 75.4 | Confident | 52.6 | Low | 98 Ų | 98 | 113.9 Ų | 113.9 | 51% | 0.513 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -68.5 | -49.2 | 171.6 | -179.4 | 64.8 | 0 | 0 | 0 | 111 | A603 Q608 N609 L610 | A603-L606 WeakPolarHBondContact O-CB 3.34Å; A603-L606 PolarHBondContact O-N 3.32Å; L606-Q608 VanDerWaalsContact C-N 3.29Å; L606-Q608 PolarHBondContact O-N 3.32Å; L606-N609 PolarHBondContact O-N 3.32Å; L606-L610 HydrophobicContact CG-CD1 4.25Å; L606-L610 WeakPolarHBondContact O-CG 3.35Å; L606-L610 PolarHBondContact O-N 3.45Å |
| 607 | L | 72.3 | Confident | 52.6 | Low | 119 Ų | 119 | 114.5 Ų | 114.5 | 62% | 0.623 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -61.5 | -37.3 | 176.7 | -68.3 | 171.1 | 0 | 0 | 0 | 112.2 | A603 S604 L610 A611 | A603-L607 PolarHBondContact O-N 2.93Å; S604-L607 PolarHBondContact O-N 3.45Å; L607-L610 PolarHBondContact O-N 3.17Å; L607-A611 WeakPolarHBondContact O-CB 3.27Å; L607-A611 PolarHBondContact O-N 3.15Å |
| 608 | Q | 70.8 | Confident | 52.6 | Low | 121 Ų | 121 | 114.1 Ų | 114.1 | 57% | 0.565 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -70.4 | -31 | 177.9 | -163.9 | 167 | 42.1 | 0 | 0 | 113.1 | S604 L606 Q612 | S604-Q608 VanDerWaalsContact O-CB 3.25Å; S604-Q608 WeakPolarHBondContact O-CB 3.22Å; S604-Q608 PolarHBondContact O-N 3.02Å; L606-Q608 VanDerWaalsContact C-N 3.29Å; L606-Q608 PolarHBondContact O-N 3.32Å; Q608-Q612 WeakPolarHBondContact O-CG 3.25Å |
| 609 | N | 64.6 | Low | 53.2 | Low | 91 Ų | 91 | 111.4 Ų | 111.4 | 49% | 0.487 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -71.1 | -43.5 | 169.5 | -85.1 | -91.2 | 0 | 0 | 0 | 111.6 | K605 L606 A611 Q612 C613 | K605-N609 PolarHBondContact O-N 3.09Å; K605-N609 VanDerWaalsContact O-N 3.15Å; K605-N609 PolarHBondContact O-ND2 3.48Å; L606-N609 PolarHBondContact O-N 3.32Å; N609-A611 PolarHBondContact O-N 3.36Å; N609-Q612 PolarHBondContact O-N 2.9Å; N609-C613 PolarHBondContact O-N 3.31Å |
| 610 | L | 70 | Confident | 52.9 | Low | 121 Ų | 121 | 111 Ų | 111 | 63% | 0.634 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -59.9 | -32.2 | 177.1 | -72.6 | 167.2 | 0 | 0 | 0 | 112.4 | L606 L607 Q612 | L606-L610 HydrophobicContact CG-CD1 4.25Å; L606-L610 WeakPolarHBondContact O-CG 3.35Å; L606-L610 PolarHBondContact O-N 3.45Å; L607-L610 PolarHBondContact O-N 3.17Å; L610-Q612 VanDerWaalsContact C-N 3.3Å; L610-Q612 PolarHBondContact O-N 3.46Å |
| 611 | A | 60.1 | Low | 52.8 | Low | 87 Ų | 87 | 112.7 Ų | 112.7 | 72% | 0.719 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -5.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L607 N609 | L607-A611 WeakPolarHBondContact O-CB 3.27Å; L607-A611 PolarHBondContact O-N 3.15Å; N609-A611 PolarHBondContact O-N 3.36Å |
| 612 | Q | 52.9 | Low | 52.2 | Low | 143 Ų | 143 | 111.5 Ų | 111.5 | 67% | 0.668 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112 | -7.7 | -177.6 | -74.6 | -178.1 | -16.6 | 0 | 0 | 114.3 | Q608 N609 L610 G614 | Q608-Q612 WeakPolarHBondContact O-CG 3.25Å; N609-Q612 PolarHBondContact O-N 2.9Å; L610-Q612 VanDerWaalsContact C-N 3.3Å; L610-Q612 PolarHBondContact O-N 3.46Å; Q612-G614 PolarHBondContact O-N 3.36Å |
| 613 | C | 41.3 | Very low | 51.2 | Low | 120 Ų | 120 | 113.8 Ų | 113.8 | 81% | 0.811 | 69% | 0.692 | S | S | * | * | | | trans | -78.2 | 65.7 | 172.3 | -71.4 | 0 | 0 | 0 | 0 | 112.6 | N609 | N609-C613 PolarHBondContact O-N 3.31Š|
| 614 | G | 46.7 | Very low | 49.8 | Very low | 52 Ų | 52 | 116.5 Ų | 116.5 | 54% | 0.536 | 71% | 0.707 | S | S | . | * | | | trans | -152.7 | 124.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q612 | Q612-G614 PolarHBondContact O-N 3.36Š|
| 615 | T | 40.5 | Very low | 48.5 | Very low | 151 Ų | 151 | 116.1 Ų | 116.1 | 93% | 0.926 | 72% | 0.715 | S | S | * | * | | | trans | 69 | 172.6 | -178.7 | 73.5 | 0 | 0 | 0 | 0 | 116 | | |
| 616 | T | 38.2 | Very low | 46.7 | Very low | 133 Ų | 133 | 120 Ų | 120 | 82% | 0.816 | 73% | 0.732 | S | S | * | * | | | trans | -136.3 | 156.1 | -149 | 46.9 | 0 | 0 | 0 | 0 | 115.3 | | |
| 617 | S | 32.8 | Very low | 44.4 | Very low | 113 Ų | 113 | 118.5 Ų | 118.5 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | | | trans | 74.4 | 166.5 | 167.5 | -146.6 | 0 | 0 | 0 | 0 | 116.3 | | |
| 618 | P | 39.3 | Very low | 42.4 | Very low | 106 Ų | 106 | 117.8 Ų | 117.8 | 69% | 0.688 | 75% | 0.752 | S | S | * | * | | | | -120.4 | 176.1 | -50.2 | 30.4 | -14.3 | 0 | 0 | 0 | 112.6 | | |
| 619 | P | 47.4 | Very low | 40.3 | Very low | 126 Ų | 126 | 117.1 Ų | 117.1 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | trans | -93.7 | 138.1 | -177.4 | 34.8 | -33.9 | 0 | 0 | 0 | 115.8 | | |
| 620 | P | 39.6 | Very low | 38.5 | Very low | 119 Ų | 119 | 120.5 Ų | 120.5 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | | | trans | -106.1 | 171 | 162.9 | 36.4 | -27.6 | 0 | 0 | 0 | 113.4 | | |
| 621 | P | 38.8 | Very low | 36.5 | Very low | 128 Ų | 128 | 122.2 Ų | 122.2 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | | | trans | -100.5 | -179.5 | -154.1 | 39.4 | -38.4 | 0 | 0 | 0 | 117.4 | | |
| 622 | I | 33.7 | Very low | 35.1 | Very low | 165 Ų | 165 | 124.6 Ų | 124.6 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | | | trans | -81.6 | 176.7 | 178.4 | -2.1 | 174.9 | 0 | 0 | 0 | 113.3 | | |
| 623 | S | 29.7 | Very low | 33.8 | Very low | 113 Ų | 113 | 124.4 Ų | 124.4 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | | | trans | 88.2 | 149.2 | 175.2 | 87 | 0 | 0 | 0 | 0 | 115.5 | | |
| 624 | S | 29.8 | Very low | 33.3 | Very low | 120 Ų | 120 | 124.9 Ų | 124.9 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | | | cis | -167.6 | 165.7 | -17.6 | 48.3 | 0 | 0 | 0 | 0 | 112 | | |
| 625 | G | 27 | Very low | 32.3 | Very low | 71 Ų | 71 | 127.2 Ų | 127.2 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | | | trans | 146.9 | 148.7 | 157.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 626 | K | 30.6 | Very low | 31.8 | Very low | 223 Ų | 223 | 130.8 Ų | 130.8 | 97% | 0.97 | 78% | 0.781 | S | S | * | * | | | cis | -164.9 | 150.6 | -15.3 | -150.1 | 174.1 | -176.6 | 178.7 | 0 | 110.8 | | |
| 627 | G | 27.2 | Very low | 32 | Very low | 67 Ų | 67 | 129.6 Ų | 129.6 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | | | trans | 121.9 | 116.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 628 | A | 29.4 | Very low | 31.9 | Very low | 104 Ų | 104 | 132.8 Ų | 132.8 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | | | cis | 72.3 | 129.5 | 31.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 629 | S | 25.8 | Very low | 31.6 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | | | cis | -153.2 | 175.4 | 10.6 | -163.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 630 | Q | 27.7 | Very low | 31.1 | Very low | 161 Ų | 161 | 132.8 Ų | 132.8 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | | | trans | 70.4 | 147 | 167.2 | -108 | 155.1 | -60.5 | 0 | 0 | 117.3 | | |
| 631 | E | 27.1 | Very low | 31 | Very low | 157 Ų | 157 | 134.1 Ų | 134.1 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | | | cis | -139.5 | 174 | 7.9 | -163.9 | 145 | -114.3 | 0 | 0 | 113.7 | | |
| 632 | L | 32.1 | Very low | 30.6 | Very low | 138 Ų | 138 | 136.3 Ų | 136.3 | 72% | 0.723 | 78% | 0.775 | S | S | * | * | | | trans | -77.6 | 145.4 | -167 | -62.6 | 145 | 0 | 0 | 0 | 114.8 | | |
| 633 | N | 26.2 | Very low | 30.6 | Very low | 139 Ų | 139 | 139.5 Ų | 139.5 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | | | | 176.9 | 172.4 | 96.5 | -92.5 | -49.1 | 0 | 0 | 0 | 114.4 | | |
| 634 | D | 29.2 | Very low | 30.6 | Very low | 129 Ų | 129 | 141.6 Ų | 141.6 | 69% | 0.69 | 78% | 0.778 | S | S | * | * | | | trans | -24.8 | 139.4 | 179.9 | -67.9 | -71.5 | 0 | 0 | 0 | 119.6 | | |
| 635 | S | 25.8 | Very low | 30.5 | Very low | 101 Ų | 101 | 142.4 Ų | 142.4 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | | | cis | 77.6 | 100.9 | 46.7 | 107.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 636 | R | 31.1 | Very low | 30.7 | Very low | 226 Ų | 226 | 143.7 Ų | 143.7 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | | | | 172.4 | 141.4 | 106.6 | -163.4 | 166 | -169.3 | -174.7 | 2.5 | 111.8 | | |
| 637 | P | 41.9 | Very low | 30.6 | Very low | 109 Ų | 109 | 139.4 Ų | 139.4 | 71% | 0.708 | 76% | 0.761 | S | S | * | * | | | trans | -104.7 | 155 | -178.7 | 38.7 | -33.9 | 0 | 0 | 0 | 114.3 | | |
| 638 | H | 31.4 | Very low | 30.7 | Very low | 180 Ų | 180 | 141 Ų | 141 | 83% | 0.833 | 76% | 0.757 | S | S | * | * | | | trans | -168.5 | 144.6 | 154.3 | -85.9 | -65.9 | 0 | 0 | 0 | 107.6 | | |
| 639 | A | 32.7 | Very low | 30.7 | Very low | 84 Ų | 84 | 142.5 Ų | 142.5 | 69% | 0.694 | 75% | 0.751 | S | S | * | * | | | cis | -140.5 | -128.7 | -12.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 640 | L | 35.5 | Very low | 30.8 | Very low | 147 Ų | 147 | 148.1 Ų | 148.1 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | | | cis | -162.5 | 145.5 | -7.6 | -137.2 | 174.6 | 0 | 0 | 0 | 106.8 | | |
| 641 | L | 37.9 | Very low | 30.8 | Very low | 148 Ų | 148 | 147.5 Ų | 147.5 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | | | trans | 64.8 | 147 | 178.6 | -48.3 | 178.8 | 0 | 0 | 0 | 115.5 | | |
| 642 | E | 30.9 | Very low | 31 | Very low | 174 Ų | 174 | 146.4 Ų | 146.4 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | | | cis | -142 | 162.6 | -12 | -147.4 | 172.2 | 144.9 | 0 | 0 | 109.4 | | |
| 643 | R | 32.9 | Very low | 31.3 | Very low | 231 Ų | 231 | 145.5 Ų | 145.5 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | | | trans | -144.9 | 160.6 | 178.3 | -118.3 | -179.2 | 179.5 | 142 | -1.6 | 109.3 | | |
| 644 | L | 29.9 | Very low | 31.4 | Very low | 158 Ų | 158 | 145 Ų | 145 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | | | trans | 86.2 | 148.9 | -164.5 | -53.2 | 161.4 | 0 | 0 | 0 | 111.2 | | |
| 645 | N | 27.8 | Very low | 31.8 | Very low | 137 Ų | 137 | 143.8 Ų | 143.8 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | | | cis | -139 | 175.3 | 9 | -132.6 | -25.6 | 0 | 0 | 0 | 113.6 | | |
| 646 | T | 32 | Very low | 32 | Very low | 98 Ų | 98 | 146.5 Ų | 146.5 | 60% | 0.601 | 78% | 0.777 | S | S | * | * | | | trans | -78.8 | -175.5 | 169.5 | 60.7 | 0 | 0 | 0 | 0 | 111.6 | V648 | T646-V648 HydrophobicContact CG2-CG2 4.05Š|
| 647 | P | 27.6 | Very low | 32.1 | Very low | 132 Ų | 132 | 140 Ų | 140 | 86% | 0.857 | 77% | 0.766 | S | S | * | * | | | | -125.3 | 136.1 | 98.9 | 35.5 | -32.3 | 0 | 0 | 0 | 113.2 | | |
| 648 | V | 28.8 | Very low | 31.5 | Very low | 101 Ų | 101 | 142 Ų | 142 | 61% | 0.612 | 77% | 0.771 | S | S | * | * | | | trans | -137.8 | 119.5 | 179.9 | 165.7 | 0 | 0 | 0 | 0 | 110.7 | T646 | T646-V648 HydrophobicContact CG2-CG2 4.05Š|
| 649 | N | 29.6 | Very low | 31.5 | Very low | 136 Ų | 136 | 136.5 Ų | 136.5 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | trans | 72.4 | 141 | 155.2 | -73.3 | -27.3 | 0 | 0 | 0 | 122.9 | | |
| 650 | R | 28.4 | Very low | 31.4 | Very low | 225 Ų | 225 | 137.7 Ų | 137.7 | 85% | 0.849 | 77% | 0.773 | S | S | * | * | | | trans | 69 | 109.2 | 141.6 | -75.4 | 171.7 | 172.2 | 163.6 | -3.4 | 120.8 | | |
| 651 | T | 27.9 | Very low | 31.3 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | | | | -146.6 | 124.9 | 120.6 | 35.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 652 | T | 31.4 | Very low | 31 | Very low | 134 Ų | 134 | 133.5 Ų | 133.5 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | | | trans | -77.7 | 157.9 | 148.9 | 10.6 | 0 | 0 | 0 | 0 | 108.2 | | |
| 653 | P | 38.9 | Very low | 30.9 | Very low | 119 Ų | 119 | 130.8 Ų | 130.8 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | cis | -144.2 | -170.6 | 47.2 | 40.1 | -18.8 | 0 | 0 | 0 | 117.1 | | |
| 654 | T | 26.9 | Very low | 30.7 | Very low | 128 Ų | 128 | 124.8 Ų | 124.8 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | | | trans | -54.7 | 174 | 162 | 22.1 | 0 | 0 | 0 | 0 | 114 | | |
| 655 | P | 39.3 | Very low | 30.7 | Very low | 105 Ų | 105 | 123.4 Ų | 123.4 | 68% | 0.682 | 77% | 0.773 | S | S | * | * | | | cis | -145.2 | -179.4 | 24 | 44.4 | -25.1 | 0 | 0 | 0 | 119.1 | | |
| 656 | L | 29 | Very low | 31.4 | Very low | 157 Ų | 157 | 121.5 Ų | 121.5 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | | | trans | 65.2 | 151.3 | 158.3 | -67.1 | 154.6 | 0 | 0 | 0 | 118.5 | | |
| 657 | S | 33.1 | Very low | 31.2 | Very low | 90 Ų | 90 | 126.4 Ų | 126.4 | 63% | 0.629 | 78% | 0.781 | S | S | * | * | | | cis | -143.2 | 157.7 | 3.8 | -127.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 658 | D | 30.5 | Very low | 31.2 | Very low | 150 Ų | 150 | 125.1 Ų | 125.1 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | | | trans | 16.8 | 142.3 | 156.8 | -53.4 | -77.4 | 0 | 0 | 0 | 123.3 | | |
| 659 | G | 31.2 | Very low | 31.2 | Very low | 66 Ų | 66 | 131.9 Ų | 131.9 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | | | cis | 169.7 | 170.5 | -3.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 660 | A | 30.8 | Very low | 31.3 | Very low | 108 Ų | 108 | 134.5 Ų | 134.5 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | | | trans | 52.5 | 143.7 | 163.3 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 661 | S | 32 | Very low | 31.4 | Very low | 131 Ų | 131 | 132.2 Ų | 132.2 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | | | cis | -167.3 | 144 | -22.6 | -172.4 | 0 | 0 | 0 | 0 | 108.3 | | |
| 662 | G | 32.8 | Very low | 31.9 | Very low | 77 Ų | 77 | 130.7 Ų | 130.7 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | | | trans | 174.7 | 100.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 663 | S | 28.3 | Very low | 31.8 | Very low | 117 Ų | 117 | 129.6 Ų | 129.6 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -60.8 | 155.4 | 170.3 | -154.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 664 | S | 28.7 | Very low | 32 | Very low | 105 Ų | 105 | 129.6 Ų | 129.6 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | cis | -159.3 | 178.3 | 2.6 | 6.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 665 | T | 30.3 | Very low | 32.9 | Very low | 129 Ų | 129 | 129.3 Ų | 129.3 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | | | trans | -72 | -175 | 178.2 | 52.9 | 0 | 0 | 0 | 0 | 115.4 | | |
| 666 | P | 41.7 | Very low | 32.8 | Very low | 97 Ų | 97 | 129.5 Ų | 129.5 | 63% | 0.63 | 79% | 0.788 | S | S | * | * | | | cis | -131.8 | 163.5 | -25.1 | 21.4 | 0.8 | 0 | 0 | 0 | 115 | | |
| 667 | F | 27.8 | Very low | 33.8 | Very low | 200 Ų | 200 | 127.7 Ų | 127.7 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | | | | 172.3 | 147.7 | 112 | -106.6 | -81.1 | 0 | 0 | 0 | 115.4 | | |
| 668 | S | 27.4 | Very low | 34.6 | Very low | 105 Ų | 105 | 131.7 Ų | 131.7 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | trans | -20.9 | 131.3 | 173.5 | -170.6 | 0 | 0 | 0 | 0 | 121.4 | | |
| 669 | R | 30 | Very low | 35.5 | Very low | 244 Ų | 244 | 130.5 Ų | 130.5 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | | | | -161.2 | 162.9 | 110.2 | -136.4 | 175.6 | -176.3 | 164.7 | 2.9 | 112.9 | | |
| 670 | K | 30.8 | Very low | 36.7 | Very low | 190 Ų | 190 | 134.9 Ų | 134.9 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | | | trans | -139.9 | 166.3 | 172.6 | -160.4 | -176.7 | 178.8 | -172 | 0 | 109.7 | | |
| 671 | E | 31.7 | Very low | 37.8 | Very low | 177 Ų | 177 | 133.7 Ų | 133.7 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | | | trans | 83.4 | 153.8 | 167.9 | -67.8 | -146.3 | 85.9 | 0 | 0 | 119 | | |
| 672 | P | 38.2 | Very low | 38.9 | Very low | 115 Ų | 115 | 132.5 Ų | 132.5 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | | | trans | -113.7 | 171.9 | -145.2 | 41.2 | -31.8 | 0 | 0 | 0 | 115.6 | | |
| 673 | S | 28.7 | Very low | 39.7 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | | | trans | -110.4 | 130 | -170.1 | 56.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 674 | P | 43.6 | Very low | 41.1 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 170.9 | 155.9 | 34.1 | -32 | 0 | 0 | 0 | 111.7 | | |
| 675 | P | 44.5 | Very low | 42.5 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 80% | 0.799 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 163.2 | -152.8 | 33.1 | -37.1 | 0 | 0 | 0 | 117.1 | | |
| 676 | S | 38.3 | Very low | 43.8 | Very low | 108 Ų | 108 | 138.4 Ų | 138.4 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 128.3 | -178.6 | 54.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 677 | S | 48.7 | Very low | 44.7 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 84% | 0.839 | 71% | 0.707 | S | S | * | * | | | trans | -148.5 | 32.3 | 175.3 | -50.8 | 0 | 0 | 0 | 0 | 114.5 | | |
| 678 | Q | 49.7 | Very low | 46 | Very low | 174 Ų | 174 | 132.3 Ų | 132.3 | 81% | 0.813 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -133.6 | -9 | -175.4 | -156.8 | 172.5 | 7.1 | 0 | 0 | 115.5 | | |
| 679 | I | 50.8 | Low | 47.1 | Very low | 125 Ų | 125 | 132.8 Ų | 132.8 | 64% | 0.641 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -87.5 | -38.6 | -176.3 | -66.7 | 173.1 | 0 | 0 | 0 | 112 | N681 L682 L683 | I679-N681 PolarHBondContact O-N 3.36Å; I679-L682 WeakPolarHBondContact O-CB 3.41Å; I679-L682 PolarHBondContact O-N 2.73Å; I679-L683 HydrophobicContact CG2-CD1 4.49Å; I679-L683 PolarHBondContact O-N 3.07Å |
| 680 | E | 55.6 | Low | 48.5 | Very low | 158 Ų | 158 | 128.3 Ų | 128.3 | 74% | 0.738 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -59.4 | -48.6 | -175.1 | -168.8 | 161.3 | -146.1 | 0 | 0 | 112.2 | L682 L683 E684 | E680-L682 PolarHBondContact O-N 2.87Å; E680-L683 WeakPolarHBondContact O-CB 3.49Å; E680-L683 PolarHBondContact O-N 3.41Å; E680-E684 PolarHBondContact O-N 2.85Å |
| 681 | N | 54.7 | Low | 49.7 | Very low | 83 Ų | 83 | 126 Ų | 126 | 44% | 0.444 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -70.7 | -1.2 | 177.9 | -168.7 | -107.2 | 0 | 0 | 0 | 114.5 | I679 E684 R685 | I679-N681 PolarHBondContact O-N 3.36Å; N681-E684 WeakPolarHBondContact CA-OE2 3.34Å; N681-E684 PolarHBondContact ND2-OE2 2.88Å; N681-R685 PolarHBondContact O-NE 2.84Å; N681-R685 PolarHBondContact O-NH2 2.91Å; N681-R685 PolarHBondContact OD1-NH2 2.85Å |
| 682 | L | 53.9 | Low | 50.8 | Low | 106 Ų | 106 | 124.3 Ų | 124.3 | 56% | 0.555 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -94.1 | -26.8 | 168.3 | -148 | 76.5 | 0 | 0 | 0 | 112 | I679 E680 R686 | I679-L682 WeakPolarHBondContact O-CB 3.41Å; I679-L682 PolarHBondContact O-N 2.73Å; E680-L682 PolarHBondContact O-N 2.87Å; L682-R686 PolarHBondContact O-N 3.46Å |
| 683 | L | 50.2 | Low | 51.6 | Low | 106 Ų | 106 | 125 Ų | 125 | 56% | 0.555 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -75.1 | -42 | 175.5 | -65.5 | 172.1 | 0 | 0 | 0 | 111.1 | I679 E680 R685 R686 T687 | I679-L683 HydrophobicContact CG2-CD1 4.49Å; I679-L683 PolarHBondContact O-N 3.07Å; E680-L683 WeakPolarHBondContact O-CB 3.49Å; E680-L683 PolarHBondContact O-N 3.41Å; L683-R685 PolarHBondContact O-N 2.93Å; L683-R686 PolarHBondContact O-N 3.35Å; L683-T687 PolarHBondContact O-N 2.84Å; L683-T687 PolarHBondContact O-OG1 2.91Å |
| 684 | E | 58.3 | Low | 52 | Low | 106 Ų | 106 | 123 Ų | 123 | 50% | 0.495 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -54.2 | -40.2 | 172.2 | -64.4 | -178.7 | 116.6 | 0 | 0 | 112.4 | E680 N681 T687 V688 | E680-E684 PolarHBondContact O-N 2.85Å; N681-E684 WeakPolarHBondContact CA-OE2 3.34Å; N681-E684 PolarHBondContact ND2-OE2 2.88Å; E684-T687 PolarHBondContact O-OG1 3.5Å; E684-V688 WeakPolarHBondContact O-CG2 3.38Å; E684-V688 PolarHBondContact O-N 3.3Å |
| 685 | R | 58.3 | Low | 52.1 | Low | 149 Ų | 149 | 124 Ų | 124 | 56% | 0.562 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -77.6 | -18.8 | 179.8 | -76.6 | -178 | -78.9 | 177.5 | -6.7 | 113.7 | N681 L683 | N681-R685 PolarHBondContact O-NE 2.84Å; N681-R685 PolarHBondContact O-NH2 2.91Å; N681-R685 PolarHBondContact OD1-NH2 2.85Å; L683-R685 PolarHBondContact O-N 2.93Å |
| 686 | R | 56.8 | Low | 51.6 | Low | 190 Ų | 190 | 121.8 Ų | 121.8 | 72% | 0.717 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -82.6 | -37.4 | 173.2 | -127.3 | 172.5 | -175.4 | 150.9 | 1.1 | 111.7 | L682 L683 Q690 | L682-R686 PolarHBondContact O-N 3.46Å; L683-R686 PolarHBondContact O-N 3.35Å; R686-Q690 PolarHBondContact O-N 2.82Å |
| 687 | T | 60 | Low | 51.4 | Low | 74 Ų | 74 | 121.8 Ų | 121.8 | 45% | 0.454 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -71.6 | -36.3 | 178.4 | 50 | 0 | 0 | 0 | 0 | 113.1 | L683 E684 L689 Q690 L691 | L683-T687 PolarHBondContact O-N 2.84Å; L683-T687 PolarHBondContact O-OG1 2.91Å; E684-T687 PolarHBondContact O-OG1 3.5Å; T687-L689 VanDerWaalsContact C-N 3.34Å; T687-L689 PolarHBondContact O-N 3.41Å; T687-Q690 PolarHBondContact O-N 2.86Å; T687-Q690 VanDerWaalsContact O-N 3.08Å; T687-L691 WeakPolarHBondContact O-CG 3.28Å; T687-L691 PolarHBondContact O-N 3.47Å |
| 688 | V | 55.8 | Low | 50.8 | Low | 95 Ų | 95 | 122.1 Ų | 122.1 | 58% | 0.576 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -59.1 | -40.2 | 177.6 | 167.1 | 0 | 0 | 0 | 0 | 112.9 | E684 L692 | E684-V688 WeakPolarHBondContact O-CG2 3.38Å; E684-V688 PolarHBondContact O-N 3.3Å; V688-L692 PolarHBondContact O-N 3.11Å |
| 689 | L | 50.8 | Low | 50.2 | Low | 116 Ų | 116 | 117.9 Ų | 117.9 | 61% | 0.607 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -71.4 | -31.2 | 175.6 | -71.7 | 173.2 | 0 | 0 | 0 | 112.5 | T687 L692 L693 | T687-L689 VanDerWaalsContact C-N 3.34Å; T687-L689 PolarHBondContact O-N 3.41Å; L689-L692 PolarHBondContact O-N 2.63Å; L689-L693 PolarHBondContact O-N 3.48Å |
| 690 | Q | 58.4 | Low | 49.3 | Very low | 150 Ų | 150 | 116.9 Ų | 116.9 | 70% | 0.701 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -76.5 | -26.1 | 178.5 | -152.7 | 161.9 | 13.7 | 0 | 0 | 112.5 | R686 T687 | R686-Q690 PolarHBondContact O-N 2.82Å; T687-Q690 PolarHBondContact O-N 2.86Å; T687-Q690 VanDerWaalsContact O-N 3.08Å |
| 691 | L | 57.5 | Low | 48.4 | Very low | 141 Ų | 141 | 116 Ų | 116 | 74% | 0.738 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -71.8 | -27.9 | 168.4 | -77.3 | 162.2 | 0 | 0 | 0 | 113 | T687 | T687-L691 WeakPolarHBondContact O-CG 3.28Å; T687-L691 PolarHBondContact O-N 3.47Å |
| 692 | L | 54.7 | Low | 47.5 | Very low | 141 Ų | 141 | 117.1 Ų | 117.1 | 74% | 0.738 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -81.2 | -22.3 | -179.3 | -157.5 | 70.4 | 0 | 0 | 0 | 113 | V688 L689 | V688-L692 PolarHBondContact O-N 3.11Å; L689-L692 PolarHBondContact O-N 2.63Å |
| 693 | L | 54.3 | Low | 46.3 | Very low | 129 Ų | 129 | 116 Ų | 116 | 68% | 0.675 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -108.8 | 59 | 176.4 | -80.9 | 71.7 | 0 | 0 | 0 | 110.3 | L689 T695 | L689-L693 PolarHBondContact O-N 3.48Å; L693-T695 PolarHBondContact O-N 3.2Å |
| 694 | G | 37.2 | Very low | 45.6 | Very low | 71 Ų | 71 | 122.3 Ų | 122.3 | 73% | 0.732 | 73% | 0.733 | S | S | * | * | | | trans | -60.4 | 107.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 695 | T | 44.9 | Very low | 44.6 | Very low | 138 Ų | 138 | 124.7 Ų | 124.7 | 85% | 0.847 | 74% | 0.742 | S | S | * | * | | | trans | -112.9 | 141.1 | 162.1 | 55.2 | 0 | 0 | 0 | 0 | 109.3 | L693 | L693-T695 PolarHBondContact O-N 3.2Š|
| 696 | G | 35.8 | Very low | 43.1 | Very low | 78 Ų | 78 | 125.2 Ų | 125.2 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | | | trans | -98.2 | -159.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 697 | S | 33.9 | Very low | 42.6 | Very low | 107 Ų | 107 | 127.4 Ų | 127.4 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | | | trans | 90.6 | 120 | 171.4 | -147.1 | 0 | 0 | 0 | 0 | 118 | | |
| 698 | T | 36.3 | Very low | 41.9 | Very low | 128 Ų | 128 | 129 Ų | 129 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | | | trans | 38.1 | 105.3 | 139.4 | 59.2 | 0 | 0 | 0 | 0 | 119.3 | | |
| 699 | G | 36.6 | Very low | 40.4 | Very low | 84 Ų | 84 | 130.2 Ų | 130.2 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | | | trans | -88.5 | -178.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 700 | A | 32.5 | Very low | 39.4 | Very low | 104 Ų | 104 | 128.1 Ų | 128.1 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | | | trans | -140.6 | 143.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 701 | T | 34.8 | Very low | 37.8 | Very low | 139 Ų | 139 | 127.3 Ų | 127.3 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | | | trans | -44 | 149 | -179.2 | 48 | 0 | 0 | 0 | 0 | 118.1 | | |
| 702 | A | 36.8 | Very low | 36.5 | Very low | 107 Ų | 107 | 123.7 Ų | 123.7 | 88% | 0.884 | 80% | 0.797 | S | S | * | * | | | trans | -72.3 | 151.1 | 158 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 703 | G | 28.7 | Very low | 35.3 | Very low | 83 Ų | 83 | 126.2 Ų | 126.2 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | | | trans | -155.5 | 149.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 704 | R | 34.7 | Very low | 34.2 | Very low | 239 Ų | 239 | 122.9 Ų | 122.9 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | | | trans | -130.1 | 132.7 | -166.7 | -153.6 | -176.4 | -159.3 | -101.3 | 6.1 | 112.2 | | |
| 705 | K | 37.4 | Very low | 33.8 | Very low | 156 Ų | 156 | 126.3 Ų | 126.3 | 68% | 0.678 | 81% | 0.809 | S | S | * | * | | | trans | 62.3 | 100.9 | 154.3 | -175.5 | -121.3 | -178.3 | -153.5 | 0 | 118 | | |
| 706 | E | 27.7 | Very low | 33 | Very low | 159 Ų | 159 | 123.2 Ų | 123.2 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | | | | -164.6 | 178.4 | 118 | -116.6 | 159.1 | -148.1 | 0 | 0 | 115.4 | | |
| 707 | R | 46.4 | Very low | 32.7 | Very low | 237 Ų | 237 | 127.5 Ų | 127.5 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | | | trans | -160.5 | 165.9 | -173.9 | -98.5 | -173.2 | -179.6 | 172.4 | -0.2 | 106.8 | | |
| 708 | P | 44 | Very low | 32.6 | Very low | 106 Ų | 106 | 128.3 Ų | 128.3 | 69% | 0.688 | 79% | 0.79 | S | S | * | * | | | cis | -138.5 | -170.5 | 9.8 | 42.3 | -23.8 | 0 | 0 | 0 | 116.1 | | |
| 709 | S | 26.2 | Very low | 32.3 | Very low | 121 Ų | 121 | 131 Ų | 131 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | | | trans | 78.9 | 151 | 146.2 | -64.1 | 0 | 0 | 0 | 0 | 122.7 | | |
| 710 | G | 28.9 | Very low | 31.8 | Very low | 73 Ų | 73 | 130.6 Ų | 130.6 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | | | trans | 95.2 | 101.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 711 | S | 25.1 | Very low | 31.6 | Very low | 132 Ų | 132 | 129.1 Ų | 129.1 | 92% | 0.923 | 79% | 0.785 | S | S | * | * | | | cis | 83.9 | 122.9 | 27.9 | -157 | 0 | 0 | 0 | 0 | 115.2 | | |
| 712 | G | 29.5 | Very low | 31.2 | Very low | 65 Ų | 65 | 127.5 Ų | 127.5 | 67% | 0.67 | 78% | 0.778 | S | S | * | * | | | trans | 125.6 | 97.5 | -170.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 713 | H | 29.9 | Very low | 30.9 | Very low | 195 Ų | 195 | 131.7 Ų | 131.7 | 90% | 0.903 | 78% | 0.776 | S | S | * | * | | | | 44.9 | 119.7 | 68.2 | -80.7 | -96.4 | 0 | 0 | 0 | 113.4 | | |
| 714 | G | 31.4 | Very low | 31 | Very low | 59 Ų | 59 | 134.3 Ų | 134.3 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | | | cis | 157 | 177.2 | -6.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 715 | T | 28.4 | Very low | 31.1 | Very low | 143 Ų | 143 | 132.7 Ų | 132.7 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | | | trans | 58.3 | 157.8 | 161.6 | 50 | 0 | 0 | 0 | 0 | 119 | | |
| 716 | A | 28.8 | Very low | 31.5 | Very low | 72 Ų | 72 | 131.1 Ų | 131.1 | 60% | 0.595 | 77% | 0.769 | S | S | * | * | | | cis | -177.3 | -179.8 | -30.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 717 | E | 29.5 | Very low | 31.8 | Very low | 168 Ų | 168 | 128.9 Ų | 128.9 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | | | trans | 69.3 | 154.6 | 158.4 | -54.2 | -85.4 | 101.6 | 0 | 0 | 115.2 | | |
| 718 | M | 31.6 | Very low | 31.1 | Very low | 125 Ų | 125 | 124 Ų | 124 | 62% | 0.616 | 76% | 0.764 | S | S | * | * | | | cis | -167.2 | 157.1 | -13.5 | 166.9 | 70.6 | 92.1 | 0 | 0 | 108.8 | | |
| 719 | E | 28.4 | Very low | 30.6 | Very low | 183 Ų | 183 | 122.9 Ų | 122.9 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | | | trans | 60.3 | 165 | 163.2 | -82.4 | 163.4 | 137.6 | 0 | 0 | 119.6 | | |
| 720 | G | 27.7 | Very low | 30.8 | Very low | 77 Ų | 77 | 122.2 Ų | 122.2 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | | | cis | 171.3 | 153.8 | -6.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 721 | G | 28.4 | Very low | 31.1 | Very low | 73 Ų | 73 | 125.5 Ų | 125.5 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | | | trans | 133.8 | 100.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 722 | C | 26.4 | Very low | 31.4 | Very low | 105 Ų | 105 | 126.4 Ų | 126.4 | 71% | 0.709 | 75% | 0.752 | S | S | * | * | | | cis | 61.1 | 121.6 | 34.3 | -74 | 0 | 0 | 0 | 0 | 112.8 | | |
| 723 | F | 29 | Very low | 31.6 | Very low | 195 Ų | 195 | 127.9 Ų | 127.9 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | | | cis | -129 | -170.1 | -0.4 | -82.3 | -77.5 | 0 | 0 | 0 | 109 | | |
| 724 | E | 31.6 | Very low | 31.8 | Very low | 138 Ų | 138 | 124.7 Ų | 124.7 | 65% | 0.645 | 74% | 0.741 | S | S | * | * | | | cis | -168.9 | 168.8 | 32.2 | -151 | -164.9 | 136.6 | 0 | 0 | 111.6 | | |
| 725 | R | 37.5 | Very low | 32 | Very low | 205 Ų | 205 | 126.2 Ų | 126.2 | 77% | 0.774 | 74% | 0.742 | S | S | * | * | | | trans | 64 | 99.1 | 164.2 | -58.3 | -176.1 | -170.2 | 173.6 | 12.5 | 119.4 | | |
| 726 | S | 44.7 | Very low | 32.4 | Very low | 122 Ų | 122 | 123.6 Ų | 123.6 | 85% | 0.853 | 73% | 0.73 | S | S | * | * | | | trans | -99.7 | 148 | 135.1 | -65.3 | 0 | 0 | 0 | 0 | 109 | | |
| 727 | P | 33.8 | Very low | 32.5 | Very low | 112 Ų | 112 | 128 Ų | 128 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | | | | -148 | 134.8 | 114.1 | 36 | -19.5 | 0 | 0 | 0 | 116.5 | | |
| 728 | T | 32.8 | Very low | 32.5 | Very low | 134 Ų | 134 | 123.3 Ų | 123.3 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | | | | 56.2 | 124.9 | 117.3 | -45.7 | 0 | 0 | 0 | 0 | 123.2 | | |
| 729 | A | 33.7 | Very low | 32.5 | Very low | 83 Ų | 83 | 123.3 Ų | 123.3 | 69% | 0.686 | 75% | 0.753 | S | S | * | * | | | trans | 67.9 | 165.2 | 151.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 730 | S | 28.8 | Very low | 33.4 | Very low | 108 Ų | 108 | 119.5 Ų | 119.5 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | | | cis | -69.3 | 137.4 | 14.5 | 2 | 0 | 0 | 0 | 0 | 116 | | |
| 731 | I | 35.2 | Very low | 34 | Very low | 141 Ų | 141 | 124 Ų | 124 | 72% | 0.723 | 75% | 0.749 | S | S | * | * | | | | 66.3 | 117.1 | 73.7 | -59.3 | 163.6 | 0 | 0 | 0 | 111.6 | | |
| 732 | L | 32.4 | Very low | 34 | Very low | 151 Ų | 151 | 127.6 Ų | 127.6 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | | | cis | -166.3 | -176.9 | -11.3 | -139.9 | 66.5 | 0 | 0 | 0 | 106.1 | | |
| 733 | C | 34.1 | Very low | 34.2 | Very low | 97 Ų | 97 | 128 Ų | 128 | 66% | 0.655 | 75% | 0.75 | S | S | * | * | | | cis | -159.2 | -172.2 | 2.8 | -147.1 | 0 | 0 | 0 | 0 | 105.9 | | |
| 734 | D | 34.2 | Very low | 34.4 | Very low | 128 Ų | 128 | 128.3 Ų | 128.3 | 68% | 0.684 | 75% | 0.751 | S | S | * | * | | | cis | -157.4 | -178.2 | -0.6 | -166.3 | 21.9 | 0 | 0 | 0 | 110.6 | | |
| 735 | S | 34.8 | Very low | 34.4 | Very low | 90 Ų | 90 | 128.5 Ų | 128.5 | 63% | 0.629 | 76% | 0.755 | S | S | * | * | | | trans | 18.6 | 140 | 145.8 | -68.2 | 0 | 0 | 0 | 0 | 122.4 | | |
| 736 | S | 36.1 | Very low | 33.9 | Very low | 89 Ų | 89 | 127.3 Ų | 127.3 | 62% | 0.622 | 76% | 0.755 | S | S | * | * | | | cis | -169.2 | 157.6 | -8.8 | 63.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 737 | N | 31.5 | Very low | 33.2 | Very low | 163 Ų | 163 | 125.5 Ų | 125.5 | 87% | 0.872 | 74% | 0.743 | S | S | * | * | | | trans | 50.3 | 134 | 153.9 | -52.9 | -28.4 | 0 | 0 | 0 | 120.2 | | |
| 738 | G | 29.9 | Very low | 32.7 | Very low | 71 Ų | 71 | 128.5 Ų | 128.5 | 73% | 0.732 | 75% | 0.747 | S | S | * | * | | | cis | 153.5 | 170 | -3.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 739 | S | 30.9 | Very low | 32.7 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 87% | 0.874 | 75% | 0.749 | S | S | * | * | | | trans | 75.6 | 150.6 | 165.9 | -150 | 0 | 0 | 0 | 0 | 119.6 | | |
| 740 | P | 48.8 | Very low | 32.5 | Very low | 103 Ų | 103 | 130.1 Ų | 130.1 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | | | trans | -126.1 | 177.2 | -174.5 | 44.3 | -31.4 | 0 | 0 | 0 | 116.5 | | |
| 741 | L | 40.2 | Very low | 32.5 | Very low | 170 Ų | 170 | 133.2 Ų | 133.2 | 89% | 0.89 | 74% | 0.744 | S | S | * | * | | | trans | 73.2 | 155.7 | 152.7 | -83.1 | 164.5 | 0 | 0 | 0 | 121.9 | | |
| 742 | D | 28.3 | Very low | 32.4 | Very low | 150 Ų | 150 | 133.8 Ų | 133.8 | 80% | 0.802 | 75% | 0.748 | S | S | * | * | | | trans | 86.6 | 165.5 | 157 | -154 | 28.7 | 0 | 0 | 0 | 121.2 | | |
| 743 | V | 30.3 | Very low | 32.1 | Very low | 113 Ų | 113 | 132.6 Ų | 132.6 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | | | trans | 96.2 | 112.2 | 167.5 | -167.1 | 0 | 0 | 0 | 0 | 118 | I745 | V743-I745 HydrophobicContact CG1-CD1 4.36Å; V743-I745 HydrophobicContact CG1-CG1 4.06Å |
| 744 | K | 33.6 | Very low | 31.9 | Very low | 201 Ų | 201 | 131.3 Ų | 131.3 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | | | trans | -94.8 | 125.5 | 175.4 | 156.3 | -163.2 | 171.4 | -173.9 | 0 | 110.7 | | |
| 745 | I | 30.9 | Very low | 31.5 | Very low | 143 Ų | 143 | 129.9 Ų | 129.9 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | | | trans | -138.5 | 115 | 168.9 | -39.1 | -177 | 0 | 0 | 0 | 106.3 | V743 | V743-I745 HydrophobicContact CG1-CD1 4.36Å; V743-I745 HydrophobicContact CG1-CG1 4.06Å |
| 746 | K | 26.9 | Very low | 30.9 | Very low | 180 Ų | 180 | 131 Ų | 131 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | | | | 52.4 | 105.7 | 84 | -94.2 | -157.7 | 167.7 | -162.9 | 0 | 112.2 | | |
| 747 | S | 30.3 | Very low | 30.3 | Very low | 84 Ų | 84 | 134 Ų | 134 | 59% | 0.587 | 77% | 0.767 | S | S | * | * | | | | 86.7 | 122.5 | 73.6 | 70.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 748 | E | 23.6 | Very low | 30 | Very low | 175 Ų | 175 | 131.6 Ų | 131.6 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | trans | 70.4 | 114.3 | 134.8 | -168.6 | 169 | -117 | 0 | 0 | 119.4 | | |
| 749 | L | 32.3 | Very low | 29.9 | Very low | 163 Ų | 163 | 137.3 Ų | 137.3 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | | | | -148 | 124.5 | 128.8 | -159.7 | 66.1 | 0 | 0 | 0 | 112.1 | | |
| 750 | T | 29.7 | Very low | 29.8 | Very low | 87 Ų | 87 | 135.3 Ų | 135.3 | 53% | 0.534 | 75% | 0.749 | S | S | . | * | | | trans | -39.7 | 140.1 | 159.8 | 23.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 751 | E | 28.8 | Very low | 28.7 | Very low | 173 Ų | 173 | 137.3 Ų | 137.3 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | | | | 67.3 | 109.1 | 82.7 | -63.9 | -168.9 | 136.2 | 0 | 0 | 116.2 | | |
| 752 | D | 32.2 | Very low | 28 | Very low | 153 Ų | 153 | 136.1 Ų | 136.1 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | | | trans | -162.2 | 126.5 | 136.1 | -106.8 | -26.3 | 0 | 0 | 0 | 105.2 | | |
| 753 | V | 26.4 | Very low | 28.2 | Very low | 126 Ų | 126 | 136.1 Ų | 136.1 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | | | | 66.6 | 123.7 | 62.1 | -174.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 754 | G | 29.9 | Very low | 28 | Very low | 71 Ų | 71 | 136.4 Ų | 136.4 | 73% | 0.732 | 75% | 0.75 | S | S | * | * | | | trans | 144.2 | 54.5 | -163.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 755 | S | 25.5 | Very low | 27.9 | Very low | 97 Ų | 97 | 129.8 Ų | 129.8 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | | | | 56.9 | 86.7 | 69.3 | -67 | 0 | 0 | 0 | 0 | 114.1 | | |
| 756 | S | 22.3 | Very low | 27.9 | Very low | 113 Ų | 113 | 132.5 Ų | 132.5 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | | | | 77.6 | 142.4 | 129.2 | -53.2 | 0 | 0 | 0 | 0 | 121.8 | | |
| 757 | L | 24.2 | Very low | 28.2 | Very low | 154 Ų | 154 | 133 Ų | 133 | 81% | 0.806 | 75% | 0.747 | S | S | * | * | | | trans | 85.8 | 153.3 | 138.6 | -152.9 | 68.6 | 0 | 0 | 0 | 119.4 | | |
| 758 | T | 25.9 | Very low | 28.1 | Very low | 111 Ų | 111 | 140.1 Ų | 140.1 | 68% | 0.681 | 76% | 0.761 | S | S | * | * | | | trans | 73 | 146.1 | 170.6 | 79.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 759 | K | 27.3 | Very low | 28.4 | Very low | 191 Ų | 191 | 139.3 Ų | 139.3 | 83% | 0.83 | 76% | 0.762 | S | S | * | * | | | cis | 173.8 | 176.6 | -2.9 | -110.4 | 177.9 | -176 | -177.2 | 0 | 103.1 | | |
| 760 | S | 28.7 | Very low | 28 | Very low | 84 Ų | 84 | 135.6 Ų | 135.6 | 59% | 0.587 | 75% | 0.749 | S | S | * | * | | | cis | -160.8 | 172 | -1.5 | 145.8 | 0 | 0 | 0 | 0 | 107.7 | | |
| 761 | E | 25.5 | Very low | 27.9 | Very low | 145 Ų | 145 | 136.1 Ų | 136.1 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | | | trans | -1.8 | 133 | 159.8 | -72.9 | 105.9 | 127.8 | 0 | 0 | 119.5 | | |
| 762 | D | 25.5 | Very low | 28 | Very low | 145 Ų | 145 | 137.6 Ų | 137.6 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | | | | 58.6 | 129.8 | 76.4 | -87.3 | -48.5 | 0 | 0 | 0 | 114.6 | | |
| 763 | L | 32.3 | Very low | 27.8 | Very low | 150 Ų | 150 | 133.4 Ų | 133.4 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | | | | 166.8 | 129.9 | 108.1 | -87.6 | -179.3 | 0 | 0 | 0 | 114.8 | | |
| 764 | S | 27.1 | Very low | 28 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | | | trans | 69.8 | 158.9 | 149.3 | 80.1 | 0 | 0 | 0 | 0 | 119.3 | | |
| 765 | G | 30.1 | Very low | 28.1 | Very low | 62 Ų | 62 | 140.1 Ų | 140.1 | 64% | 0.639 | 76% | 0.756 | S | S | * | * | | | cis | -106 | 165.8 | -4.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 766 | K | 32.1 | Very low | 28.2 | Very low | 200 Ų | 200 | 140.2 Ų | 140.2 | 87% | 0.87 | 76% | 0.756 | S | S | * | * | | | | 53.5 | 122 | 56.3 | -73.8 | 176.9 | 176.8 | 169.1 | 0 | 111.2 | | |
| 767 | K | 32.4 | Very low | 28.9 | Very low | 189 Ų | 189 | 140.3 Ų | 140.3 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | | | cis | -136.7 | 151.4 | 14.8 | -55.5 | 167.7 | -173.1 | 168.2 | 0 | 108.3 | | |
| 768 | R | 27.8 | Very low | 29 | Very low | 235 Ų | 235 | 139.4 Ų | 139.4 | 89% | 0.887 | 75% | 0.75 | S | S | * | * | | | | 59 | 140.7 | 58.2 | -96.5 | -158.1 | -161.9 | -171.6 | 8.9 | 114.9 | | |
| 769 | L | 29.5 | Very low | 29.1 | Very low | 158 Ų | 158 | 142.1 Ų | 142.1 | 83% | 0.827 | 75% | 0.753 | S | S | * | * | | | trans | 76.8 | 148.2 | 166.4 | -61.4 | 157.5 | 0 | 0 | 0 | 115.9 | | |
| 770 | S | 25.1 | Very low | 29.1 | Very low | 85 Ų | 85 | 139.6 Ų | 139.6 | 59% | 0.594 | 75% | 0.748 | S | S | * | * | | | cis | -171.9 | 168.2 | -19.3 | -171.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 771 | S | 27.6 | Very low | 29 | Very low | 98 Ų | 98 | 139.8 Ų | 139.8 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | | | trans | 74.1 | 157.9 | 146.4 | -64.2 | 0 | 0 | 0 | 0 | 119.3 | | |
| 772 | Y | 30.3 | Very low | 29.1 | Very low | 204 Ų | 204 | 140.1 Ų | 140.1 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | | | cis | -170.5 | 147 | -41.6 | -125.1 | -68.8 | 0 | 0 | 0 | 107.4 | K774 | Y772-K774 HydrophobicContact CD1-CG 4.26Š|
| 773 | G | 28.7 | Very low | 29.3 | Very low | 65 Ų | 65 | 140 Ų | 140 | 67% | 0.67 | 75% | 0.746 | S | S | * | * | | | trans | 152.5 | 78 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 774 | K | 31.2 | Very low | 29 | Very low | 169 Ų | 169 | 138.4 Ų | 138.4 | 74% | 0.735 | 74% | 0.738 | S | S | * | * | | | | 46.8 | 105.3 | 77.5 | -65 | -171.7 | 174.9 | -174.8 | 0 | 112.6 | Y772 | Y772-K774 HydrophobicContact CD1-CG 4.26Š|
| 775 | N | 30.3 | Very low | 29.2 | Very low | 168 Ų | 168 | 139.7 Ų | 139.7 | 90% | 0.898 | 74% | 0.735 | S | S | * | * | | | | -163.4 | 147.1 | 98.6 | -85.3 | -21.2 | 0 | 0 | 0 | 111.8 | | |
| 776 | S | 28.9 | Very low | 29.3 | Very low | 99 Ų | 99 | 146 Ų | 146 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | | | trans | -147.2 | 141.9 | 169 | 172.3 | 0 | 0 | 0 | 0 | 106.2 | | |
| 777 | P | 36.6 | Very low | 29.2 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | | | | -123.4 | 157.2 | 112.3 | -1.5 | 23.2 | 0 | 0 | 0 | 113.1 | | |
| 778 | L | 26.8 | Very low | 29 | Very low | 134 Ų | 134 | 139.8 Ų | 139.8 | 70% | 0.702 | 73% | 0.731 | S | S | * | * | | | cis | 71.4 | 135.7 | 49.4 | -119.3 | 59.1 | 0 | 0 | 0 | 111.7 | | |
| 779 | F | 27.8 | Very low | 29.6 | Very low | 169 Ų | 169 | 134.4 Ų | 134.4 | 74% | 0.741 | 73% | 0.727 | S | S | * | * | | | cis | -128.3 | 155.4 | 12.2 | -89.8 | -98.1 | 0 | 0 | 0 | 109.9 | | |
| 780 | D | 26.5 | Very low | 29.7 | Very low | 137 Ų | 137 | 135.9 Ų | 135.9 | 73% | 0.733 | 72% | 0.721 | S | S | * | * | | | | 73.5 | 151.4 | 68.9 | -137.7 | 22.5 | 0 | 0 | 0 | 113.1 | | |
| 781 | S | 27.4 | Very low | 30.4 | Very low | 89 Ų | 89 | 137.8 Ų | 137.8 | 62% | 0.622 | 73% | 0.732 | S | S | * | * | | | cis | -154.1 | -174.6 | 15 | 70.9 | 0 | 0 | 0 | 0 | 115.9 | | |
| 782 | Q | 27.8 | Very low | 30.6 | Very low | 151 Ų | 151 | 136.5 Ų | 136.5 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | | | trans | -23.8 | 165.9 | 165.6 | -52.4 | 173.5 | -71.5 | 0 | 0 | 118.6 | | |
| 783 | Q | 28.5 | Very low | 31 | Very low | 144 Ų | 144 | 135.1 Ų | 135.1 | 67% | 0.673 | 73% | 0.727 | S | S | * | * | | | cis | -153.3 | -155.9 | 0.5 | -133.8 | 153.9 | -123.1 | 0 | 0 | 108.5 | | |
| 784 | D | 26.1 | Very low | 31.3 | Very low | 116 Ų | 116 | 141 Ų | 141 | 62% | 0.62 | 74% | 0.735 | S | S | * | * | | | cis | -157 | -178.9 | 8.1 | -139.2 | -55.1 | 0 | 0 | 0 | 113.8 | | |
| 785 | L | 31.8 | Very low | 31.8 | Very low | 146 Ų | 146 | 140.5 Ų | 140.5 | 76% | 0.764 | 74% | 0.739 | S | S | * | * | | | trans | -57.5 | 139.7 | 170.3 | -65.9 | 153.4 | 0 | 0 | 0 | 115.2 | | |
| 786 | K | 32.1 | Very low | 32.8 | Very low | 194 Ų | 194 | 136.3 Ų | 136.3 | 84% | 0.843 | 73% | 0.727 | S | S | * | * | | | | 172.5 | 133.8 | 113.9 | -94.4 | 168.8 | -177.4 | 175.3 | 0 | 116.7 | | |
| 787 | T | 31 | Very low | 33.6 | Very low | 134 Ų | 134 | 140 Ų | 140 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | | | trans | 30.6 | 135.7 | 139.1 | -28.4 | 0 | 0 | 0 | 0 | 123.7 | | |
| 788 | E | 27.8 | Very low | 34.1 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 58% | 0.584 | 73% | 0.733 | S | S | * | * | | | trans | -56.9 | 161.4 | 161.6 | -142.6 | -156.9 | 110.6 | 0 | 0 | 112.8 | R790 | E788-R790 WeakPolarHBondContact OE1-CB 3.43Å; E788-R790 WeakPolarHBondContact OE1-CG 3.44Å; E788-R790 PolarHBondContact OE1-N 3.46Å; E788-R790 IonicContact OE1-NH1 3.45Å; E788-R790 PolarHBondContact OE1-NH1 3.36Å; E788-R790 IonicContact OE2-NH1 3.65Å |
| 789 | P | 40.3 | Very low | 35.6 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 79% | 0.792 | 72% | 0.72 | S | S | * | * | | | | -147.2 | 154.4 | 81.9 | 36.6 | -17.9 | 0 | 0 | 0 | 118.3 | | |
| 790 | R | 31.5 | Very low | 37 | Very low | 189 Ų | 189 | 138 Ų | 138 | 71% | 0.713 | 72% | 0.718 | S | S | * | * | | | trans | -30.6 | 168.1 | 151.5 | -100 | -177.5 | -172.7 | 92.4 | -9 | 118 | E788 | E788-R790 WeakPolarHBondContact OE1-CB 3.43Å; E788-R790 WeakPolarHBondContact OE1-CG 3.44Å; E788-R790 PolarHBondContact OE1-N 3.46Å; E788-R790 IonicContact OE1-NH1 3.45Å; E788-R790 PolarHBondContact OE1-NH1 3.36Å; E788-R790 IonicContact OE2-NH1 3.65Å |
| 791 | P | 39.8 | Very low | 38.3 | Very low | 125 Ų | 125 | 137.3 Ų | 137.3 | 81% | 0.812 | 71% | 0.713 | S | S | * | * | | | cis | -129.3 | -176 | 36.5 | 20.5 | 4.8 | 0 | 0 | 0 | 114.7 | | |
| 792 | A | 32 | Very low | 39.6 | Very low | 70 Ų | 70 | 135.7 Ų | 135.7 | 58% | 0.579 | 70% | 0.702 | S | S | * | * | | | cis | 169.5 | -173.9 | -26.2 | 0 | 0 | 0 | 0 | 0 | 105.9 | | |
| 793 | E | 38.2 | Very low | 41 | Very low | 175 Ų | 175 | 135.3 Ų | 135.3 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | | | trans | 64.2 | 82.8 | 164.3 | -62 | -179.3 | -142.1 | 0 | 0 | 119.9 | | |
| 794 | F | 35.9 | Very low | 42.2 | Very low | 189 Ų | 189 | 133.3 Ų | 133.3 | 83% | 0.829 | 69% | 0.693 | S | S | * | * | | | | -169 | 78.1 | 117.2 | -124.7 | -98.4 | 0 | 0 | 0 | 111.2 | | |
| 795 | I | 40.5 | Very low | 43.6 | Very low | 159 Ų | 159 | 134.7 Ų | 134.7 | 82% | 0.815 | 70% | 0.7 | S | S | * | * | | | trans | -101.5 | 134.7 | -173.2 | -68.9 | 176.2 | 0 | 0 | 0 | 112.4 | | |
| 796 | A | 51.1 | Low | 44.5 | Very low | 79 Ų | 79 | 136.9 Ų | 136.9 | 65% | 0.653 | 70% | 0.703 | S | S | * | * | | | trans | 40.4 | 71.5 | 156 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 797 | K | 46.1 | Very low | 45.5 | Very low | 176 Ų | 176 | 135.2 Ų | 135.2 | 77% | 0.765 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | 101.5 | 149.5 | -64.1 | 177 | -176.8 | 175.4 | 0 | 107 | | |
| 798 | Y | 48 | Very low | 46.1 | Very low | 204 Ų | 204 | 136.5 Ų | 136.5 | 80% | 0.8 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -125.5 | 125 | 27.6 | -61.3 | -95.3 | 0 | 0 | 0 | 113.3 | | |
| 799 | G | 57.7 | Low | 46.5 | Very low | 42 Ų | 42 | 136.3 Ų | 136.3 | 43% | 0.433 | 70% | 0.703 | S | S | . | * | | | trans | -82 | -177.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L801 S802 | G799-L801 PolarHBondContact O-N 2.88Å; G799-S802 PolarHBondContact O-N 3.35Å; G799-S802 PolarHBondContact O-OG 3.18Å |
| 800 | L | 56.9 | Low | 46.4 | Very low | 132 Ų | 132 | 137.2 Ų | 137.2 | 69% | 0.691 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -45.1 | -27.3 | -168.7 | -153.1 | 70.1 | 0 | 0 | 0 | 117 | S802 Q803 L804 | L800-S802 VanDerWaalsContact C-N 3.25Å; L800-S802 PolarHBondContact O-N 2.93Å; L800-Q803 VanDerWaalsContact O-CB 3.27Å; L800-Q803 WeakPolarHBondContact O-CB 3.35Å; L800-Q803 PolarHBondContact O-N 2.71Å; L800-L804 PolarHBondContact O-N 3.36Å |
| 801 | L | 54.6 | Low | 46.4 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 64% | 0.639 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -63.9 | -26.9 | 176.7 | -77.2 | 165 | 0 | 0 | 0 | 113.5 | G799 Q803 L804 L805 | G799-L801 PolarHBondContact O-N 2.88Å; L801-Q803 PolarHBondContact O-N 3.47Å; L801-L804 HydrophobicContact CD2-CD1 4.26Å; L801-L804 PolarHBondContact O-N 2.91Å; L801-L805 WeakPolarHBondContact O-CB 3.25Å; L801-L805 PolarHBondContact O-N 2.84Å |
| 802 | S | 54.4 | Low | 46.1 | Very low | 56 Ų | 56 | 137.2 Ų | 137.2 | 39% | 0.392 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -63.4 | -22.3 | 171.5 | 59.4 | 0 | 0 | 0 | 0 | 113.4 | G799 L800 | G799-S802 PolarHBondContact O-N 3.35Å; G799-S802 PolarHBondContact O-OG 3.18Å; L800-S802 VanDerWaalsContact C-N 3.25Å; L800-S802 PolarHBondContact O-N 2.93Å |
| 803 | Q | 55.9 | Low | 45.9 | Very low | 142 Ų | 142 | 143.9 Ų | 143.9 | 66% | 0.664 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -89.7 | -23.8 | 178.5 | -157.9 | 168.6 | 1.9 | 0 | 0 | 112.3 | L800 L801 | L800-Q803 VanDerWaalsContact O-CB 3.27Å; L800-Q803 WeakPolarHBondContact O-CB 3.35Å; L800-Q803 PolarHBondContact O-N 2.71Å; L801-Q803 PolarHBondContact O-N 3.47Å |
| 804 | L | 54.4 | Low | 45.4 | Very low | 102 Ų | 102 | 141.1 Ų | 141.1 | 53% | 0.534 | 72% | 0.715 | S | S | . | * | H | α-helix | trans | -85 | -44.5 | 174.6 | -78.1 | 158.5 | 0 | 0 | 0 | 112.6 | L800 L801 K806 Q807 | L800-L804 PolarHBondContact O-N 3.36Å; L801-L804 HydrophobicContact CD2-CD1 4.26Å; L801-L804 PolarHBondContact O-N 2.91Å; L804-K806 PolarHBondContact O-N 2.99Å; L804-Q807 WeakPolarHBondContact O-CB 3.49Å; L804-Q807 PolarHBondContact O-N 2.73Å; L804-Q807 VanDerWaalsContact O-N 3.13Å |
| 805 | L | 55.4 | Low | 45.1 | Very low | 146 Ų | 146 | 137.4 Ų | 137.4 | 76% | 0.764 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -64.5 | -19.1 | 178.8 | -86.6 | 158.7 | 0 | 0 | 0 | 113.8 | L801 Q807 | L801-L805 WeakPolarHBondContact O-CB 3.25Å; L801-L805 PolarHBondContact O-N 2.84Å; L805-Q807 PolarHBondContact O-N 3.42Å |
| 806 | K | 50.6 | Low | 44.6 | Very low | 191 Ų | 191 | 134.5 Ų | 134.5 | 83% | 0.83 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -83.4 | 4.7 | 177.2 | -151.2 | 171.7 | -175.8 | 176.7 | 0 | 113.8 | L804 | L804-K806 PolarHBondContact O-N 2.99Š|
| 807 | Q | 54 | Low | 43.5 | Very low | 160 Ų | 160 | 135.1 Ų | 135.1 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -104.3 | 1.7 | -175.4 | -152.6 | 174.5 | 86.8 | 0 | 0 | 114 | L804 L805 | L804-Q807 WeakPolarHBondContact O-CB 3.49Å; L804-Q807 PolarHBondContact O-N 2.73Å; L804-Q807 VanDerWaalsContact O-N 3.13Å; L805-Q807 PolarHBondContact O-N 3.42Å |
| 808 | Q | 43.3 | Very low | 42.7 | Very low | 160 Ų | 160 | 132 Ų | 132 | 75% | 0.748 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -132 | 150.3 | 177.6 | -65.5 | -160 | 1.7 | 0 | 0 | 114.2 | | |
| 809 | T | 36.9 | Very low | 41.8 | Very low | 122 Ų | 122 | 130 Ų | 130 | 75% | 0.748 | 71% | 0.714 | S | S | * | * | | | trans | 51.2 | 89.1 | 166.5 | 54.1 | 0 | 0 | 0 | 0 | 117.9 | | |
| 810 | T | 36.5 | Very low | 40.3 | Very low | 141 Ų | 141 | 136 Ų | 136 | 87% | 0.865 | 73% | 0.731 | S | S | * | * | | | trans | -61.2 | 119.3 | 147.4 | 46.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 811 | T | 33.3 | Very low | 39.4 | Very low | 107 Ų | 107 | 134.3 Ų | 134.3 | 66% | 0.656 | 73% | 0.727 | S | S | * | * | | | trans | -159.3 | 140.9 | 159 | 4.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 812 | Y | 31.6 | Very low | 38 | Very low | 206 Ų | 206 | 136.9 Ų | 136.9 | 81% | 0.808 | 74% | 0.736 | S | S | * | * | | | trans | 57.7 | 124.8 | 162.2 | -61.2 | -65.5 | 0 | 0 | 0 | 122.6 | | |
| 813 | Y | 28.5 | Very low | 37.4 | Very low | 210 Ų | 210 | 138.5 Ų | 138.5 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | | | trans | 25.6 | 129.1 | 133.1 | -92.9 | -102.6 | 0 | 0 | 0 | 120.2 | | |
| 814 | S | 27.8 | Very low | 36.1 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | | | | -167.7 | 177 | 88.2 | -157.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 815 | S | 28.9 | Very low | 35 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | | | trans | -115.5 | 177.9 | -168.5 | -65.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 816 | A | 30.5 | Very low | 33.7 | Very low | 99 Ų | 99 | 142.8 Ų | 142.8 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | trans | -77.7 | 146.1 | -165.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 817 | A | 28.6 | Very low | 32.6 | Very low | 91 Ų | 91 | 140.9 Ų | 140.9 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | | | trans | -149.4 | 142.8 | 145.2 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 818 | T | 29.1 | Very low | 31.3 | Very low | 112 Ų | 112 | 139.4 Ų | 139.4 | 69% | 0.687 | 76% | 0.755 | S | S | * | * | | | cis | 84.6 | 131 | 24 | -43.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 819 | M | 28.9 | Very low | 30.8 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 80% | 0.798 | 76% | 0.755 | S | S | * | * | | | trans | 76.7 | 131.9 | -170.3 | -45.2 | -49.3 | 175.7 | 0 | 0 | 114.6 | | |
| 820 | Q | 26.8 | Very low | 30.6 | Very low | 168 Ų | 168 | 141.8 Ų | 141.8 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | | | cis | 76.6 | 148.7 | 32.3 | -66.3 | -77 | 43 | 0 | 0 | 114.8 | | |
| 821 | P | 36.6 | Very low | 30.3 | Very low | 95 Ų | 95 | 143 Ų | 143 | 62% | 0.617 | 75% | 0.751 | S | S | * | * | | | cis | -139.7 | 172.9 | -20 | 39.5 | -22.7 | 0 | 0 | 0 | 116 | | |
| 822 | E | 26.7 | Very low | 30.1 | Very low | 176 Ų | 176 | 144 Ų | 144 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | | | trans | 59.4 | -178.3 | 142.7 | -94.3 | -153.8 | 124.9 | 0 | 0 | 121.4 | | |
| 823 | P | 42.2 | Very low | 30.2 | Very low | 90 Ų | 90 | 142.6 Ų | 142.6 | 58% | 0.584 | 74% | 0.741 | S | S | * | * | | | cis | -135.3 | -175.1 | -28.2 | 26.5 | -4.1 | 0 | 0 | 0 | 116.1 | | |
| 824 | Q | 28.5 | Very low | 30.1 | Very low | 180 Ų | 180 | 137.7 Ų | 137.7 | 84% | 0.841 | 73% | 0.729 | S | S | * | * | | | trans | 101 | 135.7 | 150.3 | -59.7 | -163 | -3.9 | 0 | 0 | 120.4 | | |
| 825 | S | 29.8 | Very low | 30 | Very low | 85 Ų | 85 | 141.7 Ų | 141.7 | 59% | 0.594 | 73% | 0.727 | S | S | * | * | | | cis | -165.7 | 157 | -17.1 | 66.1 | 0 | 0 | 0 | 0 | 115.1 | | |
| 826 | R | 27.8 | Very low | 30.5 | Very low | 215 Ų | 215 | 142 Ų | 142 | 81% | 0.811 | 73% | 0.726 | S | S | * | * | | | trans | 69.1 | 148.1 | 154 | -70.8 | 174.6 | -177.1 | -165 | 1 | 118.4 | | |
| 827 | Q | 29 | Very low | 30.2 | Very low | 151 Ų | 151 | 144.1 Ų | 144.1 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | | | cis | -157.8 | 137.2 | 2.3 | -135.3 | 163.9 | -26 | 0 | 0 | 113.7 | | |
| 828 | V | 26.6 | Very low | 30.7 | Very low | 130 Ų | 130 | 145.8 Ų | 145.8 | 79% | 0.788 | 73% | 0.727 | S | S | * | * | | | trans | 55.3 | 137.6 | 142.6 | 168.6 | 0 | 0 | 0 | 0 | 119.4 | | |
| 829 | K | 31.8 | Very low | 30.7 | Very low | 174 Ų | 174 | 145.7 Ų | 145.7 | 76% | 0.757 | 73% | 0.731 | S | S | * | * | | | cis | -147.9 | 128.4 | 25.3 | -157.9 | 166.6 | -179.8 | -175.5 | 0 | 109.3 | | |
| 830 | E | 33.1 | Very low | 31 | Very low | 158 Ų | 158 | 144.1 Ų | 144.1 | 74% | 0.738 | 73% | 0.733 | S | S | * | * | | | | 57.3 | 131.4 | 91.8 | -127.2 | 165.4 | -164.7 | 0 | 0 | 114.6 | | |
| 831 | E | 29.5 | Very low | 31.3 | Very low | 167 Ų | 167 | 146.3 Ų | 146.3 | 78% | 0.78 | 74% | 0.74 | S | S | * | * | | | cis | -143.6 | 156.7 | 28.3 | -173.8 | 172.8 | 160.1 | 0 | 0 | 115.2 | | |
| 832 | H | 30.9 | Very low | 31.3 | Very low | 128 Ų | 128 | 153 Ų | 153 | 59% | 0.593 | 75% | 0.753 | S | S | * | * | | | trans | -21.5 | 159.2 | 168.3 | -67.8 | 151.6 | 0 | 0 | 0 | 121.4 | | |
| 833 | R | 32.2 | Very low | 31.7 | Very low | 176 Ų | 176 | 154.5 Ų | 154.5 | 66% | 0.664 | 75% | 0.751 | S | S | * | * | | | cis | -169.8 | 177.4 | 4.3 | -113.9 | 166.6 | -164.3 | -71.9 | -14.7 | 110.4 | | |
| 834 | D | 26.8 | Very low | 31.4 | Very low | 107 Ų | 107 | 159.6 Ų | 159.6 | 57% | 0.572 | 76% | 0.758 | S | S | * | * | | | cis | -151.6 | -170.1 | -3.4 | -139.8 | -35.4 | 0 | 0 | 0 | 112.1 | | |
| 835 | Y | 25.2 | Very low | 31.4 | Very low | 201 Ų | 201 | 156.1 Ų | 156.1 | 79% | 0.788 | 75% | 0.745 | S | S | * | * | | | trans | -140.5 | -176.8 | -179.2 | -90.6 | -74.8 | 0 | 0 | 0 | 111.2 | | |
| 836 | P | 39.8 | Very low | 31.1 | Very low | 116 Ų | 116 | 155.4 Ų | 155.4 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | | | cis | -137.2 | 175.3 | 14.8 | 43 | -24.1 | 0 | 0 | 0 | 118.7 | | |
| 837 | N | 23.5 | Very low | 31.1 | Very low | 145 Ų | 145 | 147.8 Ų | 147.8 | 78% | 0.775 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 148.2 | 169.1 | -77.2 | -54.6 | 0 | 0 | 0 | 112.9 | | |
| 838 | P | 39 | Very low | 31 | Very low | 126 Ų | 126 | 147.9 Ų | 147.9 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 140.1 | 166.1 | 35 | -31.6 | 0 | 0 | 0 | 113.3 | | |
| 839 | S | 29.8 | Very low | 31.3 | Very low | 110 Ų | 110 | 149.3 Ų | 149.3 | 77% | 0.769 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 145.3 | 176.7 | 61.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 840 | P | 34.9 | Very low | 31.3 | Very low | 129 Ų | 129 | 145.7 Ų | 145.7 | 84% | 0.838 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 146.3 | -176.8 | 31.3 | -35.9 | 0 | 0 | 0 | 113.9 | | |
| 841 | K | 33.5 | Very low | 31.2 | Very low | 213 Ų | 213 | 145.2 Ų | 145.2 | 93% | 0.926 | 71% | 0.712 | S | S | * | * | | | trans | -119.1 | 145.8 | 177.3 | -121.8 | 169.9 | -179.1 | 169.8 | 0 | 111.8 | | |
| 842 | R | 37.6 | Very low | 31.1 | Very low | 237 Ų | 237 | 140 Ų | 140 | 89% | 0.894 | 70% | 0.695 | S | S | * | * | | | trans | -106.9 | 156.6 | -168.5 | -53.7 | 164.3 | 74.5 | -175.7 | 6.9 | 111.9 | | |
| 843 | R | 35.2 | Very low | 31.4 | Very low | 206 Ų | 206 | 139.4 Ų | 139.4 | 78% | 0.777 | 70% | 0.695 | S | S | * | * | | | trans | 148.1 | 155.2 | 155.3 | -87.8 | 168 | 64.9 | 126.9 | 3.6 | 109.6 | | |
| 844 | R | 33.9 | Very low | 31.4 | Very low | 197 Ų | 197 | 136 Ų | 136 | 74% | 0.743 | 69% | 0.69 | S | S | * | * | | | cis | -163 | 179.9 | -19.6 | -116.7 | 179.1 | -159.8 | -167.3 | 6.1 | 107.2 | | |
| 845 | L | 29 | Very low | 31.6 | Very low | 107 Ų | 107 | 134.4 Ų | 134.4 | 56% | 0.56 | 69% | 0.687 | S | S | * | * | | | trans | -114.3 | 162.8 | -177.2 | -63.9 | 94.6 | 0 | 0 | 0 | 109.9 | P576 H577 | P576-L845 CarbonylContact O-C 3.37Å; P576-L845 VanDerWaalsContact O-CB 3.26Å; P576-L845 WeakPolarHBondContact O-CB 3.29Å; H577-L845 VanDerWaalsContact O-CD2 3.25Å; H577-L845 WeakPolarHBondContact O-CD2 3.23Å |
| 846 | C | 24.5 | Very low | 32.2 | Very low | 71 Ų | 71 | 131.5 Ų | 131.5 | 48% | 0.48 | 68% | 0.684 | S | S | . | * | | | cis | -175.4 | -174.3 | -14.2 | -99.8 | 0 | 0 | 0 | 0 | 108.9 | P576 H577 | P576-C846 WeakPolarHBondContact CD-O 3.31Å; P576-C846 VanDerWaalsContact CG-O 3.27Å; P576-C846 WeakPolarHBondContact CG-O 3.27Å; P576-C846 PolarHBondContact O-N 3.12Å; H577-C846 HydrophobicContact CB-CB 3.85Å |
| 847 | S | 27.2 | Very low | 32 | Very low | 54 Ų | 54 | 130.4 Ų | 130.4 | 38% | 0.378 | 68% | 0.679 | S | S | . | * | | | trans | 55.7 | 118.1 | 151.1 | -60.8 | 0 | 0 | 0 | 0 | 123.6 | H577 | H577-S847 VanDerWaalsContact CB-OG 3.29Å; H577-S847 WeakPolarHBondContact CB-OG 3.3Å; H577-S847 PolarHBondContact CD2-OG 3.2Å |
| 848 | E | 27.6 | Very low | 32.3 | Very low | 154 Ų | 154 | 128.1 Ų | 128.1 | 72% | 0.72 | 68% | 0.675 | S | S | * | * | | | | 65.7 | 110.1 | 112.4 | -164.4 | 175.7 | -160.6 | 0 | 0 | 121.7 | | |
| 849 | H | 33.2 | Very low | 32.8 | Very low | 159 Ų | 159 | 128.2 Ų | 128.2 | 74% | 0.736 | 68% | 0.675 | S | S | * | * | | | | -174.3 | 139 | 121.1 | -126.4 | -97.3 | 0 | 0 | 0 | 115.8 | | |
| 850 | T | 31.8 | Very low | 32.9 | Very low | 99 Ų | 99 | 134.5 Ų | 134.5 | 61% | 0.607 | 68% | 0.682 | S | S | * | * | | | trans | 31.6 | 121.1 | 149.3 | 52.6 | 0 | 0 | 0 | 0 | 125.6 | | |
| 851 | D | 30.1 | Very low | 32.8 | Very low | 147 Ų | 147 | 132 Ų | 132 | 79% | 0.786 | 67% | 0.672 | S | S | * | * | | | | 64.5 | 121.2 | 116.3 | -64.4 | -38.9 | 0 | 0 | 0 | 127.1 | | |
| 852 | S | 28.5 | Very low | 32.9 | Very low | 59 Ų | 59 | 128.3 Ų | 128.3 | 41% | 0.413 | 67% | 0.667 | S | S | . | * | | | | 98.4 | 109.8 | 120.7 | -171.6 | 0 | 0 | 0 | 0 | 122.7 | R977 | S852-R977 VanDerWaalsContact CB-NH2 3.28Å; S852-R977 PolarHBondContact O-NE 3.43Å; S852-R977 PolarHBondContact O-NH1 3.23Å; S852-R977 PolarHBondContact O-NH2 3.25Å; S852-R977 PolarHBondContact OG-NH2 2.95Å |
| 853 | L | 35.6 | Very low | 32.5 | Very low | 115 Ų | 115 | 123.3 Ų | 123.3 | 60% | 0.602 | 66% | 0.658 | S | S | * | * | | | trans | 66.4 | 125.3 | 131.1 | -59.8 | 176.5 | 0 | 0 | 0 | 125.3 | R977 | L853-R977 PolarHBondContact O-NH1 3.39Š|
| 854 | N | 32.4 | Very low | 32.1 | Very low | 104 Ų | 104 | 118.9 Ų | 118.9 | 56% | 0.556 | 66% | 0.659 | S | S | * | * | | | trans | 76.6 | 147.7 | 133.1 | -67.6 | 7 | 0 | 0 | 0 | 121.6 | L979 | N854-L979 WeakPolarHBondContact O-CB 3.4Š|
| 855 | S | 31.6 | Very low | 32 | Very low | 73 Ų | 73 | 113.2 Ų | 113.2 | 51% | 0.51 | 66% | 0.661 | S | S | . | * | | | cis | -175.9 | 153.8 | -11.8 | 50.1 | 0 | 0 | 0 | 0 | 114 | | |
| 856 | I | 37.8 | Very low | 32 | Very low | 140 Ų | 140 | 116 Ų | 116 | 72% | 0.718 | 68% | 0.677 | S | S | * | * | | | trans | 73.4 | 159.1 | 157.7 | -100.8 | 167.5 | 0 | 0 | 0 | 115.5 | | |
| 857 | S | 34.7 | Very low | 32.4 | Very low | 93 Ų | 93 | 115.8 Ų | 115.8 | 65% | 0.65 | 68% | 0.68 | S | S | * | * | | | cis | -141.8 | -153.1 | 29.3 | 70.8 | 0 | 0 | 0 | 0 | 116.4 | | |
| 858 | S | 31.2 | Very low | 32.5 | Very low | 98 Ų | 98 | 120.4 Ų | 120.4 | 69% | 0.685 | 70% | 0.701 | S | S | * | * | | | trans | -157.1 | 158.8 | 178.8 | 153.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 859 | P | 48.4 | Very low | 32.7 | Very low | 128 Ų | 128 | 120.9 Ų | 120.9 | 83% | 0.831 | 71% | 0.705 | S | S | * | * | | | | -133.7 | -154.4 | 127.1 | 39.3 | -28.9 | 0 | 0 | 0 | 114.3 | | |
| 860 | R | 32.6 | Very low | 32.4 | Very low | 242 Ų | 242 | 118.3 Ų | 118.3 | 91% | 0.913 | 71% | 0.705 | S | S | * | * | | | trans | -147.8 | 154.7 | -137.3 | -139.7 | -167.4 | -154.1 | -177.1 | 7.1 | 116.5 | | |
| 861 | A | 32.3 | Very low | 32.1 | Very low | 76 Ų | 76 | 118 Ų | 118 | 63% | 0.628 | 71% | 0.712 | S | S | * | * | | | trans | 87.4 | 157.6 | 136.8 | 0 | 0 | 0 | 0 | 0 | 124.2 | | |
| 862 | V | 34.8 | Very low | 32.1 | Very low | 135 Ų | 135 | 116.9 Ų | 116.9 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | | | trans | 64 | 149.1 | 162.8 | -62 | 0 | 0 | 0 | 0 | 119.8 | | |
| 863 | D | 30 | Very low | 32.2 | Very low | 132 Ų | 132 | 119.4 Ų | 119.4 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | | | cis | -152.4 | 169.5 | -0.8 | -142.6 | -55.4 | 0 | 0 | 0 | 112.6 | | |
| 864 | S | 28.1 | Very low | 31.9 | Very low | 114 Ų | 114 | 120.2 Ų | 120.2 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | | | trans | 40 | 139.4 | 150.4 | -69 | 0 | 0 | 0 | 0 | 121.6 | | |
| 865 | G | 30.2 | Very low | 31.8 | Very low | 77 Ų | 77 | 120.7 Ų | 120.7 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | | | cis | 175.3 | -152 | 8.8 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 866 | N | 30.5 | Very low | 31.7 | Very low | 166 Ų | 166 | 125.9 Ų | 125.9 | 89% | 0.888 | 77% | 0.766 | S | S | * | * | | | cis | -169.1 | -179.7 | -12.9 | -160.6 | -4.6 | 0 | 0 | 0 | 109.4 | | |
| 867 | A | 31.3 | Very low | 31.2 | Very low | 66 Ų | 66 | 124 Ų | 124 | 55% | 0.545 | 77% | 0.771 | S | S | . | * | | | trans | 80.5 | 114.9 | 155.4 | 0 | 0 | 0 | 0 | 0 | 123.2 | | |
| 868 | N | 29 | Very low | 30.6 | Very low | 152 Ų | 152 | 126.7 Ų | 126.7 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | | | trans | 70.9 | 152.5 | 138 | -56.2 | -8.5 | 0 | 0 | 0 | 121.3 | | |
| 869 | M | 32.1 | Very low | 31.5 | Very low | 163 Ų | 163 | 126.5 Ų | 126.5 | 80% | 0.803 | 78% | 0.775 | S | S | * | * | | | cis | -175.8 | 136.7 | -38.3 | -107.9 | -74.6 | -174.7 | 0 | 0 | 109.1 | | |
| 870 | S | 27 | Very low | 30.4 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | | | trans | 63 | 117.4 | 151.2 | -57.6 | 0 | 0 | 0 | 0 | 125.5 | | |
| 871 | A | 25 | Very low | 30.2 | Very low | 92 Ų | 92 | 123 Ų | 123 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | | | | 75.6 | 100.3 | 121.8 | 0 | 0 | 0 | 0 | 0 | 125.4 | | |
| 872 | S | 30.6 | Very low | 30.1 | Very low | 124 Ų | 124 | 125.8 Ų | 125.8 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | | | | 61.3 | 151.2 | 112.2 | -55.8 | 0 | 0 | 0 | 0 | 126.8 | | |
| 873 | S | 32 | Very low | 29.7 | Very low | 112 Ų | 112 | 129.7 Ų | 129.7 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | | | trans | 86.7 | 145 | 162 | -132.3 | 0 | 0 | 0 | 0 | 117 | | |
| 874 | T | 27.7 | Very low | 29.3 | Very low | 132 Ų | 132 | 128.4 Ų | 128.4 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | | | cis | -125.3 | -134.8 | 25.3 | 57.6 | 0 | 0 | 0 | 0 | 117.8 | | |
| 875 | V | 31.1 | Very low | 29.5 | Very low | 113 Ų | 113 | 129.9 Ų | 129.9 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | | | | -162.3 | 169.7 | -126.2 | 80.1 | 0 | 0 | 0 | 0 | 117.3 | | |
| 876 | Q | 29 | Very low | 29.2 | Very low | 183 Ų | 183 | 133.9 Ų | 133.9 | 86% | 0.855 | 75% | 0.753 | S | S | * | * | | | trans | 73.5 | 156.5 | 167.4 | -73.9 | 175.4 | 3.4 | 0 | 0 | 117.8 | | |
| 877 | A | 26.9 | Very low | 29 | Very low | 99 Ų | 99 | 131.6 Ų | 131.6 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | | | cis | -145.3 | -177.3 | 10.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 878 | D | 24 | Very low | 28.8 | Very low | 151 Ų | 151 | 136.5 Ų | 136.5 | 81% | 0.807 | 75% | 0.749 | S | S | * | * | | | trans | -115.8 | -175.2 | 177.3 | -151.6 | 32.3 | 0 | 0 | 0 | 109.1 | | |
| 879 | P | 49.2 | Very low | 28.6 | Very low | 93 Ų | 93 | 136.2 Ų | 136.2 | 60% | 0.604 | 74% | 0.742 | S | S | * | * | | | cis | -144.9 | -171.1 | 2.8 | 46.7 | -26.5 | 0 | 0 | 0 | 118.9 | | |
| 880 | E | 25.7 | Very low | 28.3 | Very low | 155 Ų | 155 | 135.6 Ų | 135.6 | 72% | 0.724 | 74% | 0.741 | S | S | * | * | | | trans | 93.7 | 130.2 | 144.8 | -80.7 | -158.7 | 112.8 | 0 | 0 | 126.9 | | |
| 881 | Q | 28.9 | Very low | 29.2 | Very low | 142 Ų | 142 | 135.6 Ų | 135.6 | 66% | 0.664 | 74% | 0.739 | S | S | * | * | | | trans | 87.5 | 104.8 | 138.4 | -72.8 | -177.3 | 26.9 | 0 | 0 | 127.3 | | |
| 882 | Q | 28.6 | Very low | 29.7 | Very low | 134 Ų | 134 | 136.1 Ų | 136.1 | 63% | 0.626 | 73% | 0.734 | S | S | * | * | | | | 88.4 | 137.5 | 118.8 | -84.1 | -164.6 | 4.1 | 0 | 0 | 127.4 | | |
| 883 | R | 26.5 | Very low | 29.5 | Very low | 217 Ų | 217 | 141.4 Ų | 141.4 | 82% | 0.819 | 74% | 0.736 | S | S | * | * | | | trans | 71.2 | 144.6 | 163.5 | -60.8 | -178.7 | -165.8 | 92.5 | 5.1 | 117.9 | | |
| 884 | S | 22.1 | Very low | 29.5 | Very low | 106 Ų | 106 | 141.5 Ų | 141.5 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | | | cis | -161.1 | 139.7 | -10.5 | 45.9 | 0 | 0 | 0 | 0 | 107.6 | | |
| 885 | L | 31.5 | Very low | 29.7 | Very low | 144 Ų | 144 | 141 Ų | 141 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | | | cis | 86.8 | 100 | 45.2 | -163.4 | 158.5 | 0 | 0 | 0 | 114.8 | | |
| 886 | K | 24.3 | Very low | 29.5 | Very low | 162 Ų | 162 | 143.9 Ų | 143.9 | 70% | 0.704 | 74% | 0.743 | S | S | * | * | | | | -162.1 | 128.3 | 126.7 | -92.9 | -152.2 | 167.5 | -74.3 | 0 | 108.1 | | |
| 887 | E | 26.4 | Very low | 29.4 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 55% | 0.547 | 73% | 0.732 | S | S | . | * | | | | 79 | 109.5 | 52.9 | -165.5 | -174.7 | 142.2 | 0 | 0 | 109.6 | | |
| 888 | E | 27.2 | Very low | 29.4 | Very low | 170 Ų | 170 | 143.2 Ų | 143.2 | 79% | 0.794 | 73% | 0.733 | S | S | * | * | | | | 69.6 | 143.2 | 88.7 | -117.3 | 165.8 | 133 | 0 | 0 | 111.7 | | |
| 889 | E | 24.3 | Very low | 29.8 | Very low | 146 Ų | 146 | 142 Ų | 142 | 68% | 0.682 | 73% | 0.731 | S | S | * | * | | | cis | -165.8 | 152.7 | 30.8 | -179.9 | 176.5 | 173.5 | 0 | 0 | 113 | | |
| 890 | L | 26.6 | Very low | 29.1 | Very low | 149 Ų | 149 | 144.2 Ų | 144.2 | 78% | 0.78 | 74% | 0.737 | S | S | * | * | | | trans | 65.6 | 166.2 | 157.7 | -77.7 | 171.9 | 0 | 0 | 0 | 122.9 | | |
| 891 | P | 46 | Very low | 29.3 | Very low | 106 Ų | 106 | 143.3 Ų | 143.3 | 69% | 0.688 | 74% | 0.743 | S | S | * | * | | | trans | -112 | -134.9 | -167.7 | 47.2 | -37.4 | 0 | 0 | 0 | 110.4 | | |
| 892 | P | 36.2 | Very low | 29.7 | Very low | 103 Ų | 103 | 146.3 Ų | 146.3 | 67% | 0.669 | 75% | 0.748 | S | S | * | * | | | cis | -125.8 | 167 | -29.8 | 37.8 | -23 | 0 | 0 | 0 | 114.4 | | |
| 893 | R | 26.1 | Very low | 30 | Very low | 236 Ų | 236 | 149.5 Ų | 149.5 | 89% | 0.891 | 76% | 0.762 | S | S | * | * | | | trans | 166.9 | 120.8 | 138.1 | -96.3 | 160.6 | 172.5 | 138.6 | -4.1 | 111.1 | | |
| 894 | S | 31.3 | Very low | 30.6 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | | | trans | -79.2 | 151.2 | 140.8 | 50.1 | 0 | 0 | 0 | 0 | 108.5 | | |
| 895 | P | 31.5 | Very low | 31.7 | Very low | 120 Ų | 120 | 149.3 Ų | 149.3 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | | | | -138.1 | 149.2 | 111.5 | 36.7 | -25.8 | 0 | 0 | 0 | 115.4 | | |
| 896 | M | 26.9 | Very low | 32.2 | Very low | 174 Ų | 174 | 146.1 Ų | 146.1 | 86% | 0.857 | 76% | 0.759 | S | S | * | * | | | trans | -35.1 | 155.6 | 151.6 | -94.5 | 166.4 | 66.9 | 0 | 0 | 115.7 | | |
| 897 | S | 27.8 | Very low | 33.4 | Very low | 90 Ų | 90 | 145.6 Ų | 145.6 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | | | cis | -155.7 | 169.4 | 6 | -55.3 | 0 | 0 | 0 | 0 | 112 | | |
| 898 | E | 26.5 | Very low | 35 | Very low | 179 Ų | 179 | 144.6 Ų | 144.6 | 84% | 0.836 | 76% | 0.755 | S | S | * | * | | | trans | 167 | 114.8 | 136.6 | -91.7 | 173.5 | -164.7 | 0 | 0 | 107.9 | | |
| 899 | T | 31.7 | Very low | 36.6 | Very low | 125 Ų | 125 | 140.4 Ų | 140.4 | 77% | 0.767 | 74% | 0.741 | S | S | * | * | | | | 60 | 143.6 | 76.1 | 61.5 | 0 | 0 | 0 | 0 | 117.1 | | |
| 900 | L | 34.1 | Very low | 38.1 | Very low | 139 Ų | 139 | 139.1 Ų | 139.1 | 73% | 0.728 | 74% | 0.738 | S | S | * | * | | | cis | -172.2 | 125.1 | -28.4 | 176.1 | 142.9 | 0 | 0 | 0 | 109.6 | R902 | L900-R902 HydrophobicContact CD2-CB 4.32Š|
| 901 | T | 30.5 | Very low | 39.8 | Very low | 137 Ų | 137 | 138.4 Ų | 138.4 | 84% | 0.84 | 73% | 0.729 | S | S | * | * | | | trans | -167.8 | 115 | 154.3 | 27.7 | 0 | 0 | 0 | 0 | 106.9 | | |
| 902 | R | 36.7 | Very low | 40.6 | Very low | 205 Ų | 205 | 139.1 Ų | 139.1 | 77% | 0.774 | 72% | 0.723 | S | S | * | * | | | | 65.5 | 90.1 | 50.5 | -165.1 | -169.7 | -179.6 | 172.6 | 1.9 | 113.8 | L900 | L900-R902 HydrophobicContact CD2-CB 4.32Š|
| 903 | E | 35.8 | Very low | 41.8 | Very low | 200 Ų | 200 | 138.3 Ų | 138.3 | 94% | 0.935 | 71% | 0.713 | S | S | * | * | | | trans | -138.2 | 148.2 | 135.7 | -141.6 | 170.4 | -131.1 | 0 | 0 | 109.6 | | |
| 904 | S | 38.9 | Very low | 43.4 | Very low | 74 Ų | 74 | 133.6 Ų | 133.6 | 52% | 0.517 | 71% | 0.705 | S | S | . | * | | | trans | -145.7 | 129 | -148.5 | 58.4 | 0 | 0 | 0 | 0 | 116.8 | G906 | S904-G906 PolarHBondContact O-N 3.49Š|
| 905 | R | 45 | Very low | 44.8 | Very low | 246 Ų | 246 | 134.5 Ų | 134.5 | 93% | 0.928 | 70% | 0.699 | S | S | * | * | | | trans | 48.3 | 58.1 | 141.4 | -53.6 | -176.2 | -163.5 | -125.6 | 3.6 | 117 | F907 | R905-F907 PolarHBondContact O-N 3.31Š|
| 906 | G | 42.4 | Very low | 45.7 | Very low | 77 Ų | 77 | 130.5 Ų | 130.5 | 79% | 0.794 | 67% | 0.674 | S | S | * | * | | | trans | -76.6 | 51.9 | 158 | 0 | 0 | 0 | 0 | 0 | 112.8 | S904 N908 | S904-G906 PolarHBondContact O-N 3.49Å; G906-N908 PolarHBondContact O-N 3.18Å |
| 907 | F | 50.1 | Low | 47.1 | Very low | 151 Ų | 151 | 130.2 Ų | 130.2 | 66% | 0.662 | 68% | 0.676 | S | S | * | * | | | trans | -66.9 | 103.5 | 178.1 | -168.9 | -78.4 | 0 | 0 | 0 | 108.4 | R905 V909 Q912 | R905-F907 PolarHBondContact O-N 3.31Å; F907-V909 VanDerWaalsContact C-N 3.25Å; F907-V909 HydrophobicContact CD1-CG2 3.71Å; F907-V909 HydrophobicContact CE1-CG2 4.2Å; F907-V909 PolarHBondContact O-N 2.91Å; F907-Q912 VanDerWaalsContact CZ-OE1 3.3Å |
| 908 | N | 59 | Low | 48.3 | Very low | 95 Ų | 95 | 132.4 Ų | 132.4 | 51% | 0.508 | 68% | 0.681 | S | S | . | * | | | trans | -84.6 | 71.6 | -165 | -159.3 | -31.5 | 0 | 0 | 0 | 110.5 | G906 L910 K911 Q912 | G906-N908 PolarHBondContact O-N 3.18Å; N908-L910 PolarHBondContact O-N 3.4Å; N908-L910 VanDerWaalsContact O-N 3.16Å; N908-K911 HydrophobicContact CB-CB 3.95Å; N908-K911 WeakPolarHBondContact O-CA 3.44Å; N908-K911 WeakPolarHBondContact O-CB 3.46Å; N908-K911 PolarHBondContact O-N 2.79Å; N908-K911 WeakPolarHBondContact OD1-CB 3.28Å; N908-K911 PolarHBondContact OD1-N 3.47Å; N908-K911 VanDerWaalsContact OD1-N 3.09Å; N908-Q912 PolarHBondContact O-N 3.03Å |
| 909 | V | 60.6 | Low | 49.1 | Very low | 83 Ų | 83 | 127.8 Ų | 127.8 | 50% | 0.503 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -50.9 | -38.4 | 178.8 | -175.3 | 0 | 0 | 0 | 0 | 110.6 | F907 K911 Q912 L913 | F907-V909 VanDerWaalsContact C-N 3.25Å; F907-V909 HydrophobicContact CD1-CG2 3.71Å; F907-V909 HydrophobicContact CE1-CG2 4.2Å; F907-V909 PolarHBondContact O-N 2.91Å; V909-K911 PolarHBondContact O-N 3.18Å; V909-Q912 CarbonylContact O-C 3.6Å; V909-Q912 PolarHBondContact O-N 3.5Å; V909-L913 HydrophobicContact CG1-CD1 3.92Å; V909-L913 HydrophobicContact CG1-CG 4.23Å; V909-L913 WeakPolarHBondContact O-CB 3.46Å; V909-L913 WeakPolarHBondContact O-CG 3.36Å; V909-L913 PolarHBondContact O-N 3.17Å |
| 910 | L | 56.1 | Low | 49.8 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 62% | 0.623 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -62.4 | -43.6 | 177.3 | -152.4 | 76.8 | 0 | 0 | 0 | 111.9 | N908 Q912 L913 L914 | N908-L910 PolarHBondContact O-N 3.4Å; N908-L910 VanDerWaalsContact O-N 3.16Å; L910-Q912 VanDerWaalsContact C-N 3.31Å; L910-Q912 PolarHBondContact O-N 2.93Å; L910-L913 PolarHBondContact O-N 3.26Å; L910-L914 HydrophobicContact CD2-CD1 4.49Å; L910-L914 HydrophobicContact CG-CD1 4.16Å; L910-L914 VanDerWaalsContact O-CB 3.28Å; L910-L914 WeakPolarHBondContact O-CB 3.45Å; L910-L914 WeakPolarHBondContact O-CD1 3.17Å; L910-L914 WeakPolarHBondContact O-CG 3.28Å; L910-L914 PolarHBondContact O-N 3.44Å |
| 911 | K | 63 | Low | 50.5 | Low | 133 Ų | 133 | 130.6 Ų | 130.6 | 58% | 0.578 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -67.9 | -29.1 | 175.1 | -165.9 | 176.6 | -176.4 | -177.1 | 0 | 112.6 | N908 V909 L915 | N908-K911 HydrophobicContact CB-CB 3.95Å; N908-K911 WeakPolarHBondContact O-CA 3.44Å; N908-K911 WeakPolarHBondContact O-CB 3.46Å; N908-K911 PolarHBondContact O-N 2.79Å; N908-K911 WeakPolarHBondContact OD1-CB 3.28Å; N908-K911 PolarHBondContact OD1-N 3.47Å; N908-K911 VanDerWaalsContact OD1-N 3.09Å; V909-K911 PolarHBondContact O-N 3.18Å; K911-L915 HydrophobicContact CG-CD1 3.99Å; K911-L915 VanDerWaalsContact O-CB 3.29Å; K911-L915 WeakPolarHBondContact O-CB 3.22Å; K911-L915 WeakPolarHBondContact O-CD1 3.49Å; K911-L915 VanDerWaalsContact O-CG 3.25Å; K911-L915 WeakPolarHBondContact O-CG 3.44Å; K911-L915 PolarHBondContact O-N 3.03Å |
| 912 | Q | 63.5 | Low | 51 | Low | 122 Ų | 122 | 132.5 Ų | 132.5 | 57% | 0.57 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -79 | -34.9 | 173.9 | -170 | 169.8 | -8.5 | 0 | 0 | 112.6 | F907 N908 V909 L910 L915 S916 | F907-Q912 VanDerWaalsContact CZ-OE1 3.3Å; N908-Q912 PolarHBondContact O-N 3.03Å; V909-Q912 CarbonylContact O-C 3.6Å; V909-Q912 PolarHBondContact O-N 3.5Å; L910-Q912 VanDerWaalsContact C-N 3.31Å; L910-Q912 PolarHBondContact O-N 2.93Å; Q912-L915 CarbonylContact O-C 3.51Å; Q912-L915 PolarHBondContact O-N 3.09Å; Q912-S916 WeakPolarHBondContact O-CB 3.39Å; Q912-S916 PolarHBondContact O-N 3.19Å; Q912-S916 PolarHBondContact O-OG 3.08Å |
| 913 | L | 59.7 | Low | 51.3 | Low | 85 Ų | 85 | 130.8 Ų | 130.8 | 45% | 0.445 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -65.1 | -50.7 | 172.2 | -76 | 167.6 | 0 | 0 | 0 | 111 | V909 L910 L915 S916 | V909-L913 HydrophobicContact CG1-CD1 3.92Å; V909-L913 HydrophobicContact CG1-CG 4.23Å; V909-L913 WeakPolarHBondContact O-CB 3.46Å; V909-L913 WeakPolarHBondContact O-CG 3.36Å; V909-L913 PolarHBondContact O-N 3.17Å; L910-L913 PolarHBondContact O-N 3.26Å; L913-L915 PolarHBondContact O-N 3.46Å; L913-S916 PolarHBondContact O-N 3.12Å; L913-S916 VanDerWaalsContact O-N 3.12Å; L913-S916 PolarHBondContact O-OG 3.42Å; L913-S916 VanDerWaalsContact O-OG 3.08Å |
| 914 | L | 60.8 | Low | 51.5 | Low | 138 Ų | 138 | 126.9 Ų | 126.9 | 72% | 0.723 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -17.4 | 178.3 | -71.9 | 167.2 | 0 | 0 | 0 | 114.3 | L910 | L910-L914 HydrophobicContact CD2-CD1 4.49Å; L910-L914 HydrophobicContact CG-CD1 4.16Å; L910-L914 VanDerWaalsContact O-CB 3.28Å; L910-L914 WeakPolarHBondContact O-CB 3.45Å; L910-L914 WeakPolarHBondContact O-CD1 3.17Å; L910-L914 WeakPolarHBondContact O-CG 3.28Å; L910-L914 PolarHBondContact O-N 3.44Å |
| 915 | L | 60 | Low | 51.1 | Low | 132 Ų | 132 | 128.8 Ų | 128.8 | 69% | 0.691 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.4 | 15 | 176.9 | -60.7 | 176.2 | 0 | 0 | 0 | 112.7 | K911 Q912 L913 | K911-L915 HydrophobicContact CG-CD1 3.99Å; K911-L915 VanDerWaalsContact O-CB 3.29Å; K911-L915 WeakPolarHBondContact O-CB 3.22Å; K911-L915 WeakPolarHBondContact O-CD1 3.49Å; K911-L915 VanDerWaalsContact O-CG 3.25Å; K911-L915 WeakPolarHBondContact O-CG 3.44Å; K911-L915 PolarHBondContact O-N 3.03Å; Q912-L915 CarbonylContact O-C 3.51Å; Q912-L915 PolarHBondContact O-N 3.09Å; L913-L915 PolarHBondContact O-N 3.46Å |
| 916 | S | 51.4 | Low | 50.5 | Low | 36 Ų | 36 | 123.9 Ų | 123.9 | 25% | 0.252 | 66% | 0.658 | S | S | . | * | S | Bend | trans | -109.2 | 127.8 | 169.5 | 70.3 | 0 | 0 | 0 | 0 | 109.5 | Q912 L913 N918 | Q912-S916 WeakPolarHBondContact O-CB 3.39Å; Q912-S916 PolarHBondContact O-N 3.19Å; Q912-S916 PolarHBondContact O-OG 3.08Å; L913-S916 PolarHBondContact O-N 3.12Å; L913-S916 VanDerWaalsContact O-N 3.12Å; L913-S916 PolarHBondContact O-OG 3.42Å; L913-S916 VanDerWaalsContact O-OG 3.08Å; S916-N918 PolarHBondContact O-N 3.48Å |
| 917 | D | 55.3 | Low | 50.4 | Low | 168 Ų | 168 | 125.5 Ų | 125.5 | 90% | 0.898 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 17.7 | -179.6 | -55.8 | -61.7 | 0 | 0 | 0 | 113.9 | | |
| 918 | N | 53.8 | Low | 49.3 | Very low | 137 Ų | 137 | 129.5 Ų | 129.5 | 73% | 0.733 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | -11.5 | -178.3 | -78.7 | -35.6 | 0 | 0 | 0 | 114.1 | S916 L920 | S916-N918 PolarHBondContact O-N 3.48Å; N918-L920 PolarHBondContact O-N 2.96Å; N918-L920 VanDerWaalsContact O-N 3.11Å |
| 919 | C | 43.7 | Very low | 47.9 | Very low | 82 Ų | 82 | 134.1 Ų | 134.1 | 55% | 0.554 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 9.4 | -177.2 | -71.5 | 0 | 0 | 0 | 0 | 115.4 | | |
| 920 | L | 44.5 | Very low | 46.3 | Very low | 169 Ų | 169 | 133.7 Ų | 133.7 | 89% | 0.885 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137 | 56.5 | 170.1 | -77 | 178.4 | 0 | 0 | 0 | 112.5 | N918 | N918-L920 PolarHBondContact O-N 2.96Å; N918-L920 VanDerWaalsContact O-N 3.11Å |
| 921 | K | 48.8 | Very low | 45 | Very low | 154 Ų | 154 | 134.1 Ų | 134.1 | 67% | 0.67 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -138.1 | 14.8 | 165.9 | -143.4 | 165 | -176.6 | 173.6 | 0 | 118.5 | | |
| 922 | E | 42.7 | Very low | 43.4 | Very low | 176 Ų | 176 | 133.3 Ų | 133.3 | 82% | 0.822 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -137 | 118.6 | 149.1 | -80.3 | -179.4 | 127 | 0 | 0 | 105.3 | | |
| 923 | L | 41.7 | Very low | 42.4 | Very low | 170 Ų | 170 | 133.1 Ų | 133.1 | 89% | 0.89 | 73% | 0.727 | S | S | * | * | S | Bend | cis | -119.1 | 110.8 | 32 | -61.1 | 163.5 | 0 | 0 | 0 | 113.4 | | |
| 924 | S | 40.8 | Very low | 40.8 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 83% | 0.825 | 74% | 0.735 | S | S | * | * | S | Bend | trans | 173.2 | 50.4 | 145.5 | 44.6 | 0 | 0 | 0 | 0 | 115.1 | | |
| 925 | Q | 30.4 | Very low | 39.3 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 53% | 0.528 | 74% | 0.736 | S | S | . | * | | | trans | -147.3 | 142.9 | 154.2 | -75.6 | -143.7 | 125.8 | 0 | 0 | 108.1 | | |
| 926 | Q | 31.9 | Very low | 37.9 | Very low | 143 Ų | 143 | 133.9 Ų | 133.9 | 67% | 0.668 | 74% | 0.737 | S | S | * | * | | | cis | -151 | 175 | 2 | -116.8 | 173.6 | -89.9 | 0 | 0 | 110 | | |
| 927 | P | 40.7 | Very low | 36.9 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 72% | 0.721 | 76% | 0.76 | S | S | * | * | | | trans | -103.6 | 160.2 | -164.2 | 39.1 | -36.7 | 0 | 0 | 0 | 116.7 | | |
| 928 | R | 26.8 | Very low | 35.7 | Very low | 235 Ų | 235 | 136.3 Ų | 136.3 | 89% | 0.887 | 75% | 0.746 | S | S | * | * | | | trans | -170 | 125.7 | 143 | -101 | 168.6 | 176.8 | -171.4 | -1.5 | 107.3 | | |
| 929 | Q | 29 | Very low | 34.5 | Very low | 193 Ų | 193 | 136.5 Ų | 136.5 | 90% | 0.902 | 75% | 0.753 | S | S | * | * | | | | 66.1 | 137.9 | 75.8 | -79.6 | -162 | 4.2 | 0 | 0 | 115.9 | | |
| 930 | G | 26.7 | Very low | 33.9 | Very low | 74 Ų | 74 | 136.4 Ų | 136.4 | 76% | 0.763 | 77% | 0.765 | S | S | * | * | | | trans | 113.6 | 125.5 | -168.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 931 | P | 29.3 | Very low | 33.3 | Very low | 128 Ų | 128 | 138.4 Ų | 138.4 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | | | cis | -118.3 | 173.7 | 26.9 | 41.3 | -32.2 | 0 | 0 | 0 | 116.1 | | |
| 932 | S | 29.6 | Very low | 32.5 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | | | trans | -143 | 141.3 | 152.6 | -68.5 | 0 | 0 | 0 | 0 | 105.6 | | |
| 933 | P | 42 | Very low | 31.9 | Very low | 119 Ų | 119 | 135 Ų | 135 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | | | | -136.1 | -164.1 | 70 | 45.9 | -30.8 | 0 | 0 | 0 | 111.4 | | |
| 934 | S | 27 | Very low | 31.4 | Very low | 88 Ų | 88 | 130.9 Ų | 130.9 | 62% | 0.615 | 77% | 0.773 | S | S | * | * | | | cis | -161.9 | 133.4 | 21.4 | -118 | 0 | 0 | 0 | 0 | 113.8 | | |
| 935 | I | 28.8 | Very low | 30.7 | Very low | 145 Ų | 145 | 132.4 Ų | 132.4 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | | | trans | 61.9 | 153.1 | 138.8 | -36.3 | 155.6 | 0 | 0 | 0 | 120.3 | | |
| 936 | L | 31.6 | Very low | 30.8 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 72% | 0.723 | 78% | 0.781 | S | S | * | * | | | trans | 82.2 | 138.3 | 165.5 | -53.3 | -178.5 | 0 | 0 | 0 | 116.8 | | |
| 937 | Q | 29.6 | Very low | 30.8 | Very low | 153 Ų | 153 | 134.1 Ų | 134.1 | 72% | 0.715 | 79% | 0.787 | S | S | * | * | | | cis | -160 | 154.4 | -13.8 | -133.7 | 174.5 | -4.4 | 0 | 0 | 113.4 | | |
| 938 | T | 30.1 | Very low | 30.4 | Very low | 101 Ų | 101 | 133.7 Ų | 133.7 | 62% | 0.62 | 79% | 0.787 | S | S | * | * | | | trans | 39.4 | 121.4 | 146.9 | 48.3 | 0 | 0 | 0 | 0 | 123.8 | | |
| 939 | T | 30 | Very low | 30.5 | Very low | 141 Ų | 141 | 131 Ų | 131 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | | | | 50 | 128 | 129.6 | 66.8 | 0 | 0 | 0 | 0 | 122.2 | | |
| 940 | G | 29.8 | Very low | 31.4 | Very low | 80 Ų | 80 | 126.3 Ų | 126.3 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | | | trans | -170.9 | 130.3 | 157.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 941 | K | 32.3 | Very low | 31.4 | Very low | 211 Ų | 211 | 128.3 Ų | 128.3 | 92% | 0.917 | 77% | 0.768 | S | S | * | * | | | trans | -110.9 | 161.6 | 173.3 | -86.3 | -177.4 | 175.8 | 177.3 | 0 | 110.3 | | |
| 942 | A | 31.6 | Very low | 31.4 | Very low | 87 Ų | 87 | 130.3 Ų | 130.3 | 72% | 0.719 | 77% | 0.766 | S | S | * | * | | | trans | 79.5 | 113 | 159.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 943 | N | 29.4 | Very low | 31.3 | Very low | 171 Ų | 171 | 130.4 Ų | 130.4 | 91% | 0.914 | 76% | 0.758 | S | S | * | * | | | trans | 35.9 | 105.1 | 130.6 | -54.8 | -1.5 | 0 | 0 | 0 | 119 | | |
| 944 | G | 31.9 | Very low | 30.9 | Very low | 85 Ų | 85 | 131.9 Ų | 131.9 | 88% | 0.876 | 75% | 0.754 | S | S | * | * | | | trans | -153.1 | 134.6 | 158.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 945 | N | 26.5 | Very low | 30.9 | Very low | 149 Ų | 149 | 134 Ų | 134 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | | | trans | -111.4 | 166.5 | -177.7 | -173.5 | 21.5 | 0 | 0 | 0 | 110.5 | | |
| 946 | I | 32.8 | Very low | 31.2 | Very low | 140 Ų | 140 | 134.2 Ų | 134.2 | 72% | 0.718 | 75% | 0.754 | S | S | * | * | | | trans | 72.8 | 112.2 | 172 | -42.4 | 168.5 | 0 | 0 | 0 | 112.1 | | |
| 947 | L | 31.7 | Very low | 31.2 | Very low | 152 Ų | 152 | 135.2 Ų | 135.2 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | | | | -172.1 | 166.7 | 78.9 | -172.1 | 55.8 | 0 | 0 | 0 | 112.2 | | |
| 948 | S | 31 | Very low | 31.2 | Very low | 103 Ų | 103 | 135 Ų | 135 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | | | trans | 56.2 | 93.7 | 159.1 | 53.5 | 0 | 0 | 0 | 0 | 120.1 | | |
| 949 | Q | 28.9 | Very low | 31.8 | Very low | 178 Ų | 178 | 136.2 Ų | 136.2 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | | | | -70.6 | 171.9 | 129.8 | -78.2 | -93.9 | 5.4 | 0 | 0 | 109.8 | | |
| 950 | P | 48.8 | Very low | 32.1 | Very low | 95 Ų | 95 | 131.2 Ų | 131.2 | 62% | 0.617 | 73% | 0.73 | S | S | * | * | | | cis | -126.3 | -178.6 | -9.8 | 39 | -23.9 | 0 | 0 | 0 | 112.7 | | |
| 951 | T | 27 | Very low | 32.3 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 71% | 0.712 | 72% | 0.717 | S | S | * | * | | | | 171.9 | 147 | 119.9 | 29.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 952 | Q | 29.9 | Very low | 32.2 | Very low | 169 Ų | 169 | 129.7 Ų | 129.7 | 79% | 0.79 | 71% | 0.706 | S | S | * | * | | | trans | 60.3 | 150.7 | 147.9 | -72.4 | -176.9 | -2.2 | 0 | 0 | 120 | | |
| 953 | N | 26.3 | Very low | 32.4 | Very low | 118 Ų | 118 | 131 Ų | 131 | 63% | 0.631 | 70% | 0.697 | S | S | * | * | | | cis | -168.8 | 179.1 | -34.1 | -128.7 | -6.5 | 0 | 0 | 0 | 108.1 | | |
| 954 | H | 34.3 | Very low | 32.5 | Very low | 150 Ų | 150 | 127.8 Ų | 127.8 | 69% | 0.694 | 68% | 0.684 | S | S | * | * | | | trans | 68.1 | 104 | 166.5 | -47.5 | -53.2 | 0 | 0 | 0 | 114.6 | | |
| 955 | N | 27.6 | Very low | 32.6 | Very low | 132 Ų | 132 | 131.8 Ų | 131.8 | 71% | 0.706 | 68% | 0.679 | S | S | * | * | | | | 60 | 101.8 | 81.8 | -64.5 | -8.5 | 0 | 0 | 0 | 111.9 | | |
| 956 | F | 34.5 | Very low | 32.8 | Very low | 150 Ų | 150 | 126.2 Ų | 126.2 | 66% | 0.658 | 66% | 0.657 | S | S | * | * | | | | 59.2 | 108.7 | 73.2 | -69.7 | -65.6 | 0 | 0 | 0 | 113.1 | | |
| 957 | L | 31.8 | Very low | 32.6 | Very low | 159 Ų | 159 | 122.7 Ų | 122.7 | 83% | 0.832 | 65% | 0.645 | S | S | * | * | | | trans | -122.4 | 141.7 | 140.4 | -58.8 | 173 | 0 | 0 | 0 | 105.5 | | |
| 958 | H | 30 | Very low | 32.7 | Very low | 149 Ų | 149 | 119.6 Ų | 119.6 | 69% | 0.69 | 63% | 0.629 | S | S | * | * | | | cis | -150.5 | 143.8 | 15.8 | -151.3 | -144.1 | 0 | 0 | 0 | 113.2 | | |
| 959 | L | 42.1 | Very low | 32.6 | Very low | 125 Ų | 125 | 119.6 Ų | 119.6 | 65% | 0.654 | 62% | 0.62 | S | S | * | * | | | trans | 69 | 157.9 | 157.7 | -107.2 | 54.3 | 0 | 0 | 0 | 117.3 | | |
| 960 | P | 35.2 | Very low | 32.9 | Very low | 36 Ų | 36 | 116.7 Ų | 116.7 | 23% | 0.234 | 62% | 0.62 | C | S | . | * | | | | -139.1 | 175.7 | 54.3 | 41.2 | -23.3 | 0 | 0 | 0 | 118.4 | V29 A31 | V29-P960 HydrophobicContact CB-CB 3.79Å; V29-P960 HydrophobicContact CG1-CB 3.54Å; A31-P960 HydrophobicContact CB-CG 3.6Å |
| 961 | S | 35.5 | Very low | 31.9 | Very low | 79 Ų | 79 | 115.5 Ų | 115.5 | 55% | 0.552 | 63% | 0.625 | S | S | * | * | | | trans | -62 | 151 | 161.4 | 177.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 962 | W | 29.1 | Very low | 32.3 | Very low | 181 Ų | 181 | 118.1 Ų | 118.1 | 69% | 0.686 | 63% | 0.633 | S | S | * | * | | | trans | -131.8 | 118.3 | 161.6 | -68.1 | 76 | 0 | 0 | 0 | 106.5 | A31 | A31-W962 HydrophobicContact CB-CZ2 4.22Š|
| 963 | H | 35.8 | Very low | 33.3 | Very low | 113 Ų | 113 | 114.9 Ų | 114.9 | 52% | 0.523 | 63% | 0.627 | S | S | . | * | | | | 69.5 | 142.2 | 72.3 | -52.6 | -20.6 | 0 | 0 | 0 | 111.4 | | |
| 964 | T | 32.5 | Very low | 33.5 | Very low | 105 Ų | 105 | 115.7 Ų | 115.7 | 64% | 0.644 | 63% | 0.631 | S | S | * | * | | | cis | -155.2 | -169.6 | 44.4 | 30.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 965 | H | 34.4 | Very low | 33.5 | Very low | 169 Ų | 169 | 116.5 Ų | 116.5 | 78% | 0.782 | 64% | 0.635 | S | S | * | * | | | cis | -148.8 | 165.9 | 12.9 | -40.6 | -109.8 | 0 | 0 | 0 | 107.3 | | |
| 966 | G | 29.3 | Very low | 33.7 | Very low | 32 Ų | 32 | 117.7 Ų | 117.7 | 33% | 0.33 | 64% | 0.64 | S | S | . | * | | | cis | -157.7 | -168.1 | -6.6 | 0 | 0 | 0 | 0 | 0 | 108 | S289 | S289-G966 CarbonylContact C-O 3.42Å; S289-G966 WeakPolarHBondContact CB-O 3.4Å; S289-G966 CarbonylContact O-C 3.12Å; S289-G966 PolarHBondContact OG-O 3.07Å |
| 967 | S | 29.6 | Very low | 33.6 | Very low | 65 Ų | 65 | 117.1 Ų | 117.1 | 46% | 0.455 | 63% | 0.634 | S | S | . | * | | | trans | -153.2 | -170.1 | -178.6 | 66.1 | 0 | 0 | 0 | 0 | 112.4 | S289 A293 | S289-S967 CarbonylContact O-C 3.42Å; S289-S967 WeakPolarHBondContact O-CA 3.46Å; S289-S967 PolarHBondContact O-N 2.92Å; A293-S967 WeakPolarHBondContact CA-O 3.43Å; A293-S967 WeakPolarHBondContact CB-O 3.47Å; A293-S967 PolarHBondContact N-O 3.18Å; A293-S967 VanDerWaalsContact N-O 3.1Å |
| 968 | L | 32.2 | Very low | 34.4 | Very low | 88 Ų | 88 | 115 Ų | 115 | 46% | 0.461 | 63% | 0.629 | S | S | . | * | | | trans | 154.8 | 170.2 | 136.1 | -80.2 | 175.6 | 0 | 0 | 0 | 114.2 | S292 A293 R296 | S292-L968 PolarHBondContact OG-O 2.88Å; A293-L968 HydrophobicContact CB-CD1 4.47Å; R296-L968 VanDerWaalsContact NH1-CD1 3.33Å |
| 969 | N | 30.6 | Very low | 34.5 | Very low | 102 Ų | 102 | 112.7 Ų | 112.7 | 55% | 0.545 | 62% | 0.621 | S | S | . | * | | | trans | -13 | 152.6 | 169 | -66.2 | 34.6 | 0 | 0 | 0 | 118.7 | S292 R296 | S292-N969 PolarHBondContact OG-O 3.44Å; R296-N969 PolarHBondContact NH1-ND2 3.26Å; R296-N969 PolarHBondContact NH1-OD1 3.08Å |
| 970 | S | 33.9 | Very low | 34.6 | Very low | 117 Ų | 117 | 111.5 Ų | 111.5 | 82% | 0.818 | 62% | 0.621 | S | S | * | * | | | cis | -175.3 | 175.3 | -6 | 47.4 | 0 | 0 | 0 | 0 | 108.1 | | |
| 971 | G | 29.2 | Very low | 34.4 | Very low | 70 Ų | 70 | 114.1 Ų | 114.1 | 72% | 0.722 | 64% | 0.637 | S | S | * | * | | | cis | -178.2 | -152.6 | 10.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 972 | L | 35.1 | Very low | 35.6 | Very low | 171 Ų | 171 | 114.8 Ų | 114.8 | 90% | 0.895 | 64% | 0.639 | S | S | * | * | | | trans | -146.1 | -175.9 | -175.3 | -88.8 | 168.3 | 0 | 0 | 0 | 109.4 | | |
| 973 | P | 49.9 | Very low | 36.7 | Very low | 101 Ų | 101 | 111.1 Ų | 111.1 | 66% | 0.656 | 64% | 0.638 | S | S | * | * | | | cis | -135.3 | -159.7 | 15.8 | 38.9 | -13.7 | 0 | 0 | 0 | 114 | | |
| 974 | N | 31.4 | Very low | 36.5 | Very low | 135 Ų | 135 | 114.2 Ų | 114.2 | 72% | 0.722 | 65% | 0.653 | S | S | * | * | | | cis | -171 | 135.4 | 34 | -137.5 | -5 | 0 | 0 | 0 | 117.5 | | |
| 975 | H | 33.3 | Very low | 36.3 | Very low | 168 Ų | 168 | 112.5 Ų | 112.5 | 78% | 0.778 | 66% | 0.656 | S | S | * | * | | | trans | 51.9 | 174.5 | 152.5 | -90.6 | -117.5 | 0 | 0 | 0 | 120.9 | | |
| 976 | I | 33.4 | Very low | 36 | Very low | 156 Ų | 156 | 111.9 Ų | 111.9 | 80% | 0.8 | 66% | 0.659 | S | S | * | * | | | cis | -136.5 | -162.4 | 2.4 | -21 | 162.6 | 0 | 0 | 0 | 111.5 | | |
| 977 | R | 31.6 | Very low | 36 | Very low | 139 Ų | 139 | 117.7 Ų | 117.7 | 53% | 0.525 | 68% | 0.682 | S | S | . | * | | | trans | -151.2 | 178.8 | 166.2 | -139.4 | -161.6 | -67.9 | 150.6 | -7 | 110 | S852 L853 | S852-R977 VanDerWaalsContact CB-NH2 3.28Å; S852-R977 PolarHBondContact O-NE 3.43Å; S852-R977 PolarHBondContact O-NH1 3.23Å; S852-R977 PolarHBondContact O-NH2 3.25Å; S852-R977 PolarHBondContact OG-NH2 2.95Å; L853-R977 PolarHBondContact O-NH1 3.39Å |
| 978 | P | 48.8 | Very low | 37.1 | Very low | 113 Ų | 113 | 119.8 Ų | 119.8 | 73% | 0.734 | 70% | 0.695 | S | S | * | * | | | | -145.8 | -123.8 | 57.4 | 41.8 | -18.1 | 0 | 0 | 0 | 115.6 | | |
| 979 | L | 31 | Very low | 36.9 | Very low | 101 Ų | 101 | 123.5 Ų | 123.5 | 53% | 0.529 | 71% | 0.713 | S | S | . | * | | | trans | -151.7 | 172.4 | -173.3 | -158.3 | 76.3 | 0 | 0 | 0 | 109.9 | N854 T981 | N854-L979 WeakPolarHBondContact O-CB 3.4Å; L979-T981 HydrophobicContact CD2-CG2 4.05Å |
| 980 | P | 44.3 | Very low | 36.9 | Very low | 100 Ų | 100 | 129.6 Ų | 129.6 | 65% | 0.649 | 73% | 0.728 | S | S | * | * | | | | -150.3 | -172.2 | 95.9 | 38.7 | -18.8 | 0 | 0 | 0 | 116.5 | | |
| 981 | T | 32.2 | Very low | 37.1 | Very low | 92 Ų | 92 | 130.3 Ų | 130.3 | 56% | 0.564 | 73% | 0.73 | S | S | * | * | | | trans | -133.3 | -159.5 | -177.1 | 57.5 | 0 | 0 | 0 | 0 | 110.1 | L979 | L979-T981 HydrophobicContact CD2-CG2 4.05Š|
| 982 | P | 60 | Low | 37.1 | Very low | 92 Ų | 92 | 131.4 Ų | 131.4 | 60% | 0.597 | 73% | 0.733 | S | S | * | * | | | cis | -120.8 | -135.4 | -17.1 | 42.5 | -23.1 | 0 | 0 | 0 | 109.8 | | |
| 983 | P | 51.9 | Low | 36.7 | Very low | 104 Ų | 104 | 127.7 Ų | 127.7 | 68% | 0.675 | 72% | 0.721 | S | S | * | * | | | cis | -118 | -142.8 | -31.1 | 33.7 | -10.1 | 0 | 0 | 0 | 110.3 | | |
| 984 | E | 32 | Very low | 35.6 | Very low | 179 Ų | 179 | 134.1 Ų | 134.1 | 84% | 0.836 | 73% | 0.732 | S | S | * | * | | | cis | -158.9 | -156.2 | -8.2 | -146.4 | 155.2 | -81.9 | 0 | 0 | 110.2 | | |
| 985 | G | 28.2 | Very low | 35.6 | Very low | 69 Ų | 69 | 134.5 Ų | 134.5 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | | | trans | 162.1 | 4.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 126.9 | | |
| 986 | N | 28.8 | Very low | 35.2 | Very low | 156 Ų | 156 | 137.5 Ų | 137.5 | 83% | 0.834 | 74% | 0.737 | S | S | * | * | | | trans | 59.9 | 157.7 | 168.8 | -77.2 | -28.4 | 0 | 0 | 0 | 123.3 | | |
| 987 | N | 28.5 | Very low | 35.1 | Very low | 153 Ų | 153 | 136.9 Ų | 136.9 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | | | trans | -112.2 | -156.4 | -179.7 | -54.7 | -81.9 | 0 | 0 | 0 | 109.6 | | |
| 988 | P | 52 | Low | 35.6 | Very low | 110 Ų | 110 | 136 Ų | 136 | 71% | 0.714 | 74% | 0.744 | S | S | * | * | | | cis | -144.2 | -175.9 | -8.9 | 41.6 | -20.7 | 0 | 0 | 0 | 118.2 | | |
| 989 | I | 29.1 | Very low | 34.8 | Very low | 165 Ų | 165 | 136.5 Ų | 136.5 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | | | trans | 83.8 | 151.1 | 143.6 | -82.7 | 161.2 | 0 | 0 | 0 | 122.6 | | |
| 990 | R | 30.3 | Very low | 35.9 | Very low | 231 Ų | 231 | 136.3 Ų | 136.3 | 87% | 0.872 | 75% | 0.749 | S | S | * | * | | | trans | -104.4 | 169.1 | -179 | -98.4 | -174 | -169.7 | -180 | 5.1 | 110.1 | | |
| 991 | P | 38.7 | Very low | 35.1 | Very low | 132 Ų | 132 | 143.4 Ų | 143.4 | 86% | 0.857 | 76% | 0.763 | S | S | * | * | | | cis | -146.6 | -156 | 45.3 | 40.7 | -17.1 | 0 | 0 | 0 | 115.3 | | |
| 992 | A | 29.7 | Very low | 36.1 | Very low | 93 Ų | 93 | 143.8 Ų | 143.8 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | | | trans | -128.5 | 162.2 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 993 | S | 25.6 | Very low | 34.8 | Very low | 93 Ų | 93 | 143.5 Ų | 143.5 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | | | trans | -173.6 | 138.3 | 153.3 | -85.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 994 | W | 26.7 | Very low | 33.6 | Very low | 235 Ų | 235 | 144.7 Ų | 144.7 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | | | trans | 67.8 | 159.8 | 148.1 | -55.1 | -16.8 | 0 | 0 | 0 | 118.4 | | |
| 995 | I | 30.6 | Very low | 33.5 | Very low | 144 Ų | 144 | 145 Ų | 145 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | | | cis | -155.9 | 162.7 | 1.4 | -131.6 | 161.2 | 0 | 0 | 0 | 111.9 | | |
| 996 | R | 26.4 | Very low | 33.5 | Very low | 230 Ų | 230 | 150.4 Ų | 150.4 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | | | trans | 137.1 | 151 | 137 | -151.1 | 167.8 | -111 | -95.7 | 6.7 | 116.4 | | |
| 997 | Q | 30.3 | Very low | 33.4 | Very low | 143 Ų | 143 | 152.9 Ų | 152.9 | 67% | 0.668 | 78% | 0.781 | S | S | * | * | | | trans | -134.4 | 162.2 | -169.2 | -98.8 | -89 | -2.3 | 0 | 0 | 109.4 | | |
| 998 | P | 43.3 | Very low | 33.3 | Very low | 122 Ų | 122 | 153.8 Ų | 153.8 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | | | | -154.4 | 158.6 | 97 | 38.8 | -19.5 | 0 | 0 | 0 | 119.1 | | |
| 999 | V | 30.8 | Very low | 32.8 | Very low | 122 Ų | 122 | 153.8 Ų | 153.8 | 74% | 0.739 | 78% | 0.78 | S | S | * | * | | | trans | -157.1 | 178.8 | 167.7 | -79 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1000 | P | 55.1 | Low | 34 | Very low | 98 Ų | 98 | 151.2 Ų | 151.2 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | | | cis | -131.7 | -167.4 | -0.2 | 45.6 | -29.4 | 0 | 0 | 0 | 114.3 | | |
| 1001 | W | 27.8 | Very low | 34 | Very low | 249 Ų | 249 | 145.8 Ų | 145.8 | 94% | 0.943 | 77% | 0.767 | S | S | * | * | | | trans | -156.3 | 158.5 | 146.5 | -80.5 | 125.4 | 0 | 0 | 0 | 111.4 | | |
| 1002 | P | 51.7 | Low | 33.6 | Very low | 100 Ų | 100 | 146.6 Ų | 146.6 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | | | trans | -145.8 | -169.1 | -135 | 44.1 | -23.5 | 0 | 0 | 0 | 118.5 | | |
| 1003 | A | 32.6 | Very low | 33.6 | Very low | 86 Ų | 86 | 149.5 Ų | 149.5 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | | | trans | 78.1 | 152 | 149.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 1004 | T | 28.2 | Very low | 33.7 | Very low | 128 Ų | 128 | 152.5 Ų | 152.5 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | | | cis | -165.8 | 167.8 | -18 | 24.7 | 0 | 0 | 0 | 0 | 111 | | |
| 1005 | Q | 29.2 | Very low | 33.8 | Very low | 187 Ų | 187 | 149 Ų | 149 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | | | trans | 108.3 | 157.3 | 158.4 | -60.2 | -172.7 | 14 | 0 | 0 | 117.5 | | |
| 1006 | K | 28.4 | Very low | 33.7 | Very low | 181 Ų | 181 | 149.7 Ų | 149.7 | 79% | 0.787 | 76% | 0.759 | S | S | * | * | | | | -168.5 | 135.8 | -56.3 | -140.3 | -174.7 | 179.1 | 177.5 | 0 | 110.9 | | |
| 1007 | R | 26.9 | Very low | 34.4 | Very low | 208 Ų | 208 | 144.3 Ų | 144.3 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | | | trans | 70.6 | 103.2 | 146.2 | -161.7 | 177.7 | -123 | 172.6 | -3.1 | 122.2 | | |
| 1008 | E | 26.5 | Very low | 34.1 | Very low | 173 Ų | 173 | 144.4 Ų | 144.4 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | | | | 31.4 | 161.1 | 115 | -82.2 | -169.8 | 126.9 | 0 | 0 | 124.3 | | |
| 1009 | P | 41.6 | Very low | 33.3 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 71% | 0.708 | 75% | 0.748 | S | S | * | * | | | cis | -133.9 | -127.1 | -14.4 | 34.7 | -8.6 | 0 | 0 | 0 | 115 | | |
| 1010 | P | 53.2 | Low | 34.5 | Very low | 111 Ų | 111 | 142.3 Ų | 142.3 | 72% | 0.721 | 75% | 0.745 | S | S | * | * | | | | -137.5 | -154.7 | -127.9 | 43.6 | -19.5 | 0 | 0 | 0 | 118.1 | | |
| 1011 | T | 31.7 | Very low | 33.2 | Very low | 117 Ų | 117 | 144.4 Ų | 144.4 | 72% | 0.718 | 75% | 0.75 | S | S | * | * | | | trans | 110.6 | 125.5 | 142.7 | 3.2 | 0 | 0 | 0 | 0 | 124.3 | | |
| 1012 | L | 30 | Very low | 33 | Very low | 149 Ų | 149 | 143.5 Ų | 143.5 | 78% | 0.78 | 75% | 0.746 | S | S | * | * | | | trans | 89.3 | 158.9 | 132.6 | -134.2 | 128.6 | 0 | 0 | 0 | 123.6 | | |
| 1013 | I | 28.5 | Very low | 32 | Very low | 154 Ų | 154 | 149.7 Ų | 149.7 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | | | trans | 100.2 | 134.5 | 164 | -58.5 | 172.9 | 0 | 0 | 0 | 116.9 | | |
| 1014 | K | 28.5 | Very low | 31.6 | Very low | 157 Ų | 157 | 150.6 Ų | 150.6 | 68% | 0.683 | 76% | 0.758 | S | S | * | * | | | cis | -172 | 139.1 | -31.3 | -155.7 | -161.5 | -172.1 | -151.9 | 0 | 111.9 | | |
| 1015 | Q | 28.6 | Very low | 31.5 | Very low | 161 Ų | 161 | 149.4 Ų | 149.4 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | | | trans | 63.9 | 152.8 | 149.5 | -92.1 | 174.5 | -26.9 | 0 | 0 | 124.8 | | |
| 1016 | E | 29.1 | Very low | 31.5 | Very low | 158 Ų | 158 | 148.5 Ų | 148.5 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | | | trans | -98.3 | 172.2 | 170.9 | -160.6 | -151.3 | 122.9 | 0 | 0 | 110.5 | E1018 | E1016-E1018 PolarHBondContact OE1-N 3.16Š|
| 1017 | P | 40.7 | Very low | 31.6 | Very low | 117 Ų | 117 | 146.5 Ų | 146.5 | 76% | 0.76 | 74% | 0.744 | S | S | * | * | | | | -159.1 | 149.1 | 99.9 | 40.7 | -20.9 | 0 | 0 | 0 | 119.5 | | |
| 1018 | E | 24.2 | Very low | 31.8 | Very low | 145 Ų | 145 | 143.7 Ų | 143.7 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | | | | 64.5 | 91.7 | 120.9 | -157.4 | 68.1 | -101.1 | 0 | 0 | 123.3 | E1016 | E1016-E1018 PolarHBondContact OE1-N 3.16Š|
| 1019 | S | 25.8 | Very low | 32.2 | Very low | 95 Ų | 95 | 141.5 Ų | 141.5 | 66% | 0.664 | 74% | 0.738 | S | S | * | * | | | | 56.3 | -172.5 | 127.7 | 86.7 | 0 | 0 | 0 | 0 | 122.7 | | |
| 1020 | P | 56.2 | Low | 31.7 | Very low | 105 Ų | 105 | 139.6 Ų | 139.6 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | | | | -138.7 | -164.2 | -121.2 | 36.1 | -9.5 | 0 | 0 | 0 | 118.9 | | |
| 1021 | I | 27.7 | Very low | 30.9 | Very low | 143 Ų | 143 | 141.7 Ų | 141.7 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | | | trans | 93.3 | 123.3 | 158.3 | -57.4 | 157 | 0 | 0 | 0 | 120.1 | | |
| 1022 | R | 23.9 | Very low | 31.2 | Very low | 229 Ų | 229 | 142.6 Ų | 142.6 | 86% | 0.864 | 74% | 0.741 | S | S | * | * | | | trans | 164.9 | 120.8 | 130.5 | -175.1 | 174.1 | -61.5 | -166.5 | 1 | 109.4 | | |
| 1023 | W | 29.9 | Very low | 31.7 | Very low | 230 Ų | 230 | 143.8 Ų | 143.8 | 87% | 0.871 | 74% | 0.743 | S | S | * | * | | | cis | 87 | 150.6 | 41.3 | -82.7 | 79.5 | 0 | 0 | 0 | 116.8 | | |
| 1024 | S | 25.1 | Very low | 31.8 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 74% | 0.741 | 74% | 0.737 | S | S | * | * | | | trans | 86.7 | 141.4 | -175.9 | 74.8 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1025 | S | 26.4 | Very low | 32 | Very low | 102 Ų | 102 | 138.3 Ų | 138.3 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | | | cis | -166.8 | 171.4 | -16.6 | -103.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1026 | Q | 29.2 | Very low | 32.3 | Very low | 169 Ų | 169 | 139.2 Ų | 139.2 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | | | trans | 86.5 | 111.8 | 154 | -138.8 | 168.5 | 10.8 | 0 | 0 | 117 | | |
| 1027 | E | 29.7 | Very low | 32.7 | Very low | 139 Ų | 139 | 136.5 Ų | 136.5 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | | | cis | 104.9 | 107.1 | 24.4 | -68.3 | 157.6 | -164.9 | 0 | 0 | 113.6 | | |
| 1028 | N | 30.5 | Very low | 32.2 | Very low | 148 Ų | 148 | 137.5 Ų | 137.5 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | | | trans | 175.8 | 95.2 | 148.2 | -106.6 | -105.6 | 0 | 0 | 0 | 105.1 | | |
| 1029 | D | 35.3 | Very low | 33.3 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 68% | 0.679 | 76% | 0.757 | S | S | * | * | | | | 68.5 | 124.3 | 71.1 | -55.8 | -33.2 | 0 | 0 | 0 | 112.2 | | |
| 1030 | G | 32.3 | Very low | 34 | Very low | 70 Ų | 70 | 138.8 Ų | 138.8 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | | | cis | -164.6 | -166.8 | -4.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 1031 | M | 36.4 | Very low | 33 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | | | cis | -176.5 | 156.9 | -11.8 | -126.4 | 73.7 | 178.1 | 0 | 0 | 105.1 | | |
| 1032 | D | 37.3 | Very low | 33.7 | Very low | 135 Ų | 135 | 136.8 Ų | 136.8 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | | | cis | -150.7 | -148.6 | -15.4 | -140.9 | -30.6 | 0 | 0 | 0 | 105.7 | | |
| 1033 | E | 40.2 | Very low | 35 | Very low | 175 Ų | 175 | 135.9 Ų | 135.9 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | | | cis | -151.2 | 132.5 | 2.5 | -171.5 | -164.3 | 123.2 | 0 | 0 | 108.9 | | |
| 1034 | G | 30.6 | Very low | 36.1 | Very low | 65 Ų | 65 | 130.2 Ų | 130.2 | 67% | 0.67 | 74% | 0.742 | S | S | * | * | | | trans | 68.1 | 161.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 1035 | C | 33.5 | Very low | 37.5 | Very low | 131 Ų | 131 | 129.1 Ų | 129.1 | 89% | 0.885 | 73% | 0.734 | S | S | * | * | | | cis | -143.5 | 170.9 | -6.9 | -89.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1036 | E | 33.8 | Very low | 38.8 | Very low | 180 Ų | 180 | 135.5 Ų | 135.5 | 84% | 0.841 | 74% | 0.742 | S | S | * | * | | | trans | -83.3 | 166.7 | -161.2 | -47.1 | -174.7 | 127.4 | 0 | 0 | 117.2 | | |
| 1037 | S | 39 | Very low | 40 | Very low | 101 Ų | 101 | 131.6 Ų | 131.6 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | | | trans | 59 | 104 | 139.6 | -66.4 | 0 | 0 | 0 | 0 | 120.9 | | |
| 1038 | N | 29.2 | Very low | 41.4 | Very low | 138 Ų | 138 | 127.8 Ų | 127.8 | 74% | 0.738 | 72% | 0.718 | S | S | * | * | | | | -159.2 | 127.6 | 122.2 | -125.5 | -48.8 | 0 | 0 | 0 | 112.8 | D1040 | N1038-D1040 VanDerWaalsContact C-N 3.27Å; N1038-D1040 PolarHBondContact O-N 2.86Å |
| 1039 | P | 46.7 | Very low | 43.4 | Very low | 131 Ų | 131 | 125.4 Ų | 125.4 | 85% | 0.851 | 71% | 0.71 | S | S | * | * | | | trans | -82.5 | 3.4 | 177.8 | 34 | -36.1 | 0 | 0 | 0 | 114.3 | | |
| 1040 | D | 42.1 | Very low | 45.2 | Very low | 136 Ų | 136 | 125 Ų | 125 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | | | trans | -111.2 | 53.7 | -163.6 | -155.7 | 11.9 | 0 | 0 | 0 | 114.4 | N1038 | N1038-D1040 VanDerWaalsContact C-N 3.27Å; N1038-D1040 PolarHBondContact O-N 2.86Å |
| 1041 | S | 34.6 | Very low | 47 | Very low | 104 Ų | 104 | 125.3 Ų | 125.3 | 73% | 0.727 | 69% | 0.692 | S | S | * | * | | | trans | -102.1 | 111.7 | 166.3 | -77.9 | 0 | 0 | 0 | 0 | 110.3 | R1043 | S1041-R1043 PolarHBondContact O-N 3.26Š|
| 1042 | P | 42.2 | Very low | 49 | Very low | 102 Ų | 102 | 123.6 Ų | 123.6 | 66% | 0.662 | 68% | 0.677 | S | S | * | * | | | trans | -65.5 | 124.5 | -178.3 | 25.7 | -33.6 | 0 | 0 | 0 | 110.5 | L1044 | P1042-L1044 PolarHBondContact O-N 3.02Š|
| 1043 | R | 51.2 | Low | 50.8 | Low | 209 Ų | 209 | 125.2 Ų | 125.2 | 79% | 0.789 | 68% | 0.675 | S | S | * | * | | | trans | -62.3 | 101 | -178.7 | -65.2 | -175.7 | -178.3 | -170.5 | 0.7 | 110.6 | S1041 S1045 R1046 | S1041-R1043 PolarHBondContact O-N 3.26Å; R1043-S1045 PolarHBondContact O-N 3.19Å; R1043-R1046 PolarHBondContact O-N 3.39Å |
| 1044 | L | 53.3 | Low | 52.6 | Low | 112 Ų | 112 | 122.9 Ų | 122.9 | 59% | 0.586 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -53.2 | -19.7 | -178.1 | -70.2 | 169.3 | 0 | 0 | 0 | 114.3 | P1042 R1046 | P1042-L1044 PolarHBondContact O-N 3.02Å; L1044-R1046 PolarHBondContact O-N 3.33Å |
| 1045 | S | 53.8 | Low | 54.8 | Low | 83 Ų | 83 | 126.6 Ų | 126.6 | 58% | 0.58 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -69.1 | -4.7 | 174.2 | 56.1 | 0 | 0 | 0 | 0 | 115.7 | R1043 | R1043-S1045 PolarHBondContact O-N 3.19Å |
| 1046 | R | 54.4 | Low | 56.5 | Low | 236 Ų | 236 | 126.5 Ų | 126.5 | 89% | 0.891 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -117.3 | -25 | 176.8 | -81.3 | -173 | 168.5 | 178.4 | -3.9 | 115.9 | R1043 L1044 | R1043-R1046 PolarHBondContact O-N 3.39Å; L1044-R1046 PolarHBondContact O-N 3.33Å |
| 1047 | S | 54.7 | Low | 57.6 | Low | 87 Ų | 87 | 125.9 Ų | 125.9 | 61% | 0.608 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -96.6 | -22.3 | -174.5 | 51.6 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1048 | N | 59 | Low | 57.9 | Low | 58 Ų | 58 | 127.5 Ų | 127.5 | 31% | 0.31 | 68% | 0.683 | S | S | . | * | | | trans | -139.4 | 92.3 | -176.5 | -166.2 | -29 | 0 | 0 | 0 | 112.4 | I1050 L1051 Y1052 | N1048-I1050 PolarHBondContact O-N 3.38Å; N1048-I1050 WeakPolarHBondContact OD1-CB 3.36Å; N1048-I1050 PolarHBondContact OD1-N 3.39Å; N1048-I1050 VanDerWaalsContact OD1-N 3.17Å; N1048-L1051 HydrophobicContact CB-CB 4.28Å; N1048-L1051 HydrophobicContact CB-CD1 4.16Å; N1048-L1051 HydrophobicContact CB-CG 4.49Å; N1048-L1051 PolarHBondContact O-N 2.93Å; N1048-L1051 PolarHBondContact OD1-N 3.41Å; N1048-Y1052 PolarHBondContact O-N 3.35Å |
| 1049 | P | 71.9 | Confident | 59.4 | Low | 99 Ų | 99 | 127 Ų | 127 | 64% | 0.643 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -67.3 | -20.7 | -179 | 27.8 | -34.8 | 0 | 0 | 0 | 113.2 | Y1053 | P1049-Y1053 WeakPolarHBondContact O-CB 3.23Å; P1049-Y1053 PolarHBondContact O-N 3.06Å |
| 1050 | I | 73.4 | Confident | 60.1 | Low | 119 Ų | 119 | 126.7 Ų | 126.7 | 61% | 0.61 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -71.1 | -47.2 | 178.6 | -56.5 | 174.8 | 0 | 0 | 0 | 109.8 | N1048 Y1052 Y1053 M1054 | N1048-I1050 PolarHBondContact O-N 3.38Å; N1048-I1050 WeakPolarHBondContact OD1-CB 3.36Å; N1048-I1050 PolarHBondContact OD1-N 3.39Å; N1048-I1050 VanDerWaalsContact OD1-N 3.17Å; I1050-Y1052 VanDerWaalsContact C-N 3.32Å; I1050-Y1052 PolarHBondContact O-N 3.32Å; I1050-Y1053 PolarHBondContact O-N 3.49Å; I1050-M1054 HydrophobicContact CG2-SD 4.12Å; I1050-M1054 WeakPolarHBondContact O-CG 3.44Å; I1050-M1054 PolarHBondContact O-N 3.04Å |
| 1051 | L | 70.9 | Confident | 61 | Low | 75 Ų | 75 | 126.2 Ų | 126.2 | 39% | 0.393 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -59.3 | -42.6 | 174.2 | -82.5 | 173.1 | 0 | 0 | 0 | 111.8 | N1048 Y1053 M1054 L1055 | N1048-L1051 HydrophobicContact CB-CB 4.28Å; N1048-L1051 HydrophobicContact CB-CD1 4.16Å; N1048-L1051 HydrophobicContact CB-CG 4.49Å; N1048-L1051 PolarHBondContact O-N 2.93Å; N1048-L1051 PolarHBondContact OD1-N 3.41Å; L1051-Y1053 VanDerWaalsContact C-N 3.35Å; L1051-Y1053 PolarHBondContact O-N 3.44Å; L1051-M1054 PolarHBondContact O-N 3.25Å; L1051-L1055 WeakPolarHBondContact O-CB 3.32Å; L1051-L1055 VanDerWaalsContact O-CG 3.32Å; L1051-L1055 WeakPolarHBondContact O-CG 3.37Å; L1051-L1055 PolarHBondContact O-N 2.91Å |
| 1052 | Y | 77.3 | Confident | 62.6 | Low | 119 Ų | 119 | 127.5 Ų | 127.5 | 47% | 0.467 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -59.7 | -44 | 175.4 | -176.8 | -102.4 | 0 | 0 | 0 | 112.1 | N1048 I1050 L1055 Q1056 | N1048-Y1052 PolarHBondContact O-N 3.35Å; I1050-Y1052 VanDerWaalsContact C-N 3.32Å; I1050-Y1052 PolarHBondContact O-N 3.32Å; Y1052-L1055 PolarHBondContact O-N 2.88Å; Y1052-Q1056 PolarHBondContact O-N 3.36Å; Y1052-Q1056 VanDerWaalsContact O-N 3.12Å; Y1052-Q1056 PolarHBondContact OH-OE1 3.27Å |
| 1053 | Y | 76.2 | Confident | 63.9 | Low | 169 Ų | 169 | 129.1 Ų | 129.1 | 66% | 0.663 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -68.1 | -35.4 | 179.3 | -132.1 | -92.6 | 0 | 0 | 0 | 113.1 | P1049 I1050 L1051 K1057 | P1049-Y1053 WeakPolarHBondContact O-CB 3.23Å; P1049-Y1053 PolarHBondContact O-N 3.06Å; I1050-Y1053 PolarHBondContact O-N 3.49Å; L1051-Y1053 VanDerWaalsContact C-N 3.35Å; L1051-Y1053 PolarHBondContact O-N 3.44Å; Y1053-K1057 WeakPolarHBondContact O-CB 3.33Å; Y1053-K1057 PolarHBondContact O-N 2.91Å |
| 1054 | M | 76.9 | Confident | 64.7 | Low | 126 Ų | 126 | 123.8 Ų | 123.8 | 62% | 0.621 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -68.5 | -47.2 | 174.7 | -70 | 175.4 | 68.4 | 0 | 0 | 111.4 | I1050 L1051 Q1056 K1057 G1058 | I1050-M1054 HydrophobicContact CG2-SD 4.12Å; I1050-M1054 WeakPolarHBondContact O-CG 3.44Å; I1050-M1054 PolarHBondContact O-N 3.04Å; L1051-M1054 PolarHBondContact O-N 3.25Å; M1054-Q1056 PolarHBondContact O-N 3.42Å; M1054-K1057 PolarHBondContact O-N 3.47Å; M1054-G1058 PolarHBondContact O-N 3.41Å; M1054-G1058 VanDerWaalsContact O-N 3.08Å |
| 1055 | L | 76.1 | Confident | 65.5 | Low | 144 Ų | 144 | 124.6 Ų | 124.6 | 75% | 0.754 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -67.1 | -20.2 | -179.6 | -72.2 | 166.2 | 0 | 0 | 0 | 113.8 | L1051 Y1052 | L1051-L1055 WeakPolarHBondContact O-CB 3.32Å; L1051-L1055 VanDerWaalsContact O-CG 3.32Å; L1051-L1055 WeakPolarHBondContact O-CG 3.37Å; L1051-L1055 PolarHBondContact O-N 2.91Å; Y1052-L1055 PolarHBondContact O-N 2.88Å |
| 1056 | Q | 70.9 | Confident | 66.5 | Low | 128 Ų | 128 | 127.8 Ų | 127.8 | 60% | 0.598 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | 6.9 | 174 | -156.4 | 168.8 | 32.1 | 0 | 0 | 113.6 | Y1052 M1054 | Y1052-Q1056 PolarHBondContact O-N 3.36Å; Y1052-Q1056 VanDerWaalsContact O-N 3.12Å; Y1052-Q1056 PolarHBondContact OH-OE1 3.27Å; M1054-Q1056 PolarHBondContact O-N 3.42Å |
| 1057 | K | 57.1 | Low | 67.5 | Low | 167 Ų | 167 | 118.8 Ų | 118.8 | 73% | 0.726 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.2 | 0.5 | 178.9 | -73.8 | -63 | -174.3 | -175 | 0 | 115.7 | Y1053 M1054 | Y1053-K1057 WeakPolarHBondContact O-CB 3.33Å; Y1053-K1057 PolarHBondContact O-N 2.91Å; M1054-K1057 PolarHBondContact O-N 3.47Å |
| 1058 | G | 45.3 | Very low | 68.6 | Low | 135 Ų | 135 | 121.7 Ų | 121.7 | 100% | 1.392 | 65% | 0.652 | S | S | * | * | | | trans | -71 | 0 | 159.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | M1054 | M1054-G1058 PolarHBondContact O-N 3.41Å; M1054-G1058 VanDerWaalsContact O-N 3.08Å |