| 1 | M | 39.4 | Very low | 37.7 | Very low | 218 Ų | 218 | 154.7 Ų | 154.7 | 100% | 1.074 | 85% | 0.848 | S | S | * | * | | | | 0 | 98.9 | 0 | -50.5 | -36.1 | -169.6 | 0 | 0 | 107.7 | | |
| 2 | D | 40.6 | Very low | 37.7 | Very low | 144 Ų | 144 | 154.7 Ų | 154.7 | 77% | 0.77 | 85% | 0.846 | S | S | * | * | | | trans | 47.5 | 101 | 131.4 | -32.4 | -47.6 | 0 | 0 | 0 | 116.1 | | |
| 3 | N | 33.6 | Very low | 37.6 | Very low | 145 Ų | 145 | 155.7 Ų | 155.7 | 78% | 0.775 | 85% | 0.85 | S | S | * | * | | | cis | 64 | 82.2 | 13.7 | -165.1 | 17.1 | 0 | 0 | 0 | 115.3 | | |
| 4 | R | 38.8 | Very low | 37.6 | Very low | 210 Ų | 210 | 155.8 Ų | 155.8 | 79% | 0.792 | 85% | 0.848 | S | S | * | * | | | | 179.1 | 138.2 | 127.7 | -101.3 | 175.6 | 178.8 | -139.6 | -2.9 | 116.3 | | |
| 5 | L | 42.9 | Very low | 37.6 | Very low | 160 Ų | 160 | 158.1 Ų | 158.1 | 84% | 0.838 | 85% | 0.847 | S | S | * | * | | | trans | 65.1 | 134.8 | 145.3 | -59 | 167.2 | 0 | 0 | 0 | 120 | | |
| 6 | G | 37.7 | Very low | 37.6 | Very low | 80 Ų | 80 | 156.5 Ų | 156.5 | 83% | 0.825 | 85% | 0.848 | S | S | * | * | | | trans | 169 | 24.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | N8 | G6-N8 PolarHBondContact O-N 3.16Š|
| 7 | L | 36.8 | Very low | 37.6 | Very low | 167 Ų | 167 | 160.9 Ų | 160.9 | 87% | 0.874 | 85% | 0.85 | S | S | * | * | | | trans | -72 | 125.3 | 174.5 | -71.9 | 168.3 | 0 | 0 | 0 | 110.6 | | |
| 8 | N | 36.9 | Very low | 37.6 | Very low | 157 Ų | 157 | 158.2 Ų | 158.2 | 84% | 0.84 | 85% | 0.846 | S | S | * | * | | | trans | 178.5 | 168.7 | 139.1 | -94.3 | -30.7 | 0 | 0 | 0 | 113.9 | G6 | G6-N8 PolarHBondContact O-N 3.16Š|
| 9 | S | 34.4 | Very low | 37.5 | Very low | 117 Ų | 117 | 158.8 Ų | 158.8 | 82% | 0.818 | 85% | 0.848 | S | S | * | * | | | trans | 52.1 | 76.1 | 163.2 | 60.7 | 0 | 0 | 0 | 0 | 118.4 | | |
| 10 | A | 37.8 | Very low | 37.4 | Very low | 101 Ų | 101 | 156.7 Ų | 156.7 | 84% | 0.835 | 85% | 0.846 | S | S | * | * | | | trans | -118.8 | 53.8 | 153.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 11 | F | 35.6 | Very low | 37.3 | Very low | 203 Ų | 203 | 154 Ų | 154 | 89% | 0.89 | 84% | 0.84 | S | S | * | * | | | trans | -147.7 | 38.5 | -169.6 | -114.5 | -70.1 | 0 | 0 | 0 | 114.5 | | |
| 12 | D | 37.3 | Very low | 37.2 | Very low | 154 Ų | 154 | 149.3 Ų | 149.3 | 82% | 0.824 | 83% | 0.827 | S | S | * | * | | | trans | -147.8 | 102 | 169.8 | -103.6 | -45.4 | 0 | 0 | 0 | 109.9 | | |
| 13 | N | 37.2 | Very low | 37 | Very low | 168 Ų | 168 | 149.9 Ų | 149.9 | 90% | 0.898 | 83% | 0.828 | S | S | * | * | | | trans | -169.8 | 32.3 | 168.3 | -106.7 | -33.8 | 0 | 0 | 0 | 114.7 | | |
| 14 | L | 37.4 | Very low | 37.4 | Very low | 157 Ų | 157 | 149 Ų | 149 | 82% | 0.822 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -137.5 | 31.7 | 178.5 | -89.8 | -176.6 | 0 | 0 | 0 | 115.4 | | |
| 15 | F | 38 | Very low | 37.1 | Very low | 190 Ų | 190 | 145.3 Ų | 145.3 | 83% | 0.833 | 82% | 0.824 | S | S | * | * | | | trans | -140.3 | 127 | 162.4 | -86.7 | -79 | 0 | 0 | 0 | 111.3 | R17 | F15-R17 PolarHBondContact O-N 3.26Š|
| 16 | P | 37.3 | Very low | 36.7 | Very low | 133 Ų | 133 | 143.9 Ų | 143.9 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | | | trans | -72.2 | 94.3 | 167.8 | 30.3 | -32.2 | 0 | 0 | 0 | 108.9 | | |
| 17 | R | 38.4 | Very low | 36.9 | Very low | 232 Ų | 232 | 145 Ų | 145 | 88% | 0.875 | 82% | 0.82 | S | S | * | * | | | trans | -75.7 | 136.1 | 165.8 | -76.4 | -170.8 | 172.7 | -141.7 | 1.7 | 109.3 | F15 | F15-R17 PolarHBondContact O-N 3.26Š|
| 18 | S | 37.4 | Very low | 37 | Very low | 111 Ų | 111 | 143 Ų | 143 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | | | trans | -57.5 | 135.5 | 173.1 | 50.3 | 0 | 0 | 0 | 0 | 111.7 | S20 | S18-S20 PolarHBondContact O-N 3.19Å; S18-S20 VanDerWaalsContact O-N 3.16Å |
| 19 | L | 35.8 | Very low | 37.2 | Very low | 171 Ų | 171 | 141.6 Ų | 141.6 | 90% | 0.895 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -66.2 | 109.2 | 166.5 | -74.3 | 167.4 | 0 | 0 | 0 | 109.8 | | |
| 20 | S | 34.4 | Very low | 37.3 | Very low | 115 Ų | 115 | 143.5 Ų | 143.5 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | trans | -164.5 | 93.1 | 162.5 | -101.5 | 0 | 0 | 0 | 0 | 108 | S18 | S18-S20 PolarHBondContact O-N 3.19Å; S18-S20 VanDerWaalsContact O-N 3.16Å |
| 21 | S | 35.1 | Very low | 37.5 | Very low | 101 Ų | 101 | 142.1 Ų | 142.1 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | | | trans | -139.8 | 68.4 | -172.2 | 62.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 22 | C | 37.3 | Very low | 37.6 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | | | trans | -150.4 | 83.7 | 157.5 | 51.5 | 0 | 0 | 0 | 0 | 106.7 | | |
| 23 | I | 37.3 | Very low | 37.6 | Very low | 155 Ų | 155 | 144.5 Ų | 144.5 | 80% | 0.795 | 78% | 0.781 | S | S | * | * | | | | 52.7 | 91.5 | 79.9 | -52.3 | 177.1 | 0 | 0 | 0 | 111.9 | | |
| 24 | T | 40.9 | Very low | 37.6 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | | | trans | -158.8 | 132 | 133 | 27.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 25 | N | 34 | Very low | 37.6 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | | | trans | 43.5 | 107.3 | 153.9 | -60.2 | -8.5 | 0 | 0 | 0 | 120.9 | S27 | N25-S27 PolarHBondContact O-N 2.72Å; N25-S27 VanDerWaalsContact O-N 3.09Å |
| 26 | P | 34.2 | Very low | 37.6 | Very low | 131 Ų | 131 | 141 Ų | 141 | 85% | 0.851 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -80.2 | 82.1 | 164.8 | 34.2 | -33 | 0 | 0 | 0 | 111.3 | | |
| 27 | S | 40.8 | Very low | 37.7 | Very low | 102 Ų | 102 | 142.4 Ų | 142.4 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | | | trans | -140.5 | 20.1 | 175.4 | 69 | 0 | 0 | 0 | 0 | 114.3 | N25 | N25-S27 PolarHBondContact O-N 2.72Å; N25-S27 VanDerWaalsContact O-N 3.09Å |
| 28 | H | 40.2 | Very low | 37.7 | Very low | 127 Ų | 127 | 135.4 Ų | 135.4 | 59% | 0.588 | 74% | 0.743 | S | S | * | * | | | trans | -147.5 | 48 | -175 | -158.5 | -86 | 0 | 0 | 0 | 112.6 | | |
| 29 | V | 39.8 | Very low | 37.7 | Very low | 127 Ų | 127 | 137.8 Ų | 137.8 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | | | trans | -125 | 37.5 | -173.6 | -157.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 30 | D | 36.3 | Very low | 37.7 | Very low | 156 Ų | 156 | 137.1 Ų | 137.1 | 83% | 0.834 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -126.5 | -15.7 | 171.1 | -83.7 | -60 | 0 | 0 | 0 | 114.1 | | |
| 31 | T | 43.6 | Very low | 37.8 | Very low | 72 Ų | 72 | 138.5 Ų | 138.5 | 44% | 0.442 | 74% | 0.743 | S | S | . | * | S | Bend | trans | -79.6 | -41.8 | -176 | -38.5 | 0 | 0 | 0 | 0 | 113.6 | R33 S34 | T31-R33 PolarHBondContact O-N 2.92Å; T31-S34 PolarHBondContact O-N 2.96Å |
| 32 | F | 36.6 | Very low | 37.7 | Very low | 168 Ų | 168 | 141 Ų | 141 | 74% | 0.737 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 15.4 | -166.8 | -91.8 | -74.4 | 0 | 0 | 0 | 116.3 | | |
| 33 | R | 37.9 | Very low | 37.5 | Very low | 240 Ų | 240 | 143.4 Ų | 143.4 | 91% | 0.906 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.1 | 2.1 | 177.5 | -150.8 | 171.2 | -177.3 | 178.7 | 0.3 | 114.6 | T31 | T31-R33 PolarHBondContact O-N 2.92Š|
| 34 | S | 37.1 | Very low | 37.3 | Very low | 82 Ų | 82 | 143 Ų | 143 | 57% | 0.573 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | -32.5 | -180 | -58.6 | 0 | 0 | 0 | 0 | 113.4 | T31 W36 | T31-S34 PolarHBondContact O-N 2.96Å; S34-W36 PolarHBondContact O-N 2.76Å |
| 35 | E | 37.5 | Very low | 36.9 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 51% | 0.505 | 75% | 0.753 | S | S | . | * | G | 310 helix | trans | -73.7 | -32 | -167.7 | -62.7 | 175.6 | 134.7 | 0 | 0 | 113.7 | N37 S38 | E35-N37 PolarHBondContact O-N 3.29Å; E35-S38 PolarHBondContact O-N 2.91Å; E35-S38 VanDerWaalsContact O-N 3.08Å |
| 36 | W | 37.5 | Very low | 36.8 | Very low | 252 Ų | 252 | 143.7 Ų | 143.7 | 96% | 0.955 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -71.1 | 0.2 | -178.2 | -133.2 | 66 | 0 | 0 | 0 | 114.8 | S34 | S34-W36 PolarHBondContact O-N 2.76Š|
| 37 | N | 39 | Very low | 36.8 | Very low | 162 Ų | 162 | 144.6 Ų | 144.6 | 87% | 0.866 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -117.7 | 3.1 | 172.3 | -101.2 | -25.6 | 0 | 0 | 0 | 113.5 | E35 | E35-N37 PolarHBondContact O-N 3.29Š|
| 38 | S | 38.6 | Very low | 36.3 | Very low | 85 Ų | 85 | 145 Ų | 145 | 59% | 0.594 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | -17.1 | 178 | -63.2 | 0 | 0 | 0 | 0 | 113.7 | E35 N40 | E35-S38 PolarHBondContact O-N 2.91Å; E35-S38 VanDerWaalsContact O-N 3.08Å; S38-N40 PolarHBondContact O-N 2.71Å; S38-N40 VanDerWaalsContact O-N 3.12Å |
| 39 | N | 37.6 | Very low | 36.2 | Very low | 161 Ų | 161 | 145 Ų | 145 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | 16.3 | -170.8 | -117.8 | 21.2 | 0 | 0 | 0 | 115.8 | | |
| 40 | N | 36.3 | Very low | 36.1 | Very low | 157 Ų | 157 | 146.6 Ų | 146.6 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.4 | 19.4 | 179.3 | -132.7 | 2.3 | 0 | 0 | 0 | 113.4 | S38 | S38-N40 PolarHBondContact O-N 2.71Å; S38-N40 VanDerWaalsContact O-N 3.12Å |
| 41 | N | 35.8 | Very low | 36 | Very low | 143 Ų | 143 | 146.1 Ų | 146.1 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -152.3 | 80.7 | 172.3 | -90.6 | -57.8 | 0 | 0 | 0 | 110.1 | | |
| 42 | N | 33.2 | Very low | 35.8 | Very low | 155 Ų | 155 | 147.6 Ų | 147.6 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | | | trans | -175.2 | 58.7 | 156.1 | -97.4 | -22.1 | 0 | 0 | 0 | 113.4 | N44 | N42-N44 VanDerWaalsContact C-N 3.34Å; N42-N44 PolarHBondContact O-N 3.44Å |
| 43 | N | 33 | Very low | 35.9 | Very low | 170 Ų | 170 | 148.5 Ų | 148.5 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | | | trans | -92.8 | 66.8 | 161.8 | -98.1 | -17.1 | 0 | 0 | 0 | 110.3 | | |
| 44 | N | 33.5 | Very low | 36 | Very low | 147 Ų | 147 | 141.7 Ų | 141.7 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | | | trans | -165.9 | 162.2 | 161.4 | -115.4 | -45.4 | 0 | 0 | 0 | 112.9 | N42 | N42-N44 VanDerWaalsContact C-N 3.34Å; N42-N44 PolarHBondContact O-N 3.44Å |
| 45 | S | 32.3 | Very low | 36 | Very low | 112 Ų | 112 | 144.3 Ų | 144.3 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | | | trans | 59 | 85.6 | 175.8 | 57.7 | 0 | 0 | 0 | 0 | 117.4 | | |
| 46 | N | 31.8 | Very low | 36 | Very low | 160 Ų | 160 | 144.8 Ų | 144.8 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | | | trans | -119.3 | 108.4 | 152 | -116.2 | -24.5 | 0 | 0 | 0 | 109 | | |
| 47 | T | 35.5 | Very low | 36.1 | Very low | 151 Ų | 151 | 138.4 Ų | 138.4 | 93% | 0.926 | 78% | 0.783 | S | S | * | * | | | trans | 169.1 | 141.7 | 135.6 | 31.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 48 | S | 30.3 | Very low | 35.9 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | trans | -126.2 | 136.7 | -172.8 | 174.2 | 0 | 0 | 0 | 0 | 111 | | |
| 49 | T | 37.4 | Very low | 36 | Very low | 127 Ų | 127 | 137.5 Ų | 137.5 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | | | trans | -156.5 | 109.3 | 151.4 | 29.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 50 | Q | 38 | Very low | 35.9 | Very low | 160 Ų | 160 | 137.2 Ų | 137.2 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | | 64.3 | 124 | 128.3 | -66.3 | -168.6 | 21.5 | 0 | 0 | 123.4 | | |
| 51 | N | 34.5 | Very low | 36 | Very low | 145 Ų | 145 | 134.4 Ų | 134.4 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | | | trans | 90.1 | 151.1 | 132.7 | -63.3 | -15.7 | 0 | 0 | 0 | 122.5 | | |
| 52 | A | 38.4 | Very low | 36.1 | Very low | 104 Ų | 104 | 134.6 Ų | 134.6 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | | | trans | 80.2 | 118.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 53 | Q | 38.9 | Very low | 36.4 | Very low | 187 Ų | 187 | 134.1 Ų | 134.1 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | | | trans | -89.3 | -174.2 | 167.8 | -64.4 | -172.3 | -72.5 | 0 | 0 | 111 | | |
| 54 | P | 40.8 | Very low | 36.6 | Very low | 97 Ų | 97 | 132.4 Ų | 132.4 | 63% | 0.63 | 76% | 0.762 | S | S | * | * | | | | -137 | -164.4 | -57.5 | 40 | -23.1 | 0 | 0 | 0 | 112.8 | | |
| 55 | N | 35.6 | Very low | 36.8 | Very low | 136 Ų | 136 | 130.4 Ų | 130.4 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | trans | 87.3 | 142.9 | 144.4 | -92.5 | 1.9 | 0 | 0 | 0 | 122.8 | | |
| 56 | N | 37.9 | Very low | 37 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 63% | 0.631 | 76% | 0.757 | S | S | * | * | | | trans | 82 | 107 | 144.2 | -70.4 | -1.2 | 0 | 0 | 0 | 122.4 | | |
| 57 | N | 39.2 | Very low | 37.1 | Very low | 118 Ų | 118 | 131.7 Ų | 131.7 | 63% | 0.631 | 75% | 0.754 | S | S | * | * | | | | 89.5 | 116.6 | 116.2 | -65.3 | -8.6 | 0 | 0 | 0 | 122.4 | | |
| 58 | N | 35.5 | Very low | 37.3 | Very low | 160 Ų | 160 | 129.7 Ų | 129.7 | 86% | 0.856 | 74% | 0.743 | S | S | * | * | | | | 74.9 | 141.6 | 129.6 | -57.1 | -13.5 | 0 | 0 | 0 | 120.8 | | |
| 59 | G | 40.5 | Very low | 37.5 | Very low | 69 Ų | 69 | 131.3 Ų | 131.3 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | | | trans | 134.1 | 70.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 60 | N | 35.5 | Very low | 37.5 | Very low | 155 Ų | 155 | 132.1 Ų | 132.1 | 83% | 0.829 | 74% | 0.737 | S | S | * | * | | | | 41 | 112.2 | 90.5 | -75.5 | -9.1 | 0 | 0 | 0 | 115.2 | | |
| 61 | S | 38 | Very low | 37.3 | Very low | 98 Ų | 98 | 131.9 Ų | 131.9 | 69% | 0.685 | 74% | 0.736 | S | S | * | * | | | | 162.8 | 136 | 104.7 | -85.3 | 0 | 0 | 0 | 0 | 115.3 | | |
| 62 | L | 38.2 | Very low | 37.4 | Very low | 146 Ų | 146 | 130.1 Ų | 130.1 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | | | trans | 66.6 | 141.6 | 136.3 | -61.4 | 174.5 | 0 | 0 | 0 | 118.9 | | |
| 63 | Q | 39.2 | Very low | 37 | Very low | 146 Ų | 146 | 132.9 Ų | 132.9 | 68% | 0.682 | 74% | 0.735 | S | S | * | * | | | cis | -169 | 175 | -10.3 | -144.6 | -179.7 | 23.6 | 0 | 0 | 110.9 | | |
| 64 | L | 37.4 | Very low | 37.1 | Very low | 134 Ų | 134 | 130.5 Ų | 130.5 | 70% | 0.702 | 73% | 0.734 | S | S | * | * | | | trans | 69.4 | 138.8 | 153.4 | -64.4 | 165.2 | 0 | 0 | 0 | 118.9 | | |
| 65 | T | 37.3 | Very low | 36.7 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 64% | 0.638 | 74% | 0.738 | S | S | * | * | | | cis | -167.9 | 170.3 | -27.8 | 2.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 66 | N | 37.6 | Very low | 36.8 | Very low | 152 Ų | 152 | 135.1 Ų | 135.1 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | | | trans | 80.1 | 100.8 | 153.1 | -62.5 | -12.4 | 0 | 0 | 0 | 120.2 | | |
| 67 | N | 32.7 | Very low | 36.4 | Very low | 147 Ų | 147 | 135.6 Ų | 135.6 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | | | trans | -91 | 166 | 150.6 | -154.6 | -13.6 | 0 | 0 | 0 | 108.1 | | |
| 68 | P | 40.7 | Very low | 36.1 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 71% | 0.708 | 76% | 0.761 | S | S | * | * | | | | -155.6 | 157.5 | 95.4 | 39.2 | -20.9 | 0 | 0 | 0 | 118 | | |
| 69 | Q | 34.6 | Very low | 35.9 | Very low | 146 Ų | 146 | 141.3 Ų | 141.3 | 68% | 0.682 | 76% | 0.762 | S | S | * | * | | | trans | 32 | 142.8 | 138.9 | -55.9 | -165 | 13.1 | 0 | 0 | 120.9 | | |
| 70 | L | 37.5 | Very low | 35.7 | Very low | 144 Ų | 144 | 146.6 Ų | 146.6 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | | | | -163.5 | 161.2 | 67.5 | -81.5 | 158 | 0 | 0 | 0 | 114.2 | | |
| 71 | H | 33.1 | Very low | 35.6 | Very low | 154 Ų | 154 | 145 Ų | 145 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | | | trans | -32.9 | 163.2 | 163.1 | -44 | 87 | 0 | 0 | 0 | 116.5 | | |
| 72 | S | 37.6 | Very low | 35.2 | Very low | 109 Ų | 109 | 145.3 Ų | 145.3 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | | | cis | -157.8 | 170 | 33.2 | 57.7 | 0 | 0 | 0 | 0 | 115.7 | | |
| 73 | N | 29.4 | Very low | 35 | Very low | 162 Ų | 162 | 145.6 Ų | 145.6 | 87% | 0.866 | 77% | 0.77 | S | S | * | * | | | trans | -84.6 | 145 | 170.9 | -62.5 | -60.3 | 0 | 0 | 0 | 112 | | |
| 74 | T | 41.1 | Very low | 34.4 | Very low | 136 Ų | 136 | 143 Ų | 143 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | | | trans | -143.9 | 121 | 150.8 | -33.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 75 | Q | 31.7 | Very low | 34.2 | Very low | 156 Ų | 156 | 142.6 Ų | 142.6 | 73% | 0.729 | 77% | 0.771 | S | S | * | * | | | trans | -79.5 | 149.2 | 163 | -61.2 | -178.4 | 11.7 | 0 | 0 | 109.5 | | |
| 76 | L | 37.8 | Very low | 33.7 | Very low | 175 Ų | 175 | 142.6 Ų | 142.6 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | | | trans | -141.2 | 130.3 | 136.2 | -83.9 | -172.7 | 0 | 0 | 0 | 110.9 | | |
| 77 | N | 29 | Very low | 33.6 | Very low | 128 Ų | 128 | 142.2 Ų | 142.2 | 68% | 0.684 | 77% | 0.772 | S | S | * | * | | | trans | -78.8 | 145.9 | 166.3 | -84.4 | -92.9 | 0 | 0 | 0 | 109.9 | | |
| 78 | L | 34.8 | Very low | 33.6 | Very low | 166 Ų | 166 | 140.7 Ų | 140.7 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | | | trans | -168 | 96.3 | 141.1 | -125.1 | 66 | 0 | 0 | 0 | 107 | | |
| 79 | R | 31.2 | Very low | 33.2 | Very low | 231 Ų | 231 | 142.4 Ų | 142.4 | 87% | 0.872 | 76% | 0.763 | S | S | * | * | | | | 75.6 | 115.5 | 72 | -165.3 | -179.5 | -166.2 | -140.2 | 4.2 | 112.4 | | |
| 80 | Q | 35.3 | Very low | 33.3 | Very low | 181 Ų | 181 | 143.9 Ų | 143.9 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | | | trans | -61.8 | 163.9 | 174.6 | -65.3 | -179 | -17.3 | 0 | 0 | 112.3 | | |
| 81 | P | 33.9 | Very low | 33.1 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | | | | -139.6 | 161.4 | 109.8 | 39.2 | -29.2 | 0 | 0 | 0 | 115.3 | | |
| 82 | S | 28.9 | Very low | 33.1 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | | | trans | -90.4 | 128.6 | 168.8 | 52.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 83 | L | 33.5 | Very low | 33.1 | Very low | 152 Ų | 152 | 141.9 Ų | 141.9 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | | | trans | -156.6 | 135.7 | 151.9 | -80.9 | 113.1 | 0 | 0 | 0 | 106.6 | | |
| 84 | S | 27.1 | Very low | 33.1 | Very low | 93 Ų | 93 | 140.3 Ų | 140.3 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | | | cis | 78.6 | 85.7 | 31.4 | 83.6 | 0 | 0 | 0 | 0 | 115.6 | | |
| 85 | T | 33.7 | Very low | 32.7 | Very low | 125 Ų | 125 | 141.6 Ų | 141.6 | 77% | 0.767 | 76% | 0.764 | S | S | * | * | | | trans | -177.9 | 104.8 | 154.2 | -72.2 | 0 | 0 | 0 | 0 | 105 | | |
| 86 | C | 27 | Very low | 32.5 | Very low | 104 Ų | 104 | 139.4 Ų | 139.4 | 70% | 0.703 | 77% | 0.766 | S | S | * | * | | | | 88.7 | 144.6 | 63.4 | -68.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 87 | N | 34.4 | Very low | 32.3 | Very low | 144 Ų | 144 | 137.4 Ų | 137.4 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | | | trans | 78.2 | 138.7 | 173.1 | -45.2 | -11.3 | 0 | 0 | 0 | 116.6 | | |
| 88 | N | 33.4 | Very low | 32.2 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 61% | 0.61 | 76% | 0.764 | S | S | * | * | | | cis | -156.5 | 152.2 | -14 | -117.9 | 21.2 | 0 | 0 | 0 | 110.4 | | |
| 89 | E | 32.6 | Very low | 31.9 | Very low | 145 Ų | 145 | 134.2 Ų | 134.2 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | | | trans | 51.4 | 141.8 | 143.9 | -58 | 163.9 | 136.9 | 0 | 0 | 120.3 | | |
| 90 | F | 35.7 | Very low | 32.1 | Very low | 177 Ų | 177 | 128.6 Ų | 128.6 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | | | cis | -142.8 | 137 | 28.1 | -118 | -83.2 | 0 | 0 | 0 | 113.4 | | |
| 91 | S | 34.6 | Very low | 31.7 | Very low | 87 Ų | 87 | 132 Ų | 132 | 61% | 0.608 | 76% | 0.763 | S | S | * | * | | | trans | 47.9 | 119.7 | 146.5 | 63.8 | 0 | 0 | 0 | 0 | 123.5 | | |
| 92 | N | 32.8 | Very low | 31.7 | Very low | 157 Ų | 157 | 130.6 Ų | 130.6 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | | | trans | 105.8 | 142.4 | 131.6 | -65.2 | -9.3 | 0 | 0 | 0 | 119.8 | | |
| 93 | P | 37.1 | Very low | 32 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | | | trans | -116.7 | 161.9 | -131.1 | 40.4 | -32.3 | 0 | 0 | 0 | 116.3 | | |
| 94 | T | 30.1 | Very low | 32 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | | | trans | -72.7 | 141.8 | 172.2 | 50.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 95 | I | 32.7 | Very low | 32.3 | Very low | 164 Ų | 164 | 135.8 Ų | 135.8 | 84% | 0.841 | 78% | 0.779 | S | S | * | * | | | trans | -126.5 | 122.1 | 134.2 | -62.9 | -176.9 | 0 | 0 | 0 | 107.5 | V97 | I95-V97 HydrophobicContact CG2-CG2 4.31Š|
| 96 | S | 27.9 | Very low | 32.2 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | | | trans | -95 | 130.2 | 174.4 | 48.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 97 | V | 32.4 | Very low | 32.3 | Very low | 134 Ų | 134 | 133.5 Ų | 133.5 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | | | trans | -130.6 | 130.1 | 165.8 | -176.7 | 0 | 0 | 0 | 0 | 109 | I95 | I95-V97 HydrophobicContact CG2-CG2 4.31Š|
| 98 | S | 27.7 | Very low | 32.3 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | | | trans | -92.7 | 144 | -174.2 | -57.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 99 | S | 28.6 | Very low | 32.1 | Very low | 118 Ų | 118 | 135.2 Ų | 135.2 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | | | trans | 75.1 | 172.3 | 155.7 | -155.7 | 0 | 0 | 0 | 0 | 118.6 | | |
| 100 | S | 34.8 | Very low | 32.3 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | | | trans | 81.4 | 135.2 | 168.8 | -59.6 | 0 | 0 | 0 | 0 | 118.4 | | |
| 101 | R | 27.1 | Very low | 32.1 | Very low | 252 Ų | 252 | 133.5 Ų | 133.5 | 95% | 0.951 | 80% | 0.799 | S | S | * | * | | | trans | -96.8 | 118.5 | -179.8 | -62 | 151.2 | 65.4 | -174.9 | 4 | 108.9 | | |
| 102 | A | 34.3 | Very low | 32.1 | Very low | 90 Ų | 90 | 137.5 Ų | 137.5 | 74% | 0.744 | 81% | 0.813 | S | S | * | * | | | trans | -154.4 | 126.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 103 | N | 33.9 | Very low | 31.9 | Very low | 153 Ų | 153 | 134.7 Ų | 134.7 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | 14.2 | 107.3 | 145.4 | -51.9 | -10.9 | 0 | 0 | 0 | 118.4 | L105 | N103-L105 PolarHBondContact O-N 3.44Š|
| 104 | V | 34.2 | Very low | 31.8 | Very low | 141 Ų | 141 | 136.6 Ų | 136.6 | 86% | 0.855 | 81% | 0.809 | S | S | * | * | | | trans | -82.7 | 94.3 | 155.4 | -179.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 105 | L | 34.3 | Very low | 31.8 | Very low | 165 Ų | 165 | 136.5 Ų | 136.5 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | | | trans | -119.6 | 87.6 | 156.4 | -83.4 | 174.8 | 0 | 0 | 0 | 107.2 | N103 | N103-L105 PolarHBondContact O-N 3.44Š|
| 106 | A | 31.7 | Very low | 31.9 | Very low | 91 Ų | 91 | 135 Ų | 135 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | | | trans | -85.2 | 122.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 107 | A | 28.8 | Very low | 32 | Very low | 91 Ų | 91 | 135.9 Ų | 135.9 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | | | trans | -73.3 | 133.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 108 | A | 33.9 | Very low | 32.1 | Very low | 100 Ų | 100 | 135.8 Ų | 135.8 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | | | trans | -115.8 | 78.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | F110 | A108-F110 PolarHBondContact O-N 2.86Š|
| 109 | F | 28.6 | Very low | 32.3 | Very low | 193 Ų | 193 | 138.4 Ų | 138.4 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | | | trans | -69.3 | 108.5 | 160.6 | -83.5 | -89.8 | 0 | 0 | 0 | 108.3 | | |
| 110 | F | 37.1 | Very low | 32.4 | Very low | 211 Ų | 211 | 138.3 Ų | 138.3 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | | | trans | -141 | 138.7 | 149.6 | -96.6 | -71.9 | 0 | 0 | 0 | 109.8 | A108 | A108-F110 PolarHBondContact O-N 2.86Š|
| 111 | A | 32.2 | Very low | 32.3 | Very low | 75 Ų | 75 | 139.6 Ų | 139.6 | 62% | 0.62 | 79% | 0.791 | S | S | * | * | | | trans | -75.2 | 153.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 112 | N | 34.7 | Very low | 32.4 | Very low | 171 Ų | 171 | 132.3 Ų | 132.3 | 91% | 0.914 | 78% | 0.778 | S | S | * | * | | | trans | -138.3 | 96.1 | 133.2 | -95.2 | -45.5 | 0 | 0 | 0 | 108.1 | | |
| 113 | S | 28.4 | Very low | 32.3 | Very low | 99 Ų | 99 | 135.7 Ų | 135.7 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | | | trans | -64.4 | 133.5 | 160.5 | -54.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 114 | L | 33.8 | Very low | 32 | Very low | 161 Ų | 161 | 134.1 Ų | 134.1 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | | | trans | -155.7 | 86.1 | 131.2 | -133.2 | 72.6 | 0 | 0 | 0 | 109.6 | | |
| 115 | T | 31.2 | Very low | 32 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | | | trans | -71.1 | 130.4 | 153.7 | 47 | 0 | 0 | 0 | 0 | 108.1 | | |
| 116 | D | 33.4 | Very low | 32.1 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | | | trans | -143.6 | 116 | 157.5 | -121 | -40.8 | 0 | 0 | 0 | 110.6 | | |
| 117 | T | 30.1 | Very low | 32.3 | Very low | 126 Ų | 126 | 139.7 Ų | 139.7 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | | | trans | -124.9 | 95.6 | -179.7 | 51.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 118 | N | 34.8 | Very low | 32.8 | Very low | 132 Ų | 132 | 141.3 Ų | 141.3 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | | | trans | -139.1 | 113.7 | 167.2 | -75.2 | -65.6 | 0 | 0 | 0 | 107.1 | | |
| 119 | Q | 32.2 | Very low | 32.9 | Very low | 165 Ų | 165 | 139.2 Ų | 139.2 | 77% | 0.771 | 75% | 0.754 | S | S | * | * | | | | 70.6 | 110 | 71.9 | -73.7 | -156 | 9.5 | 0 | 0 | 114.9 | | |
| 120 | T | 31.8 | Very low | 33.4 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | | | trans | 71.6 | 154.3 | 150.6 | 67.4 | 0 | 0 | 0 | 0 | 120.2 | | |
| 121 | N | 31.3 | Very low | 33.5 | Very low | 141 Ų | 141 | 134 Ų | 134 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | | | trans | 58.2 | 100.1 | 160.4 | -59.5 | -14.2 | 0 | 0 | 0 | 117.1 | | |
| 122 | S | 29.1 | Very low | 33.7 | Very low | 98 Ų | 98 | 137 Ų | 137 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | | | | 82 | 142.3 | 67.3 | 74.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 123 | Q | 32.1 | Very low | 33.7 | Very low | 162 Ų | 162 | 134.9 Ų | 134.9 | 76% | 0.757 | 74% | 0.742 | S | S | * | * | | | trans | 81.5 | 102.6 | 165.6 | -58.6 | -86.6 | -46.8 | 0 | 0 | 118.2 | | |
| 124 | I | 29.5 | Very low | 34 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 62% | 0.615 | 75% | 0.748 | S | S | * | * | | | | 67.6 | 149 | 116.8 | -32.8 | -168 | 0 | 0 | 0 | 117.7 | | |
| 125 | Y | 34.1 | Very low | 34.1 | Very low | 192 Ų | 192 | 136.6 Ų | 136.6 | 75% | 0.753 | 74% | 0.739 | S | S | * | * | | | trans | 78.6 | 139.4 | 171.4 | -63.7 | -90 | 0 | 0 | 0 | 116.3 | | |
| 126 | Q | 35.1 | Very low | 34.3 | Very low | 168 Ų | 168 | 133.8 Ų | 133.8 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | | | cis | -158.2 | 160.3 | -27.4 | -134.5 | 177.6 | 13.2 | 0 | 0 | 109 | | |
| 127 | N | 35.5 | Very low | 34.4 | Very low | 153 Ų | 153 | 132.7 Ų | 132.7 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | | | trans | -117 | 140.5 | -177.5 | -141.5 | -8.5 | 0 | 0 | 0 | 110 | | |
| 128 | P | 39.1 | Very low | 34.8 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 81% | 0.812 | 74% | 0.738 | S | S | * | * | | | | -146 | 164.4 | 120.2 | 37.2 | -22.3 | 0 | 0 | 0 | 113.7 | | |
| 129 | G | 37.7 | Very low | 34.7 | Very low | 56 Ų | 56 | 133.5 Ų | 133.5 | 58% | 0.577 | 74% | 0.735 | S | S | * | * | | | cis | 174.3 | -158 | 2.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 130 | F | 37.9 | Very low | 34.6 | Very low | 207 Ų | 207 | 132.1 Ų | 132.1 | 91% | 0.908 | 73% | 0.731 | S | S | * | * | | | trans | 69.4 | 132.9 | -177.1 | -55.8 | -76.6 | 0 | 0 | 0 | 115 | | |
| 131 | S | 38.9 | Very low | 34.7 | Very low | 87 Ų | 87 | 133 Ų | 133 | 61% | 0.608 | 74% | 0.737 | S | S | * | * | | | cis | 157.7 | 141.2 | -10.5 | 44.5 | 0 | 0 | 0 | 0 | 104.6 | | |
| 132 | N | 36.7 | Very low | 34.7 | Very low | 138 Ų | 138 | 131.3 Ų | 131.3 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | | | cis | -158.7 | 153.7 | 12.1 | -96.3 | -18.8 | 0 | 0 | 0 | 110.5 | | |
| 133 | T | 35.7 | Very low | 34.9 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | | | trans | 56.2 | 144.6 | 148.8 | 56.6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 134 | F | 34.1 | Very low | 34.8 | Very low | 188 Ų | 188 | 132.6 Ų | 132.6 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | | | cis | -168 | 150.5 | 21.8 | -156.8 | -110.1 | 0 | 0 | 0 | 107.9 | | |
| 135 | T | 36.4 | Very low | 35 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 66% | 0.663 | 76% | 0.762 | S | S | * | * | | | cis | -161.9 | 152.8 | -29.8 | 35.1 | 0 | 0 | 0 | 0 | 107.9 | | |
| 136 | G | 35.7 | Very low | 34.9 | Very low | 67 Ų | 67 | 132.6 Ų | 132.6 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | | | trans | 107.9 | 107.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 137 | S | 35.3 | Very low | 34.9 | Very low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | | | | 72 | 129 | 58.8 | -58.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 138 | M | 36.9 | Very low | 34.7 | Very low | 156 Ų | 156 | 132.1 Ų | 132.1 | 77% | 0.768 | 77% | 0.766 | S | S | * | * | | | cis | -167.2 | 162.3 | -2.3 | -98.9 | -170.5 | -68.3 | 0 | 0 | 107 | | |
| 139 | N | 32.9 | Very low | 34.6 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | | | cis | -161.5 | 165 | -5.4 | -119.7 | -5.1 | 0 | 0 | 0 | 112.4 | | |
| 140 | I | 31 | Very low | 34.7 | Very low | 136 Ų | 136 | 138.6 Ų | 138.6 | 70% | 0.697 | 77% | 0.774 | S | S | * | * | | | trans | 13.3 | 126.4 | 135.8 | -44.4 | 167.4 | 0 | 0 | 0 | 116 | | |
| 141 | T | 34.4 | Very low | 34.3 | Very low | 134 Ų | 134 | 135.2 Ų | 135.2 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | | | | -162.9 | 153.9 | 65.2 | -37.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 142 | S | 30.1 | Very low | 34.4 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | | | trans | -97.1 | 154.8 | 172.4 | 54.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 143 | S | 34.1 | Very low | 34.2 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | | | trans | -171.5 | 135.8 | 137.2 | 42.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 144 | N | 29.5 | Very low | 34.3 | Very low | 168 Ų | 168 | 138.2 Ų | 138.2 | 90% | 0.898 | 78% | 0.777 | S | S | * | * | | | trans | -84 | 139.8 | 165.2 | -74.3 | -32.8 | 0 | 0 | 0 | 109.3 | | |
| 145 | K | 34.6 | Very low | 34.4 | Very low | 199 Ų | 199 | 135.9 Ų | 135.9 | 87% | 0.865 | 77% | 0.773 | S | S | * | * | | | trans | -151 | 113.2 | 156.5 | -130.4 | 170.6 | -173.6 | 175.3 | 0 | 111.8 | | |
| 146 | S | 30.5 | Very low | 34.5 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | | | trans | -71 | 147.4 | 163.7 | 42.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 147 | N | 36.7 | Very low | 34.6 | Very low | 156 Ų | 156 | 141.7 Ų | 141.7 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | | | trans | -155.7 | 137 | 161.3 | -98.4 | -26.8 | 0 | 0 | 0 | 109.1 | | |
| 148 | N | 30.9 | Very low | 34.6 | Very low | 156 Ų | 156 | 145.8 Ų | 145.8 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | | | trans | -65.7 | 155.4 | 159.8 | -81.4 | -45.6 | 0 | 0 | 0 | 109.8 | | |
| 149 | I | 37.2 | Very low | 34.6 | Very low | 153 Ų | 153 | 144.7 Ų | 144.7 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | | -178.6 | 141.4 | 125.9 | -95.8 | 155.2 | 0 | 0 | 0 | 112 | | |
| 150 | H | 38.3 | Very low | 34.8 | Very low | 164 Ų | 164 | 145.8 Ų | 145.8 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | | | trans | 26.6 | 101.7 | 165 | -59.1 | -40 | 0 | 0 | 0 | 121.9 | | |
| 151 | N | 29.8 | Very low | 35.1 | Very low | 135 Ų | 135 | 147.4 Ų | 147.4 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | | | | 10.8 | 107.5 | 108.7 | -178.3 | 28.7 | 0 | 0 | 0 | 117.2 | | |
| 152 | I | 40.9 | Very low | 35.3 | Very low | 159 Ų | 159 | 147.9 Ų | 147.9 | 82% | 0.815 | 80% | 0.802 | S | S | * | * | | | trans | -134 | 131.2 | 149.8 | -63.7 | -177 | 0 | 0 | 0 | 107.4 | | |
| 153 | N | 32.4 | Very low | 35.5 | Very low | 136 Ų | 136 | 149.8 Ų | 149.8 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | trans | -73.7 | 135.4 | 178 | -71.5 | -34.4 | 0 | 0 | 0 | 112 | | |
| 154 | S | 38.5 | Very low | 35.7 | Very low | 121 Ų | 121 | 150 Ų | 150 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | | | trans | -137 | 128.9 | 142.6 | -81.4 | 0 | 0 | 0 | 0 | 107.8 | | |
| 155 | N | 36.1 | Very low | 35.8 | Very low | 139 Ų | 139 | 152 Ų | 152 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | | | trans | -74.5 | 144.1 | 174 | -58.9 | -52.9 | 0 | 0 | 0 | 109.5 | | |
| 156 | D | 37.9 | Very low | 35.8 | Very low | 169 Ų | 169 | 149.2 Ų | 149.2 | 90% | 0.904 | 79% | 0.79 | S | S | * | * | | | trans | -148.6 | 134.8 | 131.7 | -102.7 | -38.3 | 0 | 0 | 0 | 109.6 | | |
| 157 | N | 37.9 | Very low | 36.1 | Very low | 128 Ų | 128 | 151 Ų | 151 | 68% | 0.684 | 79% | 0.788 | S | S | * | * | | | trans | -99.8 | 130.1 | -178.2 | -77.1 | -70.8 | 0 | 0 | 0 | 110 | | |
| 158 | H | 36.8 | Very low | 36.2 | Very low | 196 Ų | 196 | 153 Ų | 153 | 91% | 0.907 | 79% | 0.789 | S | S | * | * | | | trans | -151.1 | 88.2 | 143 | -101.8 | -60.7 | 0 | 0 | 0 | 111.5 | | |
| 159 | N | 37.1 | Very low | 36.4 | Very low | 133 Ų | 133 | 153.1 Ų | 153.1 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | | | trans | -76.7 | 133.9 | 153.8 | -73 | -39.3 | 0 | 0 | 0 | 108.5 | | |
| 160 | N | 35.9 | Very low | 36.3 | Very low | 143 Ų | 143 | 153 Ų | 153 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | | | | 159.6 | 95.3 | 126.8 | -81.9 | -8.6 | 0 | 0 | 0 | 111.3 | | |
| 161 | D | 37.5 | Very low | 36.1 | Very low | 170 Ų | 170 | 150.6 Ų | 150.6 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -137.8 | 55.7 | 156.3 | -96.8 | -43.8 | 0 | 0 | 0 | 109.2 | | |
| 162 | N | 38.4 | Very low | 36.3 | Very low | 144 Ų | 144 | 153.5 Ų | 153.5 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -151.8 | 146.5 | 168.2 | -89.1 | -64 | 0 | 0 | 0 | 108.6 | | |
| 163 | N | 35.5 | Very low | 35.9 | Very low | 146 Ų | 146 | 157.3 Ų | 157.3 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | | | trans | 56.3 | 84.3 | 175.1 | -64.9 | -21.2 | 0 | 0 | 0 | 117 | | |
| 164 | V | 36.5 | Very low | 35.9 | Very low | 122 Ų | 122 | 156.3 Ų | 156.3 | 74% | 0.739 | 80% | 0.804 | S | S | * | * | | | trans | -109.5 | 75.1 | 148.7 | -173.8 | 0 | 0 | 0 | 0 | 109.4 | N166 | V164-N166 VanDerWaalsContact C-N 3.29Å; V164-N166 HydrophobicContact CG1-CB 4.06Å; V164-N166 PolarHBondContact O-N 2.88Å |
| 165 | Y | 33.4 | Very low | 35.6 | Very low | 210 Ų | 210 | 159.5 Ų | 159.5 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | | | trans | -64.9 | 95.3 | 155 | -105.4 | -85.7 | 0 | 0 | 0 | 107.3 | M167 | Y165-M167 VanDerWaalsContact C-N 3.28Å; Y165-M167 PolarHBondContact O-N 3.01Å |
| 166 | N | 34.6 | Very low | 35.3 | Very low | 141 Ų | 141 | 158.6 Ų | 158.6 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | | | trans | -80 | 78.1 | -173.4 | -137.7 | -19.8 | 0 | 0 | 0 | 110.3 | V164 K168 | V164-N166 VanDerWaalsContact C-N 3.29Å; V164-N166 HydrophobicContact CG1-CB 4.06Å; V164-N166 PolarHBondContact O-N 2.88Å; N166-K168 PolarHBondContact O-N 2.77Å |
| 167 | M | 36.6 | Very low | 35.3 | Very low | 150 Ų | 150 | 156 Ų | 156 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | | | trans | -61.4 | 92.1 | 174.9 | -81.2 | -170.4 | -77.5 | 0 | 0 | 110.6 | Y165 M169 | Y165-M167 VanDerWaalsContact C-N 3.28Å; Y165-M167 PolarHBondContact O-N 3.01Å; M167-M169 PolarHBondContact O-N 2.79Å |
| 168 | K | 37.8 | Very low | 35.3 | Very low | 197 Ų | 197 | 159.2 Ų | 159.2 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | | | trans | -82.5 | 68.1 | 176.7 | -157.2 | 169.8 | -171.7 | 176.3 | 0 | 110.9 | N166 N170 | N166-K168 PolarHBondContact O-N 2.77Å; K168-N170 PolarHBondContact O-N 3.27Å |
| 169 | M | 35 | Very low | 35.3 | Very low | 159 Ų | 159 | 157.7 Ų | 157.7 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | | | trans | -55.7 | 116.3 | 169.9 | -76.7 | -71.4 | -172.8 | 0 | 0 | 110.2 | M167 | M167-M169 PolarHBondContact O-N 2.79Š|
| 170 | N | 35.7 | Very low | 35.2 | Very low | 151 Ų | 151 | 157.5 Ų | 157.5 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | | | trans | -163.9 | 154.4 | 160.6 | -109.4 | -35.9 | 0 | 0 | 0 | 111.8 | K168 | K168-N170 PolarHBondContact O-N 3.27Š|
| 171 | S | 34.7 | Very low | 35.4 | Very low | 114 Ų | 114 | 160.4 Ų | 160.4 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | | | trans | 59 | 87.9 | 178.6 | -68.1 | 0 | 0 | 0 | 0 | 116.8 | | |
| 172 | F | 32.8 | Very low | 35.3 | Very low | 196 Ų | 196 | 157.2 Ų | 157.2 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | | | trans | -47.9 | 135.6 | 150.4 | -73.5 | -105.7 | 0 | 0 | 0 | 111.5 | | |
| 173 | R | 33.4 | Very low | 35.3 | Very low | 239 Ų | 239 | 157.8 Ų | 157.8 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | | | trans | -158.4 | 89 | 143.9 | -115 | 169.5 | -168.5 | -93.3 | -1.2 | 111.2 | R175 | R173-R175 PolarHBondContact O-N 3.42Š|
| 174 | S | 31.1 | Very low | 35.3 | Very low | 115 Ų | 115 | 154.7 Ų | 154.7 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | -65 | 126 | 168.6 | -47.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 175 | R | 32.3 | Very low | 35.3 | Very low | 187 Ų | 187 | 153.6 Ų | 153.6 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | | | trans | -148.8 | 72.9 | 164.5 | -162.5 | 165.9 | -175.3 | 144 | 14.1 | 111.3 | R173 E177 | R173-R175 PolarHBondContact O-N 3.42Å; R175-E177 HydrophobicContact CG-CG 4.02Å; R175-E177 IonicContact CZ-OE1 2.79Å; R175-E177 IonicContact CZ-OE2 3.3Å; R175-E177 IonicContact NE-OE1 3.91Å; R175-E177 PolarHBondContact NE-OE1 2.96Å; R175-E177 IonicContact NE-OE2 3.01Å; R175-E177 PolarHBondContact NE-OE2 3.41Å; R175-E177 IonicContact NH2-OE1 3.75Å; R175-E177 PolarHBondContact NH2-OE1 3.2Å; R175-E177 IonicContact NH2-OE2 3.79Å; R175-E177 PolarHBondContact NH2-OE2 2.98Å; R175-E177 PolarHBondContact O-N 3.49Å |
| 176 | S | 30.9 | Very low | 35.3 | Very low | 121 Ų | 121 | 150.6 Ų | 150.6 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | | | trans | -74.2 | 109.2 | 159.9 | 52 | 0 | 0 | 0 | 0 | 108.5 | | |
| 177 | E | 36.7 | Very low | 35.5 | Very low | 115 Ų | 115 | 150 Ų | 150 | 54% | 0.537 | 77% | 0.772 | S | S | . | * | | | trans | -130.2 | 125.5 | 173.7 | -81 | -175.4 | 160.6 | 0 | 0 | 111.7 | R175 | R175-E177 HydrophobicContact CG-CG 4.02Å; R175-E177 IonicContact CZ-OE1 2.79Å; R175-E177 IonicContact CZ-OE2 3.3Å; R175-E177 IonicContact NE-OE1 3.91Å; R175-E177 PolarHBondContact NE-OE1 2.96Å; R175-E177 IonicContact NE-OE2 3.01Å; R175-E177 PolarHBondContact NE-OE2 3.41Å; R175-E177 IonicContact NH2-OE1 3.75Å; R175-E177 PolarHBondContact NH2-OE1 3.2Å; R175-E177 IonicContact NH2-OE2 3.79Å; R175-E177 PolarHBondContact NH2-OE2 2.98Å; R175-E177 PolarHBondContact O-N 3.49Å |
| 178 | Y | 38.3 | Very low | 35.6 | Very low | 194 Ų | 194 | 147.3 Ų | 147.3 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | | | trans | 28.4 | 112.1 | 147.7 | -59.6 | -86.1 | 0 | 0 | 0 | 119 | | |
| 179 | N | 37.2 | Very low | 35.7 | Very low | 164 Ų | 164 | 146.7 Ų | 146.7 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | | | | -140 | 100.7 | 106.9 | -95 | -46.5 | 0 | 0 | 0 | 109.6 | | |
| 180 | H | 35.2 | Very low | 35.8 | Very low | 129 Ų | 129 | 144.7 Ų | 144.7 | 60% | 0.597 | 77% | 0.767 | S | S | * | * | | | trans | -107.2 | 113.4 | 174.8 | 179.7 | 81.7 | 0 | 0 | 0 | 107.4 | D182 | H180-D182 IonicContact CD2-OD2 4Å; H180-D182 IonicContact CE1-OD2 2.76Å; H180-D182 WeakPolarHBondContact NE2-CB 3.28Å; H180-D182 IonicContact NE2-OD2 2.76Å; H180-D182 PolarHBondContact NE2-OD2 3.48Å |
| 181 | F | 39.5 | Very low | 36 | Very low | 204 Ų | 204 | 145.3 Ų | 145.3 | 90% | 0.895 | 77% | 0.769 | S | S | * | * | | | trans | -125 | 137.3 | 167.3 | -104.4 | -81.2 | 0 | 0 | 0 | 108.3 | | |
| 182 | D | 35.4 | Very low | 35.8 | Very low | 104 Ų | 104 | 147 Ų | 147 | 56% | 0.556 | 77% | 0.769 | S | S | * | * | | | trans | -136.9 | 161.5 | -148.5 | -155.3 | -7.5 | 0 | 0 | 0 | 111.5 | H180 | H180-D182 IonicContact CD2-OD2 4Å; H180-D182 IonicContact CE1-OD2 2.76Å; H180-D182 WeakPolarHBondContact NE2-CB 3.28Å; H180-D182 IonicContact NE2-OD2 2.76Å; H180-D182 PolarHBondContact NE2-OD2 3.48Å |
| 183 | I | 38.1 | Very low | 36 | Very low | 156 Ų | 156 | 144.9 Ų | 144.9 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | | | trans | 64.4 | 115.7 | 167.6 | -54 | 155.5 | 0 | 0 | 0 | 115.7 | | |
| 184 | G | 35.5 | Very low | 36.2 | Very low | 81 Ų | 81 | 142.4 Ų | 142.4 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | | | trans | -175.2 | 62.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 185 | S | 37.9 | Very low | 36.4 | Very low | 98 Ų | 98 | 141.6 Ų | 141.6 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | | | trans | -80 | 134.6 | -165.5 | 57.8 | 0 | 0 | 0 | 0 | 117.1 | | |
| 186 | N | 32.7 | Very low | 36.5 | Very low | 147 Ų | 147 | 139.7 Ų | 139.7 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | | | trans | 75.2 | 164.3 | 142.3 | -61 | -21.6 | 0 | 0 | 0 | 121.6 | | |
| 187 | T | 39.7 | Very low | 36.6 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | | | trans | 82.3 | 84.1 | 162.4 | 55.4 | 0 | 0 | 0 | 0 | 121.1 | | |
| 188 | S | 37.9 | Very low | 36.7 | Very low | 95 Ų | 95 | 141.3 Ų | 141.3 | 66% | 0.664 | 78% | 0.778 | S | S | * | * | | | | 62.8 | 120.4 | 115 | 65.2 | 0 | 0 | 0 | 0 | 123.8 | | |
| 189 | H | 40.4 | Very low | 36.7 | Very low | 184 Ų | 184 | 139.7 Ų | 139.7 | 85% | 0.852 | 78% | 0.777 | S | S | * | * | | | trans | 76.6 | 142.1 | 145.3 | -66.9 | -58.2 | 0 | 0 | 0 | 121.4 | | |
| 190 | P | 37.1 | Very low | 36.8 | Very low | 117 Ų | 117 | 141.6 Ų | 141.6 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | | | trans | -101.9 | 152.2 | 179.7 | 39.5 | -33.6 | 0 | 0 | 0 | 113.7 | | |
| 191 | I | 39.3 | Very low | 37.1 | Very low | 164 Ų | 164 | 140.6 Ų | 140.6 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | | | trans | -144.4 | 138.7 | 160.3 | -52.3 | -178.4 | 0 | 0 | 0 | 107.6 | | |
| 192 | D | 31.4 | Very low | 37.1 | Very low | 149 Ų | 149 | 138.7 Ų | 138.7 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | | | trans | -67 | 168 | 172.3 | -59.7 | -79.5 | 0 | 0 | 0 | 112.9 | | |
| 193 | L | 36.8 | Very low | 37.8 | Very low | 151 Ų | 151 | 139.8 Ų | 139.8 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | | | trans | 164.1 | 113.3 | 135.2 | -84.8 | 164.4 | 0 | 0 | 0 | 111.7 | | |
| 194 | F | 36.1 | Very low | 37.8 | Very low | 187 Ų | 187 | 135.8 Ų | 135.8 | 82% | 0.82 | 79% | 0.791 | S | S | * | * | | | trans | 41.1 | 120 | 145.6 | -68.5 | -90.8 | 0 | 0 | 0 | 123.8 | | |
| 195 | S | 36.9 | Very low | 38.4 | Very low | 98 Ų | 98 | 138.9 Ų | 138.9 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | | | | 91.8 | 148.9 | 121.5 | -66.8 | 0 | 0 | 0 | 0 | 123.4 | | |
| 196 | N | 34 | Very low | 38.3 | Very low | 148 Ų | 148 | 141 Ų | 141 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | | | trans | 77.7 | 84.5 | 157.3 | -65.1 | -5.2 | 0 | 0 | 0 | 120.3 | | |
| 197 | S | 33.2 | Very low | 38.8 | Very low | 115 Ų | 115 | 142.1 Ų | 142.1 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | | 29.4 | 121.4 | 121.3 | -49.9 | 0 | 0 | 0 | 0 | 120.5 | | |
| 198 | T | 38.2 | Very low | 38.8 | Very low | 154 Ų | 154 | 139.2 Ų | 139.2 | 95% | 0.945 | 79% | 0.785 | S | S | * | * | | | trans | -151.4 | 160.1 | 134 | 3.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 199 | H | 38.1 | Very low | 38.8 | Very low | 161 Ų | 161 | 141.5 Ų | 141.5 | 75% | 0.745 | 79% | 0.789 | S | S | * | * | | | trans | -140.5 | 132.5 | -161.3 | 178.3 | -58.1 | 0 | 0 | 0 | 109.8 | | |
| 200 | F | 38.5 | Very low | 38.7 | Very low | 204 Ų | 204 | 139.4 Ų | 139.4 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | | | trans | -172.3 | 164.4 | 161.8 | -93.7 | -48.4 | 0 | 0 | 0 | 110.9 | | |
| 201 | P | 41.7 | Very low | 38.8 | Very low | 107 Ų | 107 | 139.8 Ų | 139.8 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | | | trans | -136.4 | -163.2 | -132.9 | 40.9 | -18.8 | 0 | 0 | 0 | 115.6 | | |
| 202 | L | 39.8 | Very low | 38.8 | Very low | 164 Ų | 164 | 137.2 Ų | 137.2 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | | | trans | -66.2 | 151.9 | 179.4 | -68.7 | 160.4 | 0 | 0 | 0 | 114.7 | | |
| 203 | P | 49.7 | Very low | 39.1 | Very low | 128 Ų | 128 | 137.4 Ų | 137.4 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | | | trans | -85.1 | 165.4 | 163.8 | 36.9 | -34.5 | 0 | 0 | 0 | 112.1 | | |
| 204 | G | 38.4 | Very low | 38.9 | Very low | 72 Ų | 72 | 135.1 Ų | 135.1 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | | | trans | -166.2 | 173.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 205 | T | 48.7 | Very low | 38.7 | Very low | 146 Ų | 146 | 134 Ų | 134 | 90% | 0.896 | 78% | 0.776 | S | S | * | * | | | trans | -139.6 | 120.8 | 175.2 | 46.4 | 0 | 0 | 0 | 0 | 107.6 | | |
| 206 | N | 36.3 | Very low | 38.8 | Very low | 143 Ų | 143 | 136.2 Ų | 136.2 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | | | cis | 92.5 | 95 | 23.6 | -164.4 | 18.7 | 0 | 0 | 0 | 115.4 | | |
| 207 | M | 42.5 | Very low | 38.9 | Very low | 170 Ų | 170 | 136 Ų | 136 | 84% | 0.837 | 78% | 0.782 | S | S | * | * | | | trans | -166.7 | 83.2 | 157.3 | -89.2 | -86.1 | 93.8 | 0 | 0 | 105.3 | | |
| 208 | S | 38.8 | Very low | 39 | Very low | 66 Ų | 66 | 137.5 Ų | 137.5 | 46% | 0.462 | 78% | 0.782 | S | S | . | * | | | | 84.5 | 104.9 | 81.5 | 67.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 209 | N | 39.2 | Very low | 38.8 | Very low | 143 Ų | 143 | 134.9 Ų | 134.9 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | | | | 176.8 | 115.5 | 119.7 | -85.5 | -24.6 | 0 | 0 | 0 | 113.3 | | |
| 210 | N | 37 | Very low | 38.8 | Very low | 141 Ų | 141 | 132.1 Ų | 132.1 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | | | trans | 23 | 139.6 | 139.6 | -39.5 | -27.5 | 0 | 0 | 0 | 118.8 | | |
| 211 | T | 40.1 | Very low | 38.7 | Very low | 124 Ų | 124 | 128.6 Ų | 128.6 | 76% | 0.761 | 76% | 0.759 | S | S | * | * | | | cis | -169 | 107.9 | 47 | -44.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 212 | T | 38.8 | Very low | 38.4 | Very low | 110 Ų | 110 | 130 Ų | 130 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | | | | 89.3 | 110.8 | 96.3 | -60.7 | 0 | 0 | 0 | 0 | 116.9 | | |
| 213 | I | 37.7 | Very low | 38.3 | Very low | 154 Ų | 154 | 129.9 Ų | 129.9 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | | | trans | 50.4 | 139.6 | 133.3 | -59.5 | 177.4 | 0 | 0 | 0 | 119.7 | | |
| 214 | S | 33.7 | Very low | 37.7 | Very low | 103 Ų | 103 | 131.5 Ų | 131.5 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | | | cis | -172.6 | 166.1 | -16.3 | -89.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 215 | N | 32.1 | Very low | 37.8 | Very low | 164 Ų | 164 | 131.4 Ų | 131.4 | 88% | 0.877 | 76% | 0.755 | S | S | * | * | | | trans | -62 | 142.1 | 173.7 | -60.6 | -27.3 | 0 | 0 | 0 | 113.5 | | |
| 216 | T | 37.6 | Very low | 37.8 | Very low | 143 Ų | 143 | 130.7 Ų | 130.7 | 88% | 0.877 | 75% | 0.753 | S | S | * | * | | | trans | -150.1 | 150.8 | 151.2 | -58.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 217 | I | 37.2 | Very low | 38 | Very low | 144 Ų | 144 | 128.9 Ų | 128.9 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | | | trans | -90 | 135.4 | -176 | -58.1 | 151.4 | 0 | 0 | 0 | 110.2 | | |
| 218 | N | 35.4 | Very low | 37.8 | Very low | 147 Ų | 147 | 127.8 Ų | 127.8 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | | | | 175.2 | 141.9 | 124.9 | -99.1 | -65 | 0 | 0 | 0 | 116.4 | | |
| 219 | S | 32.7 | Very low | 37.7 | Very low | 99 Ų | 99 | 129.1 Ų | 129.1 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | | | trans | -5.3 | 142.8 | 150.1 | -47.9 | 0 | 0 | 0 | 0 | 122.3 | | |
| 220 | S | 38.6 | Very low | 37.7 | Very low | 102 Ų | 102 | 129.4 Ų | 129.4 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | | | trans | 114.9 | 139.7 | 130.1 | 80.5 | 0 | 0 | 0 | 0 | 120 | | |
| 221 | N | 36.8 | Very low | 37.7 | Very low | 131 Ų | 131 | 129.9 Ų | 129.9 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | | | trans | 63.7 | 104 | 147.2 | -62 | -21 | 0 | 0 | 0 | 121.9 | | |
| 222 | N | 34.3 | Very low | 37.4 | Very low | 137 Ų | 137 | 130.6 Ų | 130.6 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | | | | 66.6 | 141.2 | 119.2 | -64.5 | -27 | 0 | 0 | 0 | 123 | | |
| 223 | Q | 37.7 | Very low | 37.1 | Very low | 161 Ų | 161 | 132.2 Ų | 132.2 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | | | trans | 89.6 | 136.5 | 137.1 | -98.2 | -179.1 | 73.8 | 0 | 0 | 121.6 | | |
| 224 | L | 37.5 | Very low | 36.9 | Very low | 162 Ų | 162 | 130.2 Ų | 130.2 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | | | trans | 71.2 | 140.4 | 158.2 | -56.8 | 158.8 | 0 | 0 | 0 | 117 | | |
| 225 | G | 40.1 | Very low | 36.9 | Very low | 69 Ų | 69 | 131.1 Ų | 131.1 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | | | cis | -168.3 | 171.4 | -4.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 226 | P | 50.6 | Low | 37.2 | Very low | 132 Ų | 132 | 127 Ų | 127 | 86% | 0.857 | 75% | 0.753 | S | S | * | * | | | trans | -128.2 | 170.1 | -157 | 42.6 | -29.3 | 0 | 0 | 0 | 118 | | |
| 227 | S | 40.1 | Very low | 37.2 | Very low | 105 Ų | 105 | 128.2 Ų | 128.2 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | | | trans | -172.8 | 150.6 | 160.8 | 59.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 228 | N | 37.6 | Very low | 37.2 | Very low | 147 Ų | 147 | 126.7 Ų | 126.7 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | | | cis | -148.7 | 163.5 | -4.3 | -99.8 | -20.3 | 0 | 0 | 0 | 107.3 | | |
| 229 | S | 37.3 | Very low | 37.2 | Very low | 93 Ų | 93 | 126 Ų | 126 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | | | | 66 | 121.8 | 56.5 | -123.8 | 0 | 0 | 0 | 0 | 113 | | |
| 230 | L | 38.1 | Very low | 37.5 | Very low | 149 Ų | 149 | 127.9 Ų | 127.9 | 78% | 0.78 | 74% | 0.74 | S | S | * | * | | | cis | -144.8 | 143.7 | 24.5 | -78.2 | 166.4 | 0 | 0 | 0 | 109.9 | | |
| 231 | H | 36.9 | Very low | 37.1 | Very low | 151 Ų | 151 | 129.6 Ų | 129.6 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | | | | 100.4 | 125.7 | 59 | -125.4 | -113.5 | 0 | 0 | 0 | 114.1 | | |
| 232 | L | 35.2 | Very low | 37.2 | Very low | 140 Ų | 140 | 127.3 Ų | 127.3 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | | | trans | 67.8 | 166.9 | 158.2 | -58.5 | 168.4 | 0 | 0 | 0 | 119.1 | | |
| 233 | I | 32.6 | Very low | 37.2 | Very low | 143 Ų | 143 | 127.9 Ų | 127.9 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | | | | -166.3 | 166.2 | -52 | -122.1 | -179.3 | 0 | 0 | 0 | 107.9 | | |
| 234 | S | 33.6 | Very low | 37.1 | Very low | 113 Ų | 113 | 124.9 Ų | 124.9 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | | | trans | 75.2 | 116.7 | 165 | -73.9 | 0 | 0 | 0 | 0 | 121.8 | | |
| 235 | S | 32.7 | Very low | 36.9 | Very low | 121 Ų | 121 | 125.5 Ų | 125.5 | 85% | 0.846 | 74% | 0.735 | S | S | * | * | | | trans | -41.5 | 154.6 | 153 | -36.3 | 0 | 0 | 0 | 0 | 117.3 | | |
| 236 | A | 39.2 | Very low | 36.4 | Very low | 79 Ų | 79 | 127.6 Ų | 127.6 | 65% | 0.653 | 74% | 0.738 | S | S | * | * | | | | -178.9 | 139.4 | 119.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 237 | H | 37.9 | Very low | 36 | Very low | 167 Ų | 167 | 125.4 Ų | 125.4 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | | | trans | 60.8 | 158.6 | 152.3 | -62.2 | -28.7 | 0 | 0 | 0 | 119.3 | | |
| 238 | N | 37.2 | Very low | 35.8 | Very low | 112 Ų | 112 | 131.2 Ų | 131.2 | 60% | 0.599 | 73% | 0.732 | S | S | * | * | | | cis | -148.8 | 133.2 | -21.5 | -104 | -21.6 | 0 | 0 | 0 | 106.2 | | |
| 239 | N | 34 | Very low | 35.4 | Very low | 134 Ų | 134 | 130.5 Ų | 130.5 | 72% | 0.717 | 73% | 0.728 | S | S | * | * | | | | 59.4 | 136.5 | 87.3 | -91.1 | -23.1 | 0 | 0 | 0 | 116.6 | | |
| 240 | N | 38.7 | Very low | 35.4 | Very low | 137 Ų | 137 | 135.2 Ų | 135.2 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | | | trans | 92.7 | 146.8 | 162.8 | -58.9 | -50 | 0 | 0 | 0 | 119.3 | | |
| 241 | N | 31.4 | Very low | 35.1 | Very low | 138 Ų | 138 | 132.4 Ų | 132.4 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | | | cis | -175 | 165.9 | -36.5 | -126.6 | -44.5 | 0 | 0 | 0 | 109.9 | | |
| 242 | A | 39.2 | Very low | 35 | Very low | 83 Ų | 83 | 131.9 Ų | 131.9 | 69% | 0.686 | 73% | 0.732 | S | S | * | * | | | trans | 64.6 | 161.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 243 | N | 33.8 | Very low | 35 | Very low | 150 Ų | 150 | 133.1 Ų | 133.1 | 80% | 0.802 | 73% | 0.734 | S | S | * | * | | | cis | -158.6 | 166.8 | -3.5 | -129.4 | 13.1 | 0 | 0 | 0 | 108.2 | | |
| 244 | V | 35.2 | Very low | 35.2 | Very low | 97 Ų | 97 | 129.8 Ų | 129.8 | 59% | 0.588 | 72% | 0.722 | S | S | * | * | | | cis | -156.5 | 162.1 | 0.7 | 76.6 | 0 | 0 | 0 | 0 | 111 | | |
| 245 | E | 33.9 | Very low | 35.1 | Very low | 176 Ų | 176 | 127.8 Ų | 127.8 | 82% | 0.822 | 71% | 0.707 | S | S | * | * | | | trans | 33.5 | 120 | 152.9 | -76.2 | 155 | -172.6 | 0 | 0 | 124.1 | | |
| 246 | S | 29.2 | Very low | 35.2 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 78% | 0.783 | 71% | 0.707 | S | S | * | * | | | trans | -88.5 | -172.3 | 139.2 | -145.7 | 0 | 0 | 0 | 0 | 108.7 | | |
| 247 | P | 43.3 | Very low | 35 | Very low | 87 Ų | 87 | 133.3 Ų | 133.3 | 57% | 0.565 | 71% | 0.709 | S | S | * | * | | | cis | -133.9 | -164.2 | -8.2 | 42.3 | -24.3 | 0 | 0 | 0 | 113 | | |
| 248 | Y | 34 | Very low | 34.8 | Very low | 226 Ų | 226 | 129 Ų | 129 | 89% | 0.886 | 71% | 0.71 | S | S | * | * | | | | -164.2 | 146.7 | 122.3 | -115.8 | -75.8 | 0 | 0 | 0 | 113.6 | | |
| 249 | N | 30.8 | Very low | 34.6 | Very low | 132 Ų | 132 | 128.1 Ų | 128.1 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | | | trans | -100.7 | 154.5 | -173.3 | -67.9 | -76.8 | 0 | 0 | 0 | 114.1 | | |
| 250 | K | 36.4 | Very low | 34.6 | Very low | 193 Ų | 193 | 131.3 Ų | 131.3 | 84% | 0.839 | 73% | 0.725 | S | S | * | * | | | | 174 | 119 | 129.1 | -96.5 | 160.5 | -176.2 | 177.8 | 0 | 111.7 | | |
| 251 | S | 32.1 | Very low | 34.5 | Very low | 89 Ų | 89 | 132.2 Ų | 132.2 | 62% | 0.622 | 73% | 0.725 | S | S | * | * | | | | 67.4 | 130.6 | 88.4 | 80.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 252 | N | 35.4 | Very low | 34.6 | Very low | 140 Ų | 140 | 131.4 Ų | 131.4 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | | | cis | -166.2 | 171.9 | 17.2 | -96 | -11 | 0 | 0 | 0 | 108.4 | | |
| 253 | Q | 35.2 | Very low | 34.4 | Very low | 167 Ų | 167 | 135 Ų | 135 | 78% | 0.78 | 73% | 0.734 | S | S | * | * | | | cis | -162.5 | 171.7 | -10.2 | -97.9 | -89.1 | -46.1 | 0 | 0 | 108.6 | | |
| 254 | P | 35.8 | Very low | 34.3 | Very low | 73 Ų | 73 | 134.2 Ų | 134.2 | 47% | 0.474 | 73% | 0.734 | S | S | . | * | | | trans | -124.1 | 172.2 | -157.3 | 42.4 | -31.2 | 0 | 0 | 0 | 118.9 | | |
| 255 | C | 32.5 | Very low | 34.2 | Very low | 71 Ų | 71 | 135 Ų | 135 | 48% | 0.48 | 74% | 0.744 | S | S | . | * | | | trans | 64.5 | 159.3 | 153.8 | 70.6 | 0 | 0 | 0 | 0 | 118.8 | H722 | C255-H722 VanDerWaalsContact CB-CE1 3.42Å; C255-H722 WeakPolarHBondContact CB-CE1 3.32Å; C255-H722 VanDerWaalsContact CB-NE2 3.32Å; C255-H722 WeakPolarHBondContact CB-NE2 3.42Å |
| 256 | E | 34.7 | Very low | 34.2 | Very low | 183 Ų | 183 | 133.3 Ų | 133.3 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | | | cis | -136.8 | 150.3 | 49.4 | -66 | -174.1 | 113.3 | 0 | 0 | 118.7 | | |
| 257 | I | 34.1 | Very low | 34.3 | Very low | 133 Ų | 133 | 138.8 Ų | 138.8 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | | | trans | -19.9 | 145.9 | 151.9 | -63.4 | 147.9 | 0 | 0 | 0 | 118.6 | | |
| 258 | G | 34.2 | Very low | 33.9 | Very low | 77 Ų | 77 | 139.8 Ų | 139.8 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | | | trans | 179.3 | 84.6 | 158.8 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 259 | A | 32.2 | Very low | 33.9 | Very low | 93 Ų | 93 | 134.3 Ų | 134.3 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | | | trans | -99 | 124 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 260 | F | 34.5 | Very low | 34.2 | Very low | 201 Ų | 201 | 135.2 Ų | 135.2 | 88% | 0.882 | 75% | 0.75 | S | S | * | * | | | trans | -151.5 | 128.9 | 166.9 | -99.1 | -76.1 | 0 | 0 | 0 | 114.2 | | |
| 261 | H | 36.9 | Very low | 33.9 | Very low | 156 Ų | 156 | 133.1 Ų | 133.1 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | | | trans | 46 | 130.7 | 151.7 | -98.7 | -103.8 | 0 | 0 | 0 | 122.5 | L263 | H261-L263 PolarHBondContact O-N 2.74Š|
| 262 | P | 33.4 | Very low | 34.2 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -75 | 117.3 | 164.9 | 31.6 | -31.9 | 0 | 0 | 0 | 110.7 | | |
| 263 | L | 34.8 | Very low | 34 | Very low | 159 Ų | 159 | 137 Ų | 137 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 132.9 | 173.2 | -74.8 | 176.4 | 0 | 0 | 0 | 111.9 | H261 | H261-L263 PolarHBondContact O-N 2.74Š|
| 264 | V | 31 | Very low | 33.8 | Very low | 134 Ų | 134 | 136.3 Ų | 136.3 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 120.8 | 170.7 | 175.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 265 | S | 35 | Very low | 33.6 | Very low | 112 Ų | 112 | 138.3 Ų | 138.3 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | | | trans | -118.4 | 82.5 | 175.6 | -72.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 266 | N | 33 | Very low | 33.5 | Very low | 142 Ų | 142 | 140.6 Ų | 140.6 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | | | trans | 32.4 | 113.5 | 145.2 | -58.1 | -23 | 0 | 0 | 0 | 119.7 | | |
| 267 | Y | 30.8 | Very low | 33.5 | Very low | 226 Ų | 226 | 139.8 Ų | 139.8 | 89% | 0.886 | 79% | 0.794 | S | S | * | * | | | trans | -62.3 | 141.4 | 148.6 | -95.6 | -101.1 | 0 | 0 | 0 | 110.9 | | |
| 268 | S | 34.5 | Very low | 33.7 | Very low | 108 Ų | 108 | 144.6 Ų | 144.6 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | | | trans | -101 | 110.9 | 160.5 | -69.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 269 | P | 35.7 | Very low | 33.5 | Very low | 112 Ų | 112 | 151.4 Ų | 151.4 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | trans | -89.5 | 108.3 | 176.8 | 32.8 | -30.4 | 0 | 0 | 0 | 111 | | |
| 270 | I | 36.2 | Very low | 34 | Very low | 150 Ų | 150 | 152.6 Ų | 152.6 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | | | trans | -96.8 | 107.4 | 169.3 | -62.5 | -178.7 | 0 | 0 | 0 | 109 | | |
| 271 | N | 30.9 | Very low | 34 | Very low | 150 Ų | 150 | 150 Ų | 150 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | | | trans | -73.8 | 127.1 | 165.4 | -69.4 | -62.7 | 0 | 0 | 0 | 109.4 | | |
| 272 | L | 37.8 | Very low | 33.8 | Very low | 164 Ų | 164 | 152.1 Ų | 152.1 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | | | trans | -136.6 | 110.3 | 158.4 | -96.5 | 169 | 0 | 0 | 0 | 109.5 | | |
| 273 | L | 31.9 | Very low | 34.1 | Very low | 145 Ų | 145 | 156 Ų | 156 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | | | trans | -80.9 | 156.7 | 169.4 | -76.7 | 159.9 | 0 | 0 | 0 | 110 | | |
| 274 | N | 29.5 | Very low | 33.9 | Very low | 153 Ų | 153 | 152.3 Ų | 152.3 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | 63.8 | 121 | 171.9 | -50.5 | -31.2 | 0 | 0 | 0 | 113.8 | | |
| 275 | S | 32.9 | Very low | 34.1 | Very low | 116 Ų | 116 | 152.4 Ų | 152.4 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | | | | -174 | 165.8 | 61.8 | 42.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 276 | S | 29.1 | Very low | 34.2 | Very low | 118 Ų | 118 | 151.4 Ų | 151.4 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | | | trans | -69.2 | 131.6 | -179.3 | -47.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 277 | I | 35.8 | Very low | 34.2 | Very low | 166 Ų | 166 | 151.8 Ų | 151.8 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | | | trans | -144.3 | 153.5 | 152.9 | -98.7 | 137.9 | 0 | 0 | 0 | 110.5 | | |
| 278 | R | 36.9 | Very low | 34.7 | Very low | 234 Ų | 234 | 149.3 Ų | 149.3 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -86 | 146.7 | -159.1 | -50.2 | 164.4 | -165.4 | -159.9 | 1.5 | 112.1 | | |
| 279 | Y | 30.9 | Very low | 34.8 | Very low | 220 Ų | 220 | 150.2 Ų | 150.2 | 86% | 0.863 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 134.2 | 151.8 | -77.9 | -88.2 | 0 | 0 | 0 | 109.4 | | |
| 280 | P | 43.4 | Very low | 34.8 | Very low | 119 Ų | 119 | 152.8 Ų | 152.8 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 150.2 | 169.8 | 32.2 | -33.1 | 0 | 0 | 0 | 111.6 | | |
| 281 | L | 34.1 | Very low | 34.8 | Very low | 145 Ų | 145 | 150.2 Ų | 150.2 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 155.9 | 174.5 | -104.6 | 71.4 | 0 | 0 | 0 | 112.1 | | |
| 282 | R | 32.4 | Very low | 35.2 | Very low | 201 Ų | 201 | 146.8 Ų | 146.8 | 76% | 0.758 | 81% | 0.805 | S | S | * | * | | | trans | 22.8 | 134.9 | 144.1 | -57.3 | 178.7 | 178.4 | -134.7 | 1.5 | 119.1 | | |
| 283 | H | 39 | Very low | 35.1 | Very low | 201 Ų | 201 | 144.4 Ų | 144.4 | 93% | 0.931 | 80% | 0.802 | S | S | * | * | | | | -134.1 | 160.7 | 121.3 | -79.3 | -63.3 | 0 | 0 | 0 | 110.6 | | |
| 284 | S | 30.1 | Very low | 35.5 | Very low | 83 Ų | 83 | 147 Ų | 147 | 58% | 0.58 | 81% | 0.81 | S | S | * | * | | | trans | -158.1 | 166.6 | -171.5 | 52.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 285 | T | 36.6 | Very low | 35.8 | Very low | 135 Ų | 135 | 150.2 Ų | 150.2 | 83% | 0.828 | 81% | 0.811 | S | S | * | * | | | trans | 70.5 | 148.1 | -177.2 | 73.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 286 | S | 36.8 | Very low | 36.1 | Very low | 92 Ų | 92 | 151.8 Ų | 151.8 | 64% | 0.643 | 81% | 0.808 | S | S | * | * | | | cis | -167.9 | 157.1 | -16.6 | 42.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 287 | D | 33.1 | Very low | 36.5 | Very low | 149 Ų | 149 | 152.1 Ų | 152.1 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | | | trans | 26.8 | 132.3 | 149.7 | -45.9 | -38.3 | 0 | 0 | 0 | 121.7 | | |
| 288 | I | 40 | Very low | 36.8 | Very low | 174 Ų | 174 | 150 Ų | 150 | 89% | 0.892 | 80% | 0.796 | S | S | * | * | | | | -163.5 | 140.5 | 127.8 | -101.7 | 150.7 | 0 | 0 | 0 | 110.1 | | |
| 289 | T | 36.7 | Very low | 36.9 | Very low | 128 Ų | 128 | 143.7 Ų | 143.7 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | -99.4 | 141.7 | 177.4 | 49.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 290 | N | 35.6 | Very low | 37.3 | Very low | 166 Ų | 166 | 140.6 Ų | 140.6 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | | | trans | -163.9 | 168.3 | 132.1 | -127.8 | -44.9 | 0 | 0 | 0 | 114.2 | | |
| 291 | A | 36.7 | Very low | 37.6 | Very low | 95 Ų | 95 | 139.9 Ų | 139.9 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | trans | -93.7 | 163.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 292 | G | 40.2 | Very low | 37.7 | Very low | 79 Ų | 79 | 142 Ų | 142 | 81% | 0.814 | 79% | 0.785 | S | S | * | * | | | trans | -171.4 | 103.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 293 | S | 35.7 | Very low | 38.2 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | | | trans | -86.1 | 146.1 | -177 | -52.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 294 | Q | 40.6 | Very low | 38.1 | Very low | 199 Ų | 199 | 135 Ų | 135 | 93% | 0.93 | 77% | 0.769 | S | S | * | * | | | | -166.2 | 169.4 | 127.2 | -109.1 | 157.4 | 99.3 | 0 | 0 | 113.7 | | |
| 295 | R | 34.4 | Very low | 38.5 | Very low | 222 Ų | 222 | 138.5 Ų | 138.5 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | | | trans | -111.7 | 168.4 | -176.2 | -61.2 | 177.9 | 171.8 | -153.2 | -0.6 | 110.8 | | |
| 296 | I | 40.5 | Very low | 38.7 | Very low | 148 Ų | 148 | 139.6 Ų | 139.6 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | | | | 173.3 | 120.3 | 124.5 | -87.6 | 153 | 0 | 0 | 0 | 109.4 | | |
| 297 | D | 36.3 | Very low | 38.7 | Very low | 125 Ų | 125 | 141.4 Ų | 141.4 | 67% | 0.668 | 77% | 0.772 | S | S | * | * | | | trans | 20.9 | 155.9 | 131.9 | -34.4 | -52.1 | 0 | 0 | 0 | 120.4 | | |
| 298 | T | 41.9 | Very low | 38.9 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | | | cis | -156.1 | 155.2 | 34.1 | 53.1 | 0 | 0 | 0 | 0 | 115.9 | | |
| 299 | S | 40.5 | Very low | 38.7 | Very low | 102 Ų | 102 | 137.8 Ų | 137.8 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | | | trans | 55.3 | 106.5 | 141.8 | 64.8 | 0 | 0 | 0 | 0 | 124.6 | | |
| 300 | N | 39.5 | Very low | 38.8 | Very low | 155 Ų | 155 | 137.7 Ų | 137.7 | 83% | 0.829 | 76% | 0.764 | S | S | * | * | | | | 26 | 167.8 | 99 | -85.9 | 10.4 | 0 | 0 | 0 | 122 | | |
| 301 | P | 48.9 | Very low | 38.9 | Very low | 104 Ų | 104 | 136.3 Ų | 136.3 | 68% | 0.675 | 76% | 0.762 | S | S | * | * | | | cis | -143.6 | 178.6 | -25.7 | 38.7 | -20.9 | 0 | 0 | 0 | 115.5 | | |
| 302 | F | 37 | Very low | 38.9 | Very low | 190 Ų | 190 | 137 Ų | 137 | 83% | 0.833 | 76% | 0.761 | S | S | * | * | | | | -168.6 | 162.5 | 129.5 | -128.2 | -122.8 | 0 | 0 | 0 | 116.3 | | |
| 303 | L | 41.1 | Very low | 38.7 | Very low | 128 Ų | 128 | 140.5 Ų | 140.5 | 67% | 0.67 | 76% | 0.76 | S | S | * | * | | | trans | -47.1 | 154.2 | -168.3 | -52.5 | 171.6 | 0 | 0 | 0 | 118.7 | | |
| 304 | D | 37.5 | Very low | 38.7 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 68% | 0.679 | 76% | 0.756 | S | S | * | * | | | cis | 104.4 | 146.2 | 6.9 | -155.4 | 12.7 | 0 | 0 | 0 | 117.7 | | |
| 305 | F | 39.2 | Very low | 38.3 | Very low | 155 Ų | 155 | 139.3 Ų | 139.3 | 68% | 0.68 | 76% | 0.755 | S | S | * | * | | | trans | 67.3 | 146.2 | -176 | -58.7 | -83.9 | 0 | 0 | 0 | 116.8 | | |
| 306 | H | 40.6 | Very low | 38.5 | Very low | 158 Ų | 158 | 134.9 Ų | 134.9 | 73% | 0.731 | 75% | 0.753 | S | S | * | * | | | cis | -156.3 | 174.2 | 6.8 | -123.1 | -59.4 | 0 | 0 | 0 | 106.6 | | |
| 307 | N | 35.7 | Very low | 38.2 | Very low | 130 Ų | 130 | 133.2 Ų | 133.2 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | | | cis | -159.8 | 162 | 1.6 | -166.1 | 54.5 | 0 | 0 | 0 | 109.1 | | |
| 308 | P | 39.3 | Very low | 38 | Very low | 93 Ų | 93 | 135.7 Ų | 135.7 | 60% | 0.604 | 76% | 0.764 | S | S | * | * | | | trans | -112.9 | -179 | -168 | 41.9 | -34.3 | 0 | 0 | 0 | 117.6 | | |
| 309 | N | 35.2 | Very low | 37.7 | Very low | 155 Ų | 155 | 135.7 Ų | 135.7 | 83% | 0.829 | 76% | 0.764 | S | S | * | * | | | trans | 101.9 | 92.5 | 159.3 | -61 | -19.1 | 0 | 0 | 0 | 119.9 | | |
| 310 | S | 37.4 | Very low | 37.4 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 88% | 0.881 | 77% | 0.769 | S | S | * | * | | | trans | -156.4 | 134.8 | 136.2 | 49.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 311 | T | 39.7 | Very low | 37 | Very low | 137 Ų | 137 | 135 Ų | 135 | 84% | 0.84 | 76% | 0.759 | S | S | * | * | | | trans | -61.8 | 138.1 | -172.1 | 47.2 | 0 | 0 | 0 | 0 | 116.6 | | |
| 312 | S | 35.6 | Very low | 36.2 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | | | | 178.4 | 139.6 | 107.3 | 50.7 | 0 | 0 | 0 | 0 | 115.7 | | |
| 313 | L | 35.8 | Very low | 36.1 | Very low | 153 Ų | 153 | 137.6 Ų | 137.6 | 80% | 0.801 | 77% | 0.768 | S | S | * | * | | | trans | 54.8 | 104.7 | 146.6 | -62.7 | 171.5 | 0 | 0 | 0 | 122.2 | | |
| 314 | T | 35.9 | Very low | 35.7 | Very low | 115 Ų | 115 | 139 Ų | 139 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | | | trans | 55.5 | 101.1 | 131.3 | 59.1 | 0 | 0 | 0 | 0 | 120.7 | | |
| 315 | N | 32.4 | Very low | 35.6 | Very low | 171 Ų | 171 | 140.5 Ų | 140.5 | 91% | 0.914 | 78% | 0.784 | S | S | * | * | | | trans | -151.2 | 133.9 | 130.3 | -103.2 | -42.3 | 0 | 0 | 0 | 109.2 | | |
| 316 | T | 39.2 | Very low | 35.5 | Very low | 130 Ų | 130 | 139.5 Ų | 139.5 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | | | trans | -131.6 | 158.1 | -170.9 | 36.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 317 | S | 33.1 | Very low | 35.4 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | | | trans | 57.2 | 94.8 | 170.8 | 57.5 | 0 | 0 | 0 | 0 | 117.4 | | |
| 318 | M | 32.6 | Very low | 35.5 | Very low | 176 Ų | 176 | 137.9 Ų | 137.9 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | | | trans | -75.2 | 167 | 132.9 | -69 | 178 | 63.6 | 0 | 0 | 109.8 | | |
| 319 | V | 35.5 | Very low | 35.4 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 75% | 0.745 | 79% | 0.789 | S | S | * | * | | | trans | 70.3 | 92.3 | 165.5 | -162.4 | 0 | 0 | 0 | 0 | 117 | | |
| 320 | N | 33.8 | Very low | 35.7 | Very low | 152 Ų | 152 | 136.2 Ų | 136.2 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | | | | -155.6 | 117.4 | 129.9 | -80.9 | -44.1 | 0 | 0 | 0 | 104.2 | | |
| 321 | S | 31.8 | Very low | 36 | Very low | 89 Ų | 89 | 135.7 Ų | 135.7 | 62% | 0.622 | 77% | 0.771 | S | S | * | * | | | | 60.1 | 121.1 | 59.2 | 75.7 | 0 | 0 | 0 | 0 | 114 | | |
| 322 | E | 31.1 | Very low | 36 | Very low | 188 Ų | 188 | 134.3 Ų | 134.3 | 88% | 0.879 | 76% | 0.758 | S | S | * | * | | | trans | 73.9 | 171.3 | 175.3 | -50.5 | -168.1 | 155.8 | 0 | 0 | 116.9 | | |
| 323 | I | 35.6 | Very low | 36.4 | Very low | 161 Ų | 161 | 136.1 Ų | 136.1 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | | | trans | 60.9 | 72.8 | -174.6 | -40.5 | 177.2 | 0 | 0 | 0 | 115.2 | | |
| 324 | N | 33.3 | Very low | 37 | Very low | 157 Ų | 157 | 132.8 Ų | 132.8 | 84% | 0.84 | 74% | 0.741 | S | S | * | * | | | trans | -159.7 | 43.5 | 155.3 | -111.3 | -41.2 | 0 | 0 | 0 | 114.3 | | |
| 325 | N | 34.7 | Very low | 37.5 | Very low | 159 Ų | 159 | 131.8 Ų | 131.8 | 85% | 0.85 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -147.1 | 91.5 | 176.8 | -90.3 | -46.2 | 0 | 0 | 0 | 111.1 | | |
| 326 | T | 36.6 | Very low | 38.2 | Very low | 134 Ų | 134 | 127.7 Ų | 127.7 | 82% | 0.822 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -179.7 | -28.7 | 156.7 | 13.7 | 0 | 0 | 0 | 0 | 114.5 | | |
| 327 | V | 39.5 | Very low | 38.4 | Very low | 119 Ų | 119 | 124.6 Ų | 124.6 | 72% | 0.721 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -84.1 | -32.2 | -161 | -172.9 | 0 | 0 | 0 | 0 | 114.7 | S329 | V327-S329 VanDerWaalsContact C-N 3.34Å; V327-S329 PolarHBondContact O-N 2.73Å |
| 328 | N | 37.8 | Very low | 39.1 | Very low | 136 Ų | 136 | 124.7 Ų | 124.7 | 73% | 0.727 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -87.3 | 19 | -165.5 | -64.6 | -11.3 | 0 | 0 | 0 | 116.1 | N332 | N328-N332 PolarHBondContact O-ND2 3.07Š|
| 329 | S | 37 | Very low | 39.7 | Very low | 76 Ų | 76 | 120.9 Ų | 120.9 | 53% | 0.531 | 66% | 0.658 | S | S | . | * | G | 310 helix | trans | -104.9 | -19.9 | -167.8 | -155.6 | 0 | 0 | 0 | 0 | 115.9 | V327 | V327-S329 VanDerWaalsContact C-N 3.34Å; V327-S329 PolarHBondContact O-N 2.73Å |
| 330 | L | 40.7 | Very low | 40.4 | Very low | 136 Ų | 136 | 121.2 Ų | 121.2 | 71% | 0.712 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -90.1 | -45.8 | -173.4 | -98.9 | 64.3 | 0 | 0 | 0 | 114 | N332 Q333 | L330-N332 PolarHBondContact O-N 2.9Å; L330-Q333 PolarHBondContact O-N 3.35Å |
| 331 | D | 44.5 | Very low | 41 | Very low | 115 Ų | 115 | 116.4 Ų | 116.4 | 62% | 0.615 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -71.5 | -29 | -168.6 | -59.6 | -51.2 | 0 | 0 | 0 | 114.2 | Q333 T334 I335 | D331-Q333 VanDerWaalsContact C-N 3.31Å; D331-Q333 PolarHBondContact O-N 3.08Å; D331-T334 PolarHBondContact O-N 3.34Å; D331-I335 PolarHBondContact O-N 2.76Å |
| 332 | N | 40.3 | Very low | 41.8 | Very low | 108 Ų | 108 | 117 Ų | 117 | 58% | 0.578 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66 | -29.9 | -177.9 | -74.3 | -54.3 | 0 | 0 | 0 | 113.3 | N328 L330 D336 | N328-N332 PolarHBondContact O-ND2 3.07Å; L330-N332 PolarHBondContact O-N 2.9Å; N332-D336 PolarHBondContact O-N 2.72Å |
| 333 | Q | 43.3 | Very low | 42.4 | Very low | 147 Ų | 147 | 115.2 Ų | 115.2 | 69% | 0.687 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -73 | -35.9 | 179.2 | -60.8 | -168.6 | 21 | 0 | 0 | 111.8 | L330 D331 D336 S337 | L330-Q333 PolarHBondContact O-N 3.35Å; D331-Q333 VanDerWaalsContact C-N 3.31Å; D331-Q333 PolarHBondContact O-N 3.08Å; Q333-D336 PolarHBondContact O-N 3.02Å; Q333-S337 PolarHBondContact O-N 3.47Å; Q333-S337 VanDerWaalsContact O-N 3.11Å |
| 334 | T | 47.7 | Very low | 42.9 | Very low | 84 Ų | 84 | 114.3 Ų | 114.3 | 52% | 0.515 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63.5 | -44.4 | 177.8 | -50.8 | 0 | 0 | 0 | 0 | 111.1 | D331 S337 H338 | D331-T334 PolarHBondContact O-N 3.34Å; T334-S337 PolarHBondContact O-N 2.85Å; T334-S337 PolarHBondContact O-OG 3.26Å; T334-H338 PolarHBondContact O-N 3.36Å |
| 335 | I | 47.7 | Very low | 43.4 | Very low | 94 Ų | 94 | 113.4 Ų | 113.4 | 48% | 0.482 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.5 | -47.2 | 178.8 | -63.3 | 168.4 | 0 | 0 | 0 | 110.8 | D331 S337 H338 F339 | D331-I335 PolarHBondContact O-N 2.76Å; I335-S337 VanDerWaalsContact C-N 3.25Å; I335-S337 PolarHBondContact O-N 2.98Å; I335-H338 PolarHBondContact O-N 3.11Å; I335-H338 VanDerWaalsContact O-N 3.12Å; I335-F339 HydrophobicContact CG2-CD2 3.96Å; I335-F339 HydrophobicContact CG2-CE2 4.08Å; I335-F339 PolarHBondContact O-N 3.36Å |
| 336 | D | 45.7 | Very low | 43.6 | Very low | 84 Ų | 84 | 112.9 Ų | 112.9 | 45% | 0.449 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.2 | -29.3 | -179.3 | -155.3 | 41 | 0 | 0 | 0 | 112.2 | N332 Q333 K340 | N332-D336 PolarHBondContact O-N 2.72Å; Q333-D336 PolarHBondContact O-N 3.02Å; D336-K340 PolarHBondContact O-N 2.99Å; D336-K340 VanDerWaalsContact O-N 3.11Å; D336-K340 IonicContact OD2-NZ 2.77Å; D336-K340 PolarHBondContact OD2-NZ 2.96Å |
| 337 | S | 44.8 | Very low | 44.3 | Very low | 65 Ų | 65 | 109.7 Ų | 109.7 | 46% | 0.455 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.9 | -41.8 | 172 | 85.3 | 0 | 0 | 0 | 0 | 112.6 | Q333 T334 I335 K340 S341 | Q333-S337 PolarHBondContact O-N 3.47Å; Q333-S337 VanDerWaalsContact O-N 3.11Å; T334-S337 PolarHBondContact O-N 2.85Å; T334-S337 PolarHBondContact O-OG 3.26Å; I335-S337 VanDerWaalsContact C-N 3.25Å; I335-S337 PolarHBondContact O-N 2.98Å; S337-K340 PolarHBondContact O-N 3.46Å; S337-S341 PolarHBondContact O-N 3.16Å; S337-S341 PolarHBondContact O-OG 2.69Å |
| 338 | H | 47 | Very low | 44.6 | Very low | 115 Ų | 115 | 108.9 Ų | 108.9 | 53% | 0.532 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69 | -32.5 | 176.3 | -96.1 | -95.1 | 0 | 0 | 0 | 112.8 | T334 I335 S341 N342 | T334-H338 PolarHBondContact O-N 3.36Å; I335-H338 PolarHBondContact O-N 3.11Å; I335-H338 VanDerWaalsContact O-N 3.12Å; H338-S341 PolarHBondContact O-OG 3.47Å; H338-N342 WeakPolarHBondContact O-CB 3.45Å; H338-N342 PolarHBondContact O-N 3.37Å; H338-N342 PolarHBondContact O-ND2 3.43Å |
| 339 | F | 44.8 | Very low | 45.2 | Very low | 97 Ų | 97 | 110.6 Ų | 110.6 | 43% | 0.425 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.3 | -43.1 | 172 | -92.2 | -82.9 | 0 | 0 | 0 | 112.1 | I335 Y343 Q530 | I335-F339 HydrophobicContact CG2-CD2 3.96Å; I335-F339 HydrophobicContact CG2-CE2 4.08Å; I335-F339 PolarHBondContact O-N 3.36Å; F339-Y343 WeakPolarHBondContact O-CB 3.48Å; F339-Y343 PolarHBondContact O-N 3.43Å; F339-Q530 VanDerWaalsContact CZ-OE1 3.31Å |
| 340 | K | 51.6 | Low | 45.6 | Very low | 130 Ų | 130 | 110.8 Ų | 110.8 | 57% | 0.565 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.6 | -37.6 | 177.7 | -83.7 | 164.4 | -179.6 | 139 | 0 | 113.6 | D336 S337 K344 | D336-K340 PolarHBondContact O-N 2.99Å; D336-K340 VanDerWaalsContact O-N 3.11Å; D336-K340 IonicContact OD2-NZ 2.77Å; D336-K340 PolarHBondContact OD2-NZ 2.96Å; S337-K340 PolarHBondContact O-N 3.46Å; K340-K344 PolarHBondContact O-N 3.28Å; K340-K344 VanDerWaalsContact O-N 3.14Å |
| 341 | S | 46.5 | Very low | 45.6 | Very low | 50 Ų | 50 | 106.8 Ų | 106.8 | 35% | 0.35 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.1 | -47.9 | 177.1 | 63.2 | 0 | 0 | 0 | 0 | 111.7 | S337 H338 Y343 K344 H345 | S337-S341 PolarHBondContact O-N 3.16Å; S337-S341 PolarHBondContact O-OG 2.69Å; H338-S341 PolarHBondContact O-OG 3.47Å; S341-Y343 PolarHBondContact O-N 3.4Å; S341-K344 PolarHBondContact O-N 3.47Å; S341-H345 PolarHBondContact O-CD2 3.25Å; S341-H345 VanDerWaalsContact O-CD2 3.32Å; S341-H345 PolarHBondContact O-N 3.22Å |
| 342 | N | 47.2 | Very low | 45.5 | Very low | 103 Ų | 103 | 104.1 Ų | 104.1 | 55% | 0.551 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.1 | -41 | 178.2 | -77.9 | -53.5 | 0 | 0 | 0 | 112.6 | H338 H345 F346 | H338-N342 WeakPolarHBondContact O-CB 3.45Å; H338-N342 PolarHBondContact O-N 3.37Å; H338-N342 PolarHBondContact O-ND2 3.43Å; N342-H345 PolarHBondContact O-N 3.17Å; N342-F346 PolarHBondContact O-N 3.39Å |
| 343 | Y | 43.1 | Very low | 45.4 | Very low | 149 Ų | 149 | 101.4 Ų | 101.4 | 58% | 0.584 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.8 | -42.8 | 174.5 | -113.2 | -81.3 | 0 | 0 | 0 | 112.3 | F339 S341 H345 F346 T347 | F339-Y343 WeakPolarHBondContact O-CB 3.48Å; F339-Y343 PolarHBondContact O-N 3.43Å; S341-Y343 PolarHBondContact O-N 3.4Å; Y343-H345 PolarHBondContact O-N 3.15Å; Y343-F346 PolarHBondContact O-N 3.11Å; Y343-T347 PolarHBondContact O-N 3.25Å; Y343-T347 PolarHBondContact O-OG1 3.22Å |
| 344 | K | 46.7 | Very low | 45.2 | Very low | 142 Ų | 142 | 96.8 Ų | 96.8 | 62% | 0.617 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.1 | -42.1 | 174.7 | -84.2 | -173.5 | 172.6 | -174.9 | 0 | 112.5 | K340 S341 F346 T347 N348 | K340-K344 PolarHBondContact O-N 3.28Å; K340-K344 VanDerWaalsContact O-N 3.14Å; S341-K344 PolarHBondContact O-N 3.47Å; K344-F346 VanDerWaalsContact C-N 3.34Å; K344-F346 PolarHBondContact O-N 3.3Å; K344-T347 PolarHBondContact O-OG1 3.07Å; K344-T347 VanDerWaalsContact O-OG1 3.13Å; K344-N348 WeakPolarHBondContact O-CB 3.26Å; K344-N348 PolarHBondContact O-N 3.45Å; K344-N348 PolarHBondContact O-OD1 3.03Å |
| 345 | H | 43.3 | Very low | 45.1 | Very low | 139 Ų | 139 | 96.7 Ų | 96.7 | 64% | 0.644 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.6 | -37.9 | 176.9 | -84.1 | -73.8 | 0 | 0 | 0 | 112.3 | S341 N342 Y343 K349 | S341-H345 PolarHBondContact O-CD2 3.25Å; S341-H345 VanDerWaalsContact O-CD2 3.32Å; S341-H345 PolarHBondContact O-N 3.22Å; N342-H345 PolarHBondContact O-N 3.17Å; Y343-H345 PolarHBondContact O-N 3.15Å; H345-K349 PolarHBondContact O-N 2.89Å |
| 346 | F | 39.7 | Very low | 44.9 | Very low | 147 Ų | 147 | 95 Ų | 95 | 65% | 0.645 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66 | -51.7 | 174.9 | -167.4 | -94 | 0 | 0 | 0 | 111.7 | N342 Y343 K344 N348 K349 T350 | N342-F346 PolarHBondContact O-N 3.39Å; Y343-F346 PolarHBondContact O-N 3.11Å; K344-F346 VanDerWaalsContact C-N 3.34Å; K344-F346 PolarHBondContact O-N 3.3Å; F346-N348 VanDerWaalsContact C-N 3.3Å; F346-N348 PolarHBondContact O-N 3.27Å; F346-K349 PolarHBondContact O-N 3.32Å; F346-T350 PolarHBondContact O-N 3.15Å; F346-T350 PolarHBondContact O-OG1 3.21Å |
| 347 | T | 51.8 | Low | 44.8 | Very low | 68 Ų | 68 | 97.4 Ų | 97.4 | 42% | 0.417 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.4 | -38.6 | 179.3 | 54.8 | 0 | 0 | 0 | 0 | 112.3 | Y343 K344 T350 A351 | Y343-T347 PolarHBondContact O-N 3.25Å; Y343-T347 PolarHBondContact O-OG1 3.22Å; K344-T347 PolarHBondContact O-OG1 3.07Å; K344-T347 VanDerWaalsContact O-OG1 3.13Å; T347-T350 PolarHBondContact O-N 3.37Å; T347-A351 VanDerWaalsContact O-CB 3.26Å; T347-A351 WeakPolarHBondContact O-CB 3.46Å; T347-A351 PolarHBondContact O-N 3.09Å |
| 348 | N | 46.5 | Very low | 44.5 | Very low | 102 Ų | 102 | 101.2 Ų | 101.2 | 55% | 0.545 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -71.9 | -34.8 | 180 | -69 | 8.1 | 0 | 0 | 0 | 112.1 | K344 F346 A352 | K344-N348 WeakPolarHBondContact O-CB 3.26Å; K344-N348 PolarHBondContact O-N 3.45Å; K344-N348 PolarHBondContact O-OD1 3.03Å; F346-N348 VanDerWaalsContact C-N 3.3Å; F346-N348 PolarHBondContact O-N 3.27Å; N348-A352 WeakPolarHBondContact O-CB 3.44Å; N348-A352 PolarHBondContact O-N 3.3Å |
| 349 | K | 48.7 | Very low | 44.1 | Very low | 172 Ų | 172 | 100.6 Ų | 100.6 | 75% | 0.748 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.7 | -40.8 | 171.5 | -105.9 | -177 | 174.4 | 178.9 | 0 | 112 | H345 F346 A353 | H345-K349 PolarHBondContact O-N 2.89Å; F346-K349 PolarHBondContact O-N 3.32Å; K349-A353 WeakPolarHBondContact O-CB 3.4Å; K349-A353 PolarHBondContact O-N 3.36Å |
| 350 | T | 45.3 | Very low | 43.7 | Very low | 80 Ų | 80 | 100.2 Ų | 100.2 | 49% | 0.491 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.5 | -41.2 | 175.9 | -54.1 | 0 | 0 | 0 | 0 | 112 | F346 T347 A353 A354 | F346-T350 PolarHBondContact O-N 3.15Å; F346-T350 PolarHBondContact O-OG1 3.21Å; T347-T350 PolarHBondContact O-N 3.37Å; T350-A353 PolarHBondContact O-N 3.5Å; T350-A354 PolarHBondContact O-N 2.69Å |
| 351 | A | 40.8 | Very low | 42.8 | Very low | 51 Ų | 51 | 98.7 Ų | 98.7 | 42% | 0.421 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.4 | -42.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T347 A353 A354 V355 | T347-A351 VanDerWaalsContact O-CB 3.26Å; T347-A351 WeakPolarHBondContact O-CB 3.46Å; T347-A351 PolarHBondContact O-N 3.09Å; A351-A353 VanDerWaalsContact C-N 3.33Å; A351-A353 PolarHBondContact O-N 3.5Å; A351-A354 PolarHBondContact O-N 3.09Å; A351-V355 WeakPolarHBondContact O-CG2 3.49Å; A351-V355 PolarHBondContact O-N 2.71Å |
| 352 | A | 42.6 | Very low | 42.2 | Very low | 60 Ų | 60 | 102.3 Ų | 102.3 | 50% | 0.496 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.4 | -39.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | N348 A356 | N348-A352 WeakPolarHBondContact O-CB 3.44Å; N348-A352 PolarHBondContact O-N 3.3Å; A352-A356 VanDerWaalsContact O-CB 3.26Å; A352-A356 WeakPolarHBondContact O-CB 3.42Å; A352-A356 PolarHBondContact O-N 3.14Å |
| 353 | A | 38.9 | Very low | 41.5 | Very low | 51 Ų | 51 | 100.1 Ų | 100.1 | 42% | 0.421 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.5 | -35.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | K349 T350 A351 M357 | K349-A353 WeakPolarHBondContact O-CB 3.4Å; K349-A353 PolarHBondContact O-N 3.36Å; T350-A353 PolarHBondContact O-N 3.5Å; A351-A353 VanDerWaalsContact C-N 3.33Å; A351-A353 PolarHBondContact O-N 3.5Å; A353-M357 WeakPolarHBondContact O-CG 3.42Å; A353-M357 PolarHBondContact O-N 3.47Å |
| 354 | A | 38.8 | Very low | 40.8 | Very low | 49 Ų | 49 | 96.8 Ų | 96.8 | 41% | 0.405 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.8 | -48.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | T350 A351 A356 M357 E358 | T350-A354 PolarHBondContact O-N 2.69Å; A351-A354 PolarHBondContact O-N 3.09Å; A354-A356 VanDerWaalsContact C-N 3.28Å; A354-A356 PolarHBondContact O-N 3.37Å; A354-M357 PolarHBondContact O-N 3.24Å; A354-E358 PolarHBondContact O-N 2.72Å |
| 355 | V | 44.6 | Very low | 40.2 | Very low | 83 Ų | 83 | 98.2 Ų | 98.2 | 50% | 0.503 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -62.5 | -34.6 | 177.5 | 172.6 | 0 | 0 | 0 | 0 | 111.7 | A351 E358 T359 | A351-V355 WeakPolarHBondContact O-CG2 3.49Å; A351-V355 PolarHBondContact O-N 2.71Å; V355-E358 PolarHBondContact O-N 3.32Å; V355-T359 HydrophobicContact CG1-CG2 4.49Å; V355-T359 WeakPolarHBondContact O-CB 3.44Å; V355-T359 WeakPolarHBondContact O-CG2 3.45Å; V355-T359 PolarHBondContact O-N 3.11Å; V355-T359 PolarHBondContact O-OG1 3.26Å |
| 356 | A | 44.3 | Very low | 39.6 | Very low | 57 Ų | 57 | 99.6 Ų | 99.6 | 47% | 0.471 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.3 | -31 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A352 A354 A360 | A352-A356 VanDerWaalsContact O-CB 3.26Å; A352-A356 WeakPolarHBondContact O-CB 3.42Å; A352-A356 PolarHBondContact O-N 3.14Å; A354-A356 VanDerWaalsContact C-N 3.28Å; A354-A356 PolarHBondContact O-N 3.37Å; A356-A360 VanDerWaalsContact O-CB 3.29Å; A356-A360 WeakPolarHBondContact O-CB 3.49Å; A356-A360 PolarHBondContact O-N 3.46Å |
| 357 | M | 42.8 | Very low | 39.4 | Very low | 135 Ų | 135 | 99.9 Ų | 99.9 | 67% | 0.665 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -79.2 | -32.9 | 173.4 | -73.3 | -171.8 | -70.2 | 0 | 0 | 112.7 | A353 A354 S361 | A353-M357 WeakPolarHBondContact O-CG 3.42Å; A353-M357 PolarHBondContact O-N 3.47Å; A354-M357 PolarHBondContact O-N 3.24Å; M357-S361 PolarHBondContact O-N 3.12Å |
| 358 | E | 40.3 | Very low | 38.4 | Very low | 145 Ų | 145 | 101.6 Ų | 101.6 | 68% | 0.678 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -72.1 | -38.2 | 178.5 | -161.2 | 159.4 | -144.5 | 0 | 0 | 111.7 | A354 V355 V362 | A354-E358 PolarHBondContact O-N 2.72Å; V355-E358 PolarHBondContact O-N 3.32Å; E358-V362 PolarHBondContact O-N 3.08Å |
| 359 | T | 37.4 | Very low | 37.5 | Very low | 102 Ų | 102 | 99.5 Ų | 99.5 | 63% | 0.626 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -76.6 | -17.8 | 175.5 | 50.2 | 0 | 0 | 0 | 0 | 114.6 | V355 | V355-T359 HydrophobicContact CG1-CG2 4.49Å; V355-T359 WeakPolarHBondContact O-CB 3.44Å; V355-T359 WeakPolarHBondContact O-CG2 3.45Å; V355-T359 PolarHBondContact O-N 3.11Å; V355-T359 PolarHBondContact O-OG1 3.26Å |
| 360 | A | 36 | Very low | 36.8 | Very low | 89 Ų | 89 | 101.8 Ų | 101.8 | 74% | 0.736 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -90.2 | -10.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A356 | A356-A360 VanDerWaalsContact O-CB 3.29Å; A356-A360 WeakPolarHBondContact O-CB 3.49Å; A356-A360 PolarHBondContact O-N 3.46Å |
| 361 | S | 34 | Very low | 36.5 | Very low | 99 Ų | 99 | 104.8 Ų | 104.8 | 69% | 0.692 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -118.2 | -19.3 | -173.3 | -167.2 | 0 | 0 | 0 | 0 | 114.9 | M357 | M357-S361 PolarHBondContact O-N 3.12Å |
| 362 | V | 33.7 | Very low | 35.9 | Very low | 126 Ų | 126 | 110.1 Ų | 110.1 | 76% | 0.764 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -139 | 81 | -179.1 | -169.7 | 0 | 0 | 0 | 0 | 110 | E358 | E358-V362 PolarHBondContact O-N 3.08Š|
| 363 | G | 31.6 | Very low | 35.7 | Very low | 57 Ų | 57 | 111.5 Ų | 111.5 | 59% | 0.588 | 69% | 0.694 | S | S | * | * | | | trans | -148.1 | 59.3 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | M365 | G363-M365 PolarHBondContact O-N 2.92Å; G363-M365 VanDerWaalsContact O-N 3.11Å |
| 364 | G | 30.2 | Very low | 35.3 | Very low | 78 Ų | 78 | 114.9 Ų | 114.9 | 80% | 0.804 | 71% | 0.714 | S | S | * | * | | | trans | -65.8 | 106.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | N366 | G364-N366 PolarHBondContact O-N 2.79Š|
| 365 | M | 34.1 | Very low | 35.5 | Very low | 173 Ų | 173 | 120 Ų | 120 | 85% | 0.852 | 73% | 0.734 | S | S | * | * | | | trans | -72.9 | 79.6 | -176.5 | -70.7 | -176.1 | -76.2 | 0 | 0 | 113.1 | G363 I367 | G363-M365 PolarHBondContact O-N 2.92Å; G363-M365 VanDerWaalsContact O-N 3.11Å; M365-I367 PolarHBondContact O-N 2.86Å |
| 366 | N | 30.2 | Very low | 35.1 | Very low | 168 Ų | 168 | 122.1 Ų | 122.1 | 90% | 0.898 | 74% | 0.743 | S | S | * | * | | | trans | -76.8 | 74.9 | 163 | -90.5 | -29.8 | 0 | 0 | 0 | 110.7 | G364 | G364-N366 PolarHBondContact O-N 2.79Š|
| 367 | I | 34.8 | Very low | 34.7 | Very low | 152 Ų | 152 | 124.8 Ų | 124.8 | 78% | 0.779 | 75% | 0.748 | S | S | * | * | | | trans | -101.1 | 104.6 | 160.4 | -63.2 | -179 | 0 | 0 | 0 | 107.1 | M365 | M365-I367 PolarHBondContact O-N 2.86Š|
| 368 | A | 30.8 | Very low | 34.6 | Very low | 105 Ų | 105 | 123.7 Ų | 123.7 | 87% | 0.868 | 75% | 0.749 | S | S | * | * | | | trans | -77.4 | 122.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 369 | G | 28.4 | Very low | 34.7 | Very low | 57 Ų | 57 | 119.5 Ų | 119.5 | 59% | 0.588 | 74% | 0.735 | S | S | * | * | | | trans | 155.6 | 143.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 370 | Y | 34.2 | Very low | 35.4 | Very low | 221 Ų | 221 | 120 Ų | 120 | 87% | 0.867 | 74% | 0.741 | S | S | * | * | | | trans | 67.1 | 69.5 | 167.8 | -50 | -72.3 | 0 | 0 | 0 | 117.7 | | |
| 371 | N | 37.1 | Very low | 36 | Very low | 142 Ų | 142 | 119.9 Ų | 119.9 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | | | | 39.9 | 109.8 | 124.9 | -54.9 | -13.1 | 0 | 0 | 0 | 119.5 | | |
| 372 | N | 29 | Very low | 36.5 | Very low | 164 Ų | 164 | 120 Ų | 120 | 88% | 0.877 | 72% | 0.715 | S | S | * | * | | | trans | 57.3 | 73.4 | 133.7 | -56.2 | -13.5 | 0 | 0 | 0 | 118.8 | | |
| 373 | A | 37.8 | Very low | 37.4 | Very low | 88 Ų | 88 | 119.8 Ų | 119.8 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | | | trans | -140.4 | 100.9 | 152.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L375 | A373-L375 PolarHBondContact O-N 3Š|
| 374 | S | 31.7 | Very low | 38.5 | Very low | 122 Ų | 122 | 124.1 Ų | 124.1 | 85% | 0.853 | 71% | 0.708 | S | S | * | * | | | trans | -78.7 | 95.5 | -179.9 | 54.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 375 | L | 41.9 | Very low | 39.2 | Very low | 156 Ų | 156 | 126 Ų | 126 | 82% | 0.817 | 70% | 0.695 | S | S | * | * | | | trans | -95.1 | 98.2 | 173 | -70.3 | 177.5 | 0 | 0 | 0 | 110.9 | A373 I377 | A373-L375 PolarHBondContact O-N 3Å; L375-I377 PolarHBondContact O-N 3.38Å |
| 376 | N | 37.5 | Very low | 39.8 | Very low | 128 Ų | 128 | 124.3 Ų | 124.3 | 68% | 0.684 | 69% | 0.687 | S | S | * | * | | | trans | -75.2 | 100 | 179.2 | -179.9 | 22.5 | 0 | 0 | 0 | 111.6 | T378 | N376-T378 VanDerWaalsContact C-N 3.32Å; N376-T378 PolarHBondContact ND2-OG1 3.44Å; N376-T378 VanDerWaalsContact ND2-OG1 3.12Å; N376-T378 PolarHBondContact O-N 2.97Å; N376-T378 VanDerWaalsContact O-N 3.08Å; N376-T378 WeakPolarHBondContact OD1-CG2 3.32Å; N376-T378 PolarHBondContact OD1-OG1 2.99Å |
| 377 | I | 35.7 | Very low | 40.6 | Very low | 113 Ų | 113 | 118.3 Ų | 118.3 | 58% | 0.579 | 67% | 0.665 | S | S | * | * | | | trans | -85.1 | 74.2 | 177.7 | -54.9 | -179.8 | 0 | 0 | 0 | 110 | L375 M382 | L375-I377 PolarHBondContact O-N 3.38Å; I377-M382 HydrophobicContact CB-CE 4.39Å; I377-M382 HydrophobicContact CG1-CE 4.03Å; I377-M382 HydrophobicContact CG2-CE 3.93Å |
| 378 | T | 40.7 | Very low | 41.3 | Very low | 112 Ų | 112 | 115.7 Ų | 115.7 | 69% | 0.687 | 65% | 0.649 | S | S | * | * | | | trans | -122.5 | 70.5 | 169.7 | 51.6 | 0 | 0 | 0 | 0 | 111.2 | N376 | N376-T378 VanDerWaalsContact C-N 3.32Å; N376-T378 PolarHBondContact ND2-OG1 3.44Å; N376-T378 VanDerWaalsContact ND2-OG1 3.12Å; N376-T378 PolarHBondContact O-N 2.97Å; N376-T378 VanDerWaalsContact O-N 3.08Å; N376-T378 WeakPolarHBondContact OD1-CG2 3.32Å; N376-T378 PolarHBondContact OD1-OG1 2.99Å |
| 379 | S | 41.4 | Very low | 41.9 | Very low | 57 Ų | 57 | 117.1 Ų | 117.1 | 40% | 0.399 | 64% | 0.642 | S | S | . | * | | | trans | -148.4 | 124.9 | 165.3 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | E381 M382 | S379-E381 PolarHBondContact O-N 2.98Å; S379-E381 VanDerWaalsContact O-N 3.11Å; S379-M382 PolarHBondContact O-N 3.32Å |
| 380 | P | 52 | Low | 42.5 | Very low | 113 Ų | 113 | 121.1 Ų | 121.1 | 73% | 0.734 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -57.2 | -24.8 | -179.9 | -28 | 36.2 | 0 | 0 | 0 | 115.1 | I383 R384 | P380-I383 PolarHBondContact O-N 3.18Å; P380-R384 PolarHBondContact O-N 3.36Å |
| 381 | E | 49.5 | Very low | 43 | Very low | 86 Ų | 86 | 115.7 Ų | 115.7 | 40% | 0.402 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -72.5 | -28.6 | -179.2 | -79.1 | -71.2 | -165.2 | 0 | 0 | 113.9 | S379 I383 R384 H385 | S379-E381 PolarHBondContact O-N 2.98Å; S379-E381 VanDerWaalsContact O-N 3.11Å; E381-I383 VanDerWaalsContact C-N 3.31Å; E381-I383 PolarHBondContact O-N 3.49Å; E381-R384 VanDerWaalsContact CD-NH2 3.32Å; E381-R384 WeakPolarHBondContact O-CB 3.5Å; E381-R384 PolarHBondContact O-N 2.95Å; E381-R384 VanDerWaalsContact O-N 3.14Å; E381-R384 IonicContact OE1-CZ 2.76Å; E381-R384 IonicContact OE1-NE 2.71Å; E381-R384 IonicContact OE1-NH2 3.22Å; E381-R384 PolarHBondContact OE1-NH2 3.4Å; E381-R384 IonicContact OE2-CZ 3.4Å; E381-R384 IonicContact OE2-NE 2.91Å; E381-R384 PolarHBondContact OE2-NE 3.18Å; E381-R384 IonicContact OE2-NH2 3.29Å; E381-R384 PolarHBondContact OE2-NH2 3.11Å; E381-R384 VanDerWaalsContact OE2-NH2 3.09Å; E381-H385 PolarHBondContact O-N 3.01Å |
| 382 | M | 44.6 | Very low | 43.2 | Very low | 101 Ų | 101 | 115 Ų | 115 | 50% | 0.498 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -70.3 | -31.3 | 176.6 | -65.7 | -139.5 | -61.9 | 0 | 0 | 112 | I377 S379 R384 H385 M386 | I377-M382 HydrophobicContact CB-CE 4.39Å; I377-M382 HydrophobicContact CG1-CE 4.03Å; I377-M382 HydrophobicContact CG2-CE 3.93Å; S379-M382 PolarHBondContact O-N 3.32Å; M382-R384 VanDerWaalsContact C-N 3.29Å; M382-H385 PolarHBondContact O-N 3.41Å; M382-M386 PolarHBondContact O-N 3.23Å |
| 383 | I | 52.5 | Low | 43.9 | Very low | 123 Ų | 123 | 111.7 Ų | 111.7 | 63% | 0.631 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.7 | -38.1 | 170.9 | -60.5 | 175.3 | 0 | 0 | 0 | 109.9 | P380 E381 M386 G387 | P380-I383 PolarHBondContact O-N 3.18Å; E381-I383 VanDerWaalsContact C-N 3.31Å; E381-I383 PolarHBondContact O-N 3.49Å; I383-M386 PolarHBondContact O-N 3.46Å; I383-G387 PolarHBondContact O-N 2.93Å |
| 384 | R | 53.5 | Low | 44.1 | Very low | 148 Ų | 148 | 111.1 Ų | 111.1 | 56% | 0.558 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68.3 | -38.9 | 178.8 | -149 | 163.2 | 67.7 | 113.8 | -4.5 | 112.4 | P380 E381 M382 Q388 | P380-R384 PolarHBondContact O-N 3.36Å; E381-R384 VanDerWaalsContact CD-NH2 3.32Å; E381-R384 WeakPolarHBondContact O-CB 3.5Å; E381-R384 PolarHBondContact O-N 2.95Å; E381-R384 VanDerWaalsContact O-N 3.14Å; E381-R384 IonicContact OE1-CZ 2.76Å; E381-R384 IonicContact OE1-NE 2.71Å; E381-R384 IonicContact OE1-NH2 3.22Å; E381-R384 PolarHBondContact OE1-NH2 3.4Å; E381-R384 IonicContact OE2-CZ 3.4Å; E381-R384 IonicContact OE2-NE 2.91Å; E381-R384 PolarHBondContact OE2-NE 3.18Å; E381-R384 IonicContact OE2-NH2 3.29Å; E381-R384 PolarHBondContact OE2-NH2 3.11Å; E381-R384 VanDerWaalsContact OE2-NH2 3.09Å; M382-R384 VanDerWaalsContact C-N 3.29Å; R384-Q388 WeakPolarHBondContact O-CG 3.28Å; R384-Q388 PolarHBondContact O-N 3.01Å |
| 385 | H | 46.4 | Very low | 45.2 | Very low | 116 Ų | 116 | 109.6 Ų | 109.6 | 54% | 0.537 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -72.3 | -35.8 | 173.3 | -86.3 | -70.8 | 0 | 0 | 0 | 114 | E381 M382 Q388 N389 | E381-H385 PolarHBondContact O-N 3.01Å; M382-H385 PolarHBondContact O-N 3.41Å; H385-Q388 PolarHBondContact ND1-OE1 2.89Å; H385-Q388 PolarHBondContact O-N 3Å; H385-N389 PolarHBondContact O-N 3.39Å |
| 386 | M | 45.5 | Very low | 46.1 | Very low | 138 Ų | 138 | 107.5 Ų | 107.5 | 68% | 0.68 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.5 | -37.8 | 170.9 | -88.3 | -177.1 | 159.7 | 0 | 0 | 112.4 | M382 I383 Q388 N389 M390 | M382-M386 PolarHBondContact O-N 3.23Å; I383-M386 PolarHBondContact O-N 3.46Å; M386-Q388 PolarHBondContact O-N 3.35Å; M386-N389 PolarHBondContact O-N 2.71Å; M386-M390 PolarHBondContact O-N 3Å |
| 387 | G | 48.4 | Very low | 47.4 | Very low | 43 Ų | 43 | 107 Ų | 107 | 44% | 0.443 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.3 | -27.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113.9 | I383 | I383-G387 PolarHBondContact O-N 2.93Å |
| 388 | Q | 48 | Very low | 48.8 | Very low | 96 Ų | 96 | 103.5 Ų | 103.5 | 45% | 0.449 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -74.3 | -40.7 | 174.8 | -71.9 | 167.7 | -11.5 | 0 | 0 | 112.3 | R384 H385 M386 M390 T391 | R384-Q388 WeakPolarHBondContact O-CG 3.28Å; R384-Q388 PolarHBondContact O-N 3.01Å; H385-Q388 PolarHBondContact ND1-OE1 2.89Å; H385-Q388 PolarHBondContact O-N 3Å; M386-Q388 PolarHBondContact O-N 3.35Å; Q388-M390 PolarHBondContact O-N 3.43Å; Q388-T391 WeakPolarHBondContact O-CB 3.36Å; Q388-T391 WeakPolarHBondContact O-CG2 3.43Å; Q388-T391 PolarHBondContact O-N 2.85Å; Q388-T391 PolarHBondContact O-OG1 3.49Å |
| 389 | N | 43.6 | Very low | 49.9 | Very low | 135 Ų | 135 | 101 Ų | 101 | 72% | 0.722 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -78 | -13.8 | -175.1 | -78.3 | -11.5 | 0 | 0 | 0 | 115.1 | H385 M386 T391 | H385-N389 PolarHBondContact O-N 3.39Å; M386-N389 PolarHBondContact O-N 2.71Å; N389-T391 VanDerWaalsContact C-N 3.27Å; N389-T391 PolarHBondContact O-N 3.03Å |
| 390 | M | 40.6 | Very low | 51.3 | Low | 142 Ų | 142 | 103.2 Ų | 103.2 | 70% | 0.7 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -3.3 | 172.1 | -70.4 | -166.1 | -69.5 | 0 | 0 | 114.2 | M386 Q388 V392 | M386-M390 PolarHBondContact O-N 3Å; Q388-M390 PolarHBondContact O-N 3.43Å; M390-V392 PolarHBondContact O-N 3.33Å |
| 391 | T | 44.9 | Very low | 52.2 | Low | 107 Ų | 107 | 100.2 Ų | 100.2 | 66% | 0.656 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -9.1 | -178.3 | 59.2 | 0 | 0 | 0 | 0 | 114.7 | Q388 N389 T393 | Q388-T391 WeakPolarHBondContact O-CB 3.36Å; Q388-T391 WeakPolarHBondContact O-CG2 3.43Å; Q388-T391 PolarHBondContact O-N 2.85Å; Q388-T391 PolarHBondContact O-OG1 3.49Å; N389-T391 VanDerWaalsContact C-N 3.27Å; N389-T391 PolarHBondContact O-N 3.03Å; T391-T393 PolarHBondContact O-N 3.28Å; T391-T393 VanDerWaalsContact O-N 3.16Å |
| 392 | V | 42.5 | Very low | 53.2 | Low | 126 Ų | 126 | 100.9 Ų | 100.9 | 76% | 0.764 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -85.8 | 27.5 | -175.5 | -153 | 0 | 0 | 0 | 0 | 113 | M390 | M390-V392 PolarHBondContact O-N 3.33Š|
| 393 | T | 43.4 | Very low | 54.6 | Low | 96 Ų | 96 | 98.9 Ų | 98.9 | 59% | 0.589 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -127 | 143.9 | 173.7 | 58.9 | 0 | 0 | 0 | 0 | 110.3 | T391 S395 | T391-T393 PolarHBondContact O-N 3.28Å; T391-T393 VanDerWaalsContact O-N 3.16Å; T393-S395 PolarHBondContact O-N 3.49Å; T393-S395 VanDerWaalsContact O-N 3.15Å |
| 394 | S | 42.1 | Very low | 55.7 | Low | 76 Ų | 76 | 95.8 Ų | 95.8 | 53% | 0.531 | 57% | 0.568 | S | S | . | * | | | trans | -40.7 | 115.1 | -164 | 60.7 | 0 | 0 | 0 | 0 | 114.1 | N396 N397 | S394-N396 PolarHBondContact O-N 2.91Å; S394-N397 PolarHBondContact O-N 2.96Å; S394-N397 PolarHBondContact OG-ND2 2.89Å |
| 395 | S | 55.7 | Low | 56.8 | Low | 89 Ų | 89 | 94.5 Ų | 94.5 | 62% | 0.622 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -43.1 | -43.1 | -168.5 | 52.9 | 0 | 0 | 0 | 0 | 115.2 | T393 N397 A398 A399 | T393-S395 PolarHBondContact O-N 3.49Å; T393-S395 VanDerWaalsContact O-N 3.15Å; S395-N397 PolarHBondContact O-N 3.06Å; S395-A398 PolarHBondContact O-N 3.26Å; S395-A399 WeakPolarHBondContact O-CB 3.45Å; S395-A399 PolarHBondContact O-N 3.34Å |
| 396 | N | 60.1 | Low | 58.2 | Low | 113 Ų | 113 | 91.7 Ų | 91.7 | 60% | 0.604 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61.3 | -38.1 | -177 | -63.2 | -26 | 0 | 0 | 0 | 113.4 | S394 V400 | S394-N396 PolarHBondContact O-N 2.91Å; N396-V400 WeakPolarHBondContact O-CG2 3.47Å; N396-V400 PolarHBondContact O-N 2.83Å |
| 397 | N | 64.5 | Low | 59.7 | Low | 116 Ų | 116 | 88 Ų | 88 | 62% | 0.62 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -76.7 | -41.2 | -178.2 | -69.1 | -16.5 | 0 | 0 | 0 | 111.4 | S394 S395 V400 A401 | S394-N397 PolarHBondContact O-N 2.96Å; S394-N397 PolarHBondContact OG-ND2 2.89Å; S395-N397 PolarHBondContact O-N 3.06Å; N397-V400 PolarHBondContact O-N 3Å; N397-A401 PolarHBondContact O-N 3.02Å |
| 398 | A | 64.3 | Low | 61.1 | Low | 40 Ų | 40 | 88.6 Ų | 88.6 | 33% | 0.331 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.7 | -42.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | S395 V400 A401 V402 | S395-A398 PolarHBondContact O-N 3.26Å; A398-V400 PolarHBondContact O-N 3.05Å; A398-A401 PolarHBondContact O-N 3.21Å; A398-V402 WeakPolarHBondContact O-CG2 3.29Å; A398-V402 PolarHBondContact O-N 3.14Å |
| 399 | A | 65.3 | Low | 62.4 | Low | 61 Ų | 61 | 86.3 Ų | 86.3 | 50% | 0.504 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.3 | -42.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S395 A403 | S395-A399 WeakPolarHBondContact O-CB 3.45Å; S395-A399 PolarHBondContact O-N 3.34Å; A399-A403 VanDerWaalsContact O-CB 3.26Å; A399-A403 WeakPolarHBondContact O-CB 3.35Å; A399-A403 PolarHBondContact O-N 3.24Å |
| 400 | V | 70.2 | Confident | 63.9 | Low | 102 Ų | 102 | 82.7 Ų | 82.7 | 62% | 0.618 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.1 | -40.5 | 175.6 | 170.5 | 0 | 0 | 0 | 0 | 111.7 | N396 N397 A398 A403 A404 | N396-V400 WeakPolarHBondContact O-CG2 3.47Å; N396-V400 PolarHBondContact O-N 2.83Å; N397-V400 PolarHBondContact O-N 3Å; A398-V400 PolarHBondContact O-N 3.05Å; V400-A403 PolarHBondContact O-N 3.22Å; V400-A404 WeakPolarHBondContact O-CB 3.47Å; V400-A404 PolarHBondContact O-N 3.13Å |
| 401 | A | 70.7 | Confident | 65.3 | Low | 51 Ų | 51 | 78 Ų | 78 | 42% | 0.421 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.4 | -46.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N397 A398 A403 A404 I405 | N397-A401 PolarHBondContact O-N 3.02Å; A398-A401 PolarHBondContact O-N 3.21Å; A401-A403 PolarHBondContact O-N 3.44Å; A401-A404 PolarHBondContact O-N 3.35Å; A401-I405 WeakPolarHBondContact O-CG1 3.29Å; A401-I405 PolarHBondContact O-N 3.4Å |
| 402 | V | 71.3 | Confident | 66.6 | Low | 99 Ų | 99 | 76.9 Ų | 76.9 | 60% | 0.6 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.1 | -41.9 | 176.2 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | A398 A404 I405 A406 | A398-V402 WeakPolarHBondContact O-CG2 3.29Å; A398-V402 PolarHBondContact O-N 3.14Å; V402-A404 VanDerWaalsContact C-N 3.35Å; V402-A404 PolarHBondContact O-N 3.34Å; V402-I405 PolarHBondContact O-N 3.32Å; V402-A406 WeakPolarHBondContact O-CB 3.26Å; V402-A406 PolarHBondContact O-N 3.12Å |
| 403 | A | 72.8 | Confident | 67.9 | Low | 60 Ų | 60 | 76.2 Ų | 76.2 | 50% | 0.496 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.8 | -37.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A399 V400 A401 A407 | A399-A403 VanDerWaalsContact O-CB 3.26Å; A399-A403 WeakPolarHBondContact O-CB 3.35Å; A399-A403 PolarHBondContact O-N 3.24Å; V400-A403 PolarHBondContact O-N 3.22Å; A401-A403 PolarHBondContact O-N 3.44Å; A403-A407 VanDerWaalsContact O-CB 3.27Å; A403-A407 WeakPolarHBondContact O-CB 3.22Å; A403-A407 PolarHBondContact O-N 3.27Å |
| 404 | A | 75.5 | Confident | 69.1 | Low | 58 Ų | 58 | 79.5 Ų | 79.5 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.9 | -43.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V400 A401 V402 A407 A408 | V400-A404 WeakPolarHBondContact O-CB 3.47Å; V400-A404 PolarHBondContact O-N 3.13Å; A401-A404 PolarHBondContact O-N 3.35Å; V402-A404 VanDerWaalsContact C-N 3.35Å; V402-A404 PolarHBondContact O-N 3.34Å; A404-A407 PolarHBondContact O-N 3.11Å; A404-A408 WeakPolarHBondContact O-CB 3.38Å; A404-A408 PolarHBondContact O-N 3.11Å |
| 405 | I | 77.5 | Confident | 70.1 | Confident | 120 Ų | 120 | 81.8 Ų | 81.8 | 62% | 0.615 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.3 | -44.5 | 175.5 | -67.3 | 164.9 | 0 | 0 | 0 | 110.6 | A401 V402 A408 A409 | A401-I405 WeakPolarHBondContact O-CG1 3.29Å; A401-I405 PolarHBondContact O-N 3.4Å; V402-I405 PolarHBondContact O-N 3.32Å; I405-A408 PolarHBondContact O-N 3.3Å; I405-A409 WeakPolarHBondContact O-CB 3.42Å; I405-A409 PolarHBondContact O-N 3.47Å |
| 406 | A | 76.3 | Confident | 70.4 | Confident | 57 Ų | 57 | 80.9 Ų | 80.9 | 47% | 0.471 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V402 A409 A410 | V402-A406 WeakPolarHBondContact O-CB 3.26Å; V402-A406 PolarHBondContact O-N 3.12Å; A406-A409 PolarHBondContact O-N 3.31Å; A406-A410 VanDerWaalsContact O-CB 3.27Å; A406-A410 WeakPolarHBondContact O-CB 3.37Å; A406-A410 PolarHBondContact O-N 3.36Å |
| 407 | A | 77.2 | Confident | 70.4 | Confident | 61 Ų | 61 | 79.3 Ų | 79.3 | 50% | 0.504 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.9 | -39 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A403 A404 A411 | A403-A407 VanDerWaalsContact O-CB 3.27Å; A403-A407 WeakPolarHBondContact O-CB 3.22Å; A403-A407 PolarHBondContact O-N 3.27Å; A404-A407 PolarHBondContact O-N 3.11Å; A407-A411 WeakPolarHBondContact O-CB 3.47Å; A407-A411 PolarHBondContact O-N 3.18Å |
| 408 | A | 76.2 | Confident | 70 | Confident | 55 Ų | 55 | 78.9 Ų | 78.9 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.1 | -47.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A404 I405 A410 A411 T412 | A404-A408 WeakPolarHBondContact O-CB 3.38Å; A404-A408 PolarHBondContact O-N 3.11Å; I405-A408 PolarHBondContact O-N 3.3Å; A408-A410 VanDerWaalsContact C-N 3.34Å; A408-A410 PolarHBondContact O-N 2.78Å; A408-A411 WeakPolarHBondContact O-CB 3.41Å; A408-A411 PolarHBondContact O-N 2.95Å; A408-A411 VanDerWaalsContact O-N 3.17Å; A408-T412 PolarHBondContact O-N 3.28Å; A408-T412 PolarHBondContact O-OG1 3.47Å |
| 409 | A | 74.9 | Confident | 69.8 | Low | 49 Ų | 49 | 80.9 Ų | 80.9 | 41% | 0.405 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62 | -40.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I405 A406 T412 N413 | I405-A409 WeakPolarHBondContact O-CB 3.42Å; I405-A409 PolarHBondContact O-N 3.47Å; A406-A409 PolarHBondContact O-N 3.31Å; A409-T412 PolarHBondContact O-N 2.99Å; A409-N413 WeakPolarHBondContact O-CB 3.37Å; A409-N413 PolarHBondContact O-N 3.36Å; A409-N413 PolarHBondContact O-ND2 2.94Å |
| 410 | A | 75.3 | Confident | 69 | Low | 58 Ų | 58 | 81.2 Ų | 81.2 | 48% | 0.479 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.4 | -39.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A406 A408 Y414 | A406-A410 VanDerWaalsContact O-CB 3.27Å; A406-A410 WeakPolarHBondContact O-CB 3.37Å; A406-A410 PolarHBondContact O-N 3.36Å; A408-A410 VanDerWaalsContact C-N 3.34Å; A408-A410 PolarHBondContact O-N 2.78Å; A410-Y414 VanDerWaalsContact O-CB 3.24Å; A410-Y414 WeakPolarHBondContact O-CB 3.46Å; A410-Y414 PolarHBondContact O-N 3.17Å |
| 411 | A | 71.2 | Confident | 67.9 | Low | 44 Ų | 44 | 82.9 Ų | 82.9 | 36% | 0.364 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.1 | -44.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A407 A408 Y414 M415 | A407-A411 WeakPolarHBondContact O-CB 3.47Å; A407-A411 PolarHBondContact O-N 3.18Å; A408-A411 WeakPolarHBondContact O-CB 3.41Å; A408-A411 PolarHBondContact O-N 2.95Å; A408-A411 VanDerWaalsContact O-N 3.17Å; A411-Y414 PolarHBondContact O-N 3.32Å; A411-M415 WeakPolarHBondContact O-CG 3.21Å; A411-M415 PolarHBondContact O-N 3.08Å |
| 412 | T | 71.7 | Confident | 66.6 | Low | 83 Ų | 83 | 84.9 Ų | 84.9 | 51% | 0.509 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.5 | -48.2 | 175 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | A408 A409 Y414 M415 V416 | A408-T412 PolarHBondContact O-N 3.28Å; A408-T412 PolarHBondContact O-OG1 3.47Å; A409-T412 PolarHBondContact O-N 2.99Å; T412-Y414 VanDerWaalsContact C-N 3.33Å; T412-Y414 PolarHBondContact O-N 2.82Å; T412-M415 PolarHBondContact O-N 2.92Å; T412-V416 HydrophobicContact CG2-CG2 4.48Å; T412-V416 WeakPolarHBondContact O-CG2 3.26Å; T412-V416 PolarHBondContact O-N 3.37Å |
| 413 | N | 69 | Low | 65.1 | Low | 112 Ų | 112 | 87.4 Ų | 87.4 | 60% | 0.599 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.4 | -38.5 | 177 | -74 | -17.2 | 0 | 0 | 0 | 112.2 | A409 A417 | A409-N413 WeakPolarHBondContact O-CB 3.37Å; A409-N413 PolarHBondContact O-N 3.36Å; A409-N413 PolarHBondContact O-ND2 2.94Å; N413-A417 WeakPolarHBondContact O-CB 3.26Å; N413-A417 PolarHBondContact O-N 3.21Å |
| 414 | Y | 69.2 | Low | 63.5 | Low | 165 Ų | 165 | 93.8 Ų | 93.8 | 65% | 0.647 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -69.1 | -32.5 | 175.5 | -173.8 | -93.6 | 0 | 0 | 0 | 112.7 | A410 A411 T412 N418 | A410-Y414 VanDerWaalsContact O-CB 3.24Å; A410-Y414 WeakPolarHBondContact O-CB 3.46Å; A410-Y414 PolarHBondContact O-N 3.17Å; A411-Y414 PolarHBondContact O-N 3.32Å; T412-Y414 VanDerWaalsContact C-N 3.33Å; T412-Y414 PolarHBondContact O-N 2.82Å; Y414-N418 VanDerWaalsContact CE1-ND2 3.29Å; Y414-N418 WeakPolarHBondContact CE1-ND2 3.39Å; Y414-N418 VanDerWaalsContact CZ-ND2 3.27Å; Y414-N418 WeakPolarHBondContact O-CB 3.49Å; Y414-N418 PolarHBondContact O-N 3.35Å; Y414-N418 PolarHBondContact O-ND2 3.47Å |
| 415 | M | 63.3 | Low | 61.5 | Low | 125 Ų | 125 | 94.2 Ų | 94.2 | 62% | 0.616 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -69.3 | -51 | 172.2 | -72.5 | 178.8 | -175.7 | 0 | 0 | 110.8 | A411 T412 A417 N418 T419 | A411-M415 WeakPolarHBondContact O-CG 3.21Å; A411-M415 PolarHBondContact O-N 3.08Å; T412-M415 PolarHBondContact O-N 2.92Å; M415-A417 VanDerWaalsContact C-N 3.31Å; M415-A417 PolarHBondContact O-N 2.92Å; M415-N418 PolarHBondContact O-N 3.46Å; M415-T419 WeakPolarHBondContact O-CG2 3.35Å; M415-T419 PolarHBondContact O-N 3.42Å; M415-T419 PolarHBondContact O-OG1 3.35Å |
| 416 | V | 61.4 | Low | 59.4 | Low | 70 Ų | 70 | 95.3 Ų | 95.3 | 42% | 0.424 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -57 | -42.8 | 177.8 | 171.8 | 0 | 0 | 0 | 0 | 111.7 | T412 N418 G420 | T412-V416 HydrophobicContact CG2-CG2 4.48Å; T412-V416 WeakPolarHBondContact O-CG2 3.26Å; T412-V416 PolarHBondContact O-N 3.37Å; V416-N418 VanDerWaalsContact C-N 3.26Å; V416-N418 PolarHBondContact O-N 2.9Å; V416-G420 PolarHBondContact O-N 3.45Å |
| 417 | A | 61.9 | Low | 57.3 | Low | 80 Ų | 80 | 97.2 Ų | 97.2 | 66% | 0.661 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.8 | -23.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | N413 M415 | N413-A417 WeakPolarHBondContact O-CB 3.26Å; N413-A417 PolarHBondContact O-N 3.21Å; M415-A417 VanDerWaalsContact C-N 3.31Å; M415-A417 PolarHBondContact O-N 2.92Å |
| 418 | N | 56 | Low | 55.4 | Low | 106 Ų | 106 | 99.7 Ų | 99.7 | 57% | 0.567 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -105.4 | -17.9 | -178.3 | -75.6 | -62.2 | 0 | 0 | 0 | 114.4 | Y414 M415 V416 | Y414-N418 VanDerWaalsContact CE1-ND2 3.29Å; Y414-N418 WeakPolarHBondContact CE1-ND2 3.39Å; Y414-N418 VanDerWaalsContact CZ-ND2 3.27Å; Y414-N418 WeakPolarHBondContact O-CB 3.49Å; Y414-N418 PolarHBondContact O-N 3.35Å; Y414-N418 PolarHBondContact O-ND2 3.47Å; M415-N418 PolarHBondContact O-N 3.46Å; V416-N418 VanDerWaalsContact C-N 3.26Å; V416-N418 PolarHBondContact O-N 2.9Å |
| 419 | T | 59 | Low | 53.4 | Low | 82 Ų | 82 | 104.8 Ų | 104.8 | 50% | 0.503 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -92 | -18.7 | 175.6 | 60.2 | 0 | 0 | 0 | 0 | 113.5 | M415 M421 | M415-T419 WeakPolarHBondContact O-CG2 3.35Å; M415-T419 PolarHBondContact O-N 3.42Å; M415-T419 PolarHBondContact O-OG1 3.35Å; T419-M421 HydrophobicContact CG2-SD 4.32Å; T419-M421 PolarHBondContact O-N 3.38Å; T419-M421 VanDerWaalsContact O-N 3.15Å |
| 420 | G | 48 | Very low | 51.7 | Low | 69 Ų | 69 | 110.8 Ų | 110.8 | 71% | 0.711 | 66% | 0.655 | S | S | * | * | | | trans | 65.5 | 12.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | V416 S422 | V416-G420 PolarHBondContact O-N 3.45Å; G420-S422 PolarHBondContact O-N 3.19Å |
| 421 | M | 48.1 | Very low | 49.6 | Very low | 137 Ų | 137 | 115.2 Ų | 115.2 | 68% | 0.675 | 67% | 0.67 | S | S | * | * | | | trans | -78.4 | 107.7 | -177.6 | -67.4 | 168.3 | 66.4 | 0 | 0 | 109.8 | T419 | T419-M421 HydrophobicContact CG2-SD 4.32Å; T419-M421 PolarHBondContact O-N 3.38Å; T419-M421 VanDerWaalsContact O-N 3.15Å |
| 422 | S | 43.8 | Very low | 47.8 | Very low | 93 Ų | 93 | 121 Ų | 121 | 65% | 0.65 | 70% | 0.695 | S | S | * | * | | | trans | -63.9 | 148.1 | 170.7 | 47.9 | 0 | 0 | 0 | 0 | 111.4 | G420 F424 | G420-S422 PolarHBondContact O-N 3.19Å; S422-F424 PolarHBondContact O-N 2.79Å |
| 423 | N | 38.6 | Very low | 46.1 | Very low | 151 Ų | 151 | 122.5 Ų | 122.5 | 81% | 0.807 | 71% | 0.708 | S | S | * | * | | | trans | -60.1 | 106.4 | 179 | -79.6 | -6.9 | 0 | 0 | 0 | 111.5 | | |
| 424 | F | 39.1 | Very low | 44.5 | Very low | 195 Ų | 195 | 120.3 Ų | 120.3 | 86% | 0.855 | 71% | 0.712 | S | S | * | * | | | trans | -79 | 128 | 150.6 | -79.6 | -89.7 | 0 | 0 | 0 | 108.2 | S422 | S422-F424 PolarHBondContact O-N 2.79Š|
| 425 | G | 33.8 | Very low | 43 | Very low | 66 Ų | 66 | 121.3 Ų | 121.3 | 68% | 0.68 | 72% | 0.722 | S | S | * | * | | | trans | -83.5 | 159.6 | -153.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 426 | V | 33 | Very low | 41.6 | Very low | 143 Ų | 143 | 119.7 Ų | 119.7 | 87% | 0.867 | 72% | 0.723 | S | S | * | * | | | trans | -116.1 | 54.5 | 165.7 | -72.8 | 0 | 0 | 0 | 0 | 110.6 | S428 | V426-S428 PolarHBondContact O-N 2.71Š|
| 427 | S | 32.8 | Very low | 40.5 | Very low | 98 Ų | 98 | 127 Ų | 127 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | | | trans | -94.6 | 78.9 | 175.6 | -63.1 | 0 | 0 | 0 | 0 | 110.9 | H429 | S427-H429 VanDerWaalsContact C-N 3.28Å; S427-H429 PolarHBondContact O-N 3.18Å |
| 428 | S | 37.6 | Very low | 39.3 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | | | trans | -73.3 | 71.8 | -178.3 | -56.3 | 0 | 0 | 0 | 0 | 112.9 | V426 L430 | V426-S428 PolarHBondContact O-N 2.71Å; S428-L430 PolarHBondContact O-N 2.63Å; S428-L430 VanDerWaalsContact O-N 3.1Å |
| 429 | H | 33.6 | Very low | 38.7 | Very low | 162 Ų | 162 | 131.7 Ų | 131.7 | 75% | 0.75 | 76% | 0.761 | S | S | * | * | | | trans | -68.9 | 102.6 | 172.2 | -81.8 | -92.7 | 0 | 0 | 0 | 111.2 | S427 N431 | S427-H429 VanDerWaalsContact C-N 3.28Å; S427-H429 PolarHBondContact O-N 3.18Å; H429-N431 PolarHBondContact O-N 2.94Å |
| 430 | L | 40.1 | Very low | 37.7 | Very low | 175 Ų | 175 | 130.6 Ų | 130.6 | 92% | 0.916 | 77% | 0.766 | S | S | * | * | | | trans | -79.1 | 110.1 | 165.6 | -74.5 | 170 | 0 | 0 | 0 | 109.5 | S428 | S428-L430 PolarHBondContact O-N 2.63Å; S428-L430 VanDerWaalsContact O-N 3.1Å |
| 431 | N | 29.6 | Very low | 37.7 | Very low | 150 Ų | 150 | 134.8 Ų | 134.8 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | | | trans | -74.2 | 139.2 | 174.7 | -76.5 | -50.7 | 0 | 0 | 0 | 111.6 | H429 | H429-N431 PolarHBondContact O-N 2.94Š|
| 432 | L | 35.1 | Very low | 37.3 | Very low | 166 Ų | 166 | 135.5 Ų | 135.5 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | | | trans | -146.3 | 104.5 | 154.2 | -149 | 74 | 0 | 0 | 0 | 112.1 | | |
| 433 | S | 35.9 | Very low | 37.1 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | | | trans | 38.6 | 129.4 | 152.2 | 62.4 | 0 | 0 | 0 | 0 | 121.6 | | |
| 434 | G | 34.7 | Very low | 37.3 | Very low | 66 Ų | 66 | 132 Ų | 132 | 68% | 0.68 | 78% | 0.775 | S | S | * | * | | | trans | 154.8 | 71 | 140.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 435 | H | 37.3 | Very low | 37.3 | Very low | 186 Ų | 186 | 129.2 Ų | 129.2 | 86% | 0.861 | 77% | 0.77 | S | S | * | * | | | trans | 59.9 | 160.6 | 155.3 | -65.8 | -63.7 | 0 | 0 | 0 | 119.3 | | |
| 436 | S | 35.1 | Very low | 37.5 | Very low | 91 Ų | 91 | 134.1 Ų | 134.1 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | | | cis | -169.3 | 155.6 | -35.5 | -97.2 | 0 | 0 | 0 | 0 | 107.7 | | |
| 437 | R | 38.2 | Very low | 37.8 | Very low | 225 Ų | 225 | 135.6 Ų | 135.6 | 85% | 0.849 | 78% | 0.778 | S | S | * | * | | | trans | 79.3 | 119.5 | 173.9 | -63 | -178.2 | 175.4 | 131 | 1.8 | 114.5 | | |
| 438 | E | 37.1 | Very low | 38.1 | Very low | 168 Ų | 168 | 136.1 Ų | 136.1 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | | 89.4 | 126.2 | 55.4 | -177.4 | -175.9 | -160.9 | 0 | 0 | 110 | | |
| 439 | S | 41.6 | Very low | 38.2 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | | | cis | -160 | 174 | 4.1 | 45.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 440 | G | 38.2 | Very low | 38.3 | Very low | 59 Ų | 59 | 134.1 Ų | 134.1 | 61% | 0.608 | 78% | 0.783 | S | S | * | * | | | trans | 140.3 | 95.9 | 150.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 441 | I | 48.2 | Very low | 38.3 | Very low | 157 Ų | 157 | 130.5 Ų | 130.5 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | | | | 47.2 | 128 | 121.9 | -53.2 | 147.5 | 0 | 0 | 0 | 117.7 | | |
| 442 | D | 40.3 | Very low | 39 | Very low | 151 Ų | 151 | 129.6 Ų | 129.6 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | | | cis | -153 | 159.4 | -9.6 | -106.1 | -18.9 | 0 | 0 | 0 | 106.1 | | |
| 443 | G | 39.1 | Very low | 39.2 | Very low | 72 Ų | 72 | 127.1 Ų | 127.1 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | | | | 83.4 | 127.9 | 73.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 444 | S | 42 | Very low | 39 | Very low | 98 Ų | 98 | 127.6 Ų | 127.6 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | | | cis | -159.4 | -173 | 0 | 47.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 445 | D | 40.8 | Very low | 39.1 | Very low | 137 Ų | 137 | 133.2 Ų | 133.2 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | | | trans | 63.7 | 100.1 | 159.3 | -44 | -45.5 | 0 | 0 | 0 | 117 | | |
| 446 | M | 36.4 | Very low | 39 | Very low | 169 Ų | 169 | 134.4 Ų | 134.4 | 83% | 0.833 | 77% | 0.774 | S | S | * | * | | | cis | 58.7 | 97.2 | 24.4 | -70.9 | -71.5 | -176.2 | 0 | 0 | 115.3 | | |
| 447 | I | 41.2 | Very low | 39 | Very low | 175 Ų | 175 | 137.2 Ų | 137.2 | 90% | 0.897 | 78% | 0.781 | S | S | * | * | | | trans | -158.8 | 146.4 | 136.5 | -101.5 | 150.4 | 0 | 0 | 0 | 109.5 | | |
| 448 | S | 37.4 | Very low | 38.7 | Very low | 108 Ų | 108 | 132.9 Ų | 132.9 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | | | trans | -97.8 | 167.6 | -164.3 | -85.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 449 | P | 39.7 | Very low | 38.8 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | -95.2 | 165.8 | -160.7 | 37.4 | -37.7 | 0 | 0 | 0 | 115.7 | | |
| 450 | S | 36.7 | Very low | 38.7 | Very low | 108 Ų | 108 | 135.2 Ų | 135.2 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | | | trans | -146.9 | 133.3 | 168.5 | 53.7 | 0 | 0 | 0 | 0 | 114.8 | | |
| 451 | S | 39.5 | Very low | 38.4 | Very low | 99 Ų | 99 | 138.7 Ų | 138.7 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | | | trans | 27 | 108.4 | 149.5 | 57 | 0 | 0 | 0 | 0 | 122 | | |
| 452 | T | 44.5 | Very low | 38 | Very low | 131 Ų | 131 | 136.9 Ų | 136.9 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | | 25.1 | 154.1 | 114.1 | 59.6 | 0 | 0 | 0 | 0 | 121.6 | | |
| 453 | P | 40 | Very low | 38 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | | | cis | -137.8 | 172.2 | -33.5 | 39.8 | -23.2 | 0 | 0 | 0 | 114 | | |
| 454 | C | 31.4 | Very low | 38.2 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | | | trans | 25.8 | 110.4 | 157.9 | -62.9 | 0 | 0 | 0 | 0 | 120.3 | | |
| 455 | E | 37 | Very low | 38.1 | Very low | 184 Ų | 184 | 138.9 Ų | 138.9 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | | | | -150.1 | -176.2 | 117.7 | -125.3 | -158.8 | 156.5 | 0 | 0 | 114.8 | | |
| 456 | R | 34.7 | Very low | 38.3 | Very low | 210 Ų | 210 | 139 Ų | 139 | 79% | 0.792 | 75% | 0.749 | S | S | * | * | | | trans | -92.2 | 172.7 | -157.4 | -73 | 168.4 | 154.6 | 163 | -7 | 114.9 | | |
| 457 | L | 34.8 | Very low | 38.5 | Very low | 151 Ų | 151 | 137.6 Ų | 137.6 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | | | trans | 86.2 | 102.9 | 144.5 | -82 | 158.3 | 0 | 0 | 0 | 120 | | |
| 458 | N | 32.7 | Very low | 38.5 | Very low | 133 Ų | 133 | 136.3 Ų | 136.3 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | | | | 102.6 | 151.7 | 112.5 | -154.7 | 8.7 | 0 | 0 | 0 | 118.7 | | |
| 459 | K | 37.9 | Very low | 38.6 | Very low | 160 Ų | 160 | 137.8 Ų | 137.8 | 70% | 0.696 | 73% | 0.727 | S | S | * | * | | | trans | 78.7 | 126.7 | 164.7 | -70.4 | 174.2 | -178.4 | 174.4 | 0 | 120.4 | | |
| 460 | Q | 39.3 | Very low | 38.7 | Very low | 173 Ų | 173 | 138.4 Ų | 138.4 | 81% | 0.808 | 72% | 0.723 | S | S | * | * | | | trans | 71.1 | 116 | 145.1 | -65.6 | 161.1 | -61.9 | 0 | 0 | 116.7 | | |
| 461 | N | 33.3 | Very low | 38.9 | Very low | 132 Ų | 132 | 137.7 Ų | 137.7 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | | | cis | 99.7 | 142.9 | 33.9 | -175.1 | 54.7 | 0 | 0 | 0 | 112.5 | | |
| 462 | N | 39.2 | Very low | 39.1 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 64% | 0.642 | 73% | 0.726 | S | S | * | * | | | trans | 69.6 | 145.5 | -176.1 | -61.4 | -12.3 | 0 | 0 | 0 | 114.1 | | |
| 463 | N | 41.6 | Very low | 38.9 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 65% | 0.652 | 72% | 0.721 | S | S | * | * | | | cis | -164.3 | 164.7 | -4 | -117.6 | -1 | 0 | 0 | 0 | 112.5 | | |
| 464 | N | 42.1 | Very low | 38.8 | Very low | 127 Ų | 127 | 141.3 Ų | 141.3 | 68% | 0.679 | 72% | 0.722 | S | S | * | * | | | trans | 70.9 | 144.7 | 154.3 | -59.3 | -5.1 | 0 | 0 | 0 | 118.2 | | |
| 465 | N | 40.7 | Very low | 39.2 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 61% | 0.61 | 72% | 0.718 | S | S | * | * | | | cis | -165.9 | 170.6 | -8.8 | -120.9 | 6.3 | 0 | 0 | 0 | 113.7 | | |
| 466 | H | 44 | Very low | 39.4 | Very low | 139 Ų | 139 | 137.2 Ų | 137.2 | 64% | 0.644 | 72% | 0.715 | S | S | * | * | | | trans | 71.3 | 115.6 | 162.6 | -59.7 | -52.2 | 0 | 0 | 0 | 116.7 | | |
| 467 | Q | 41.9 | Very low | 39.8 | Very low | 140 Ų | 140 | 135.3 Ų | 135.3 | 65% | 0.654 | 72% | 0.715 | S | S | * | * | | | | 95.9 | 138.1 | 60 | -91.8 | 178.2 | -20.9 | 0 | 0 | 110.9 | | |
| 468 | M | 41 | Very low | 40.1 | Very low | 147 Ų | 147 | 134.3 Ų | 134.3 | 72% | 0.724 | 71% | 0.71 | S | S | * | * | | | cis | -146.7 | 172.2 | 3.8 | -53 | -177.7 | 172.7 | 0 | 0 | 108.4 | | |
| 469 | E | 39.7 | Very low | 40.5 | Very low | 139 Ų | 139 | 135.7 Ų | 135.7 | 65% | 0.65 | 72% | 0.717 | S | S | * | * | | | cis | -170.8 | 176.5 | -26 | -101.5 | 170.5 | -139.6 | 0 | 0 | 108.9 | | |
| 470 | N | 40.8 | Very low | 40.6 | Very low | 139 Ų | 139 | 133.3 Ų | 133.3 | 74% | 0.743 | 72% | 0.721 | S | S | * | * | | | trans | 73.5 | 144.7 | 162.4 | -68.2 | -59.5 | 0 | 0 | 0 | 120.8 | | |
| 471 | S | 41.2 | Very low | 40.7 | Very low | 93 Ų | 93 | 130.8 Ų | 130.8 | 65% | 0.65 | 72% | 0.722 | S | S | * | * | | | cis | -176.1 | 159.9 | -28 | -103.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 472 | V | 43.5 | Very low | 41.1 | Very low | 141 Ų | 141 | 128.1 Ų | 128.1 | 86% | 0.855 | 73% | 0.725 | S | S | * | * | | | trans | 71.9 | 142 | 167.4 | -170.6 | 0 | 0 | 0 | 0 | 117.7 | | |
| 473 | N | 40.1 | Very low | 41.5 | Very low | 131 Ų | 131 | 127.5 Ų | 127.5 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | | | cis | -165.1 | 149 | -41.1 | -146.5 | 3.8 | 0 | 0 | 0 | 112.1 | | |
| 474 | I | 38.4 | Very low | 41.6 | Very low | 147 Ų | 147 | 128.4 Ų | 128.4 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | | | trans | 35 | 132.3 | 152.5 | -70.1 | 161 | 0 | 0 | 0 | 122.1 | | |
| 475 | G | 39.8 | Very low | 42 | Very low | 73 Ų | 73 | 129.9 Ų | 129.9 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | | | trans | 175.2 | 87.6 | 158.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 476 | N | 41.6 | Very low | 42.1 | Very low | 150 Ų | 150 | 129.4 Ų | 129.4 | 80% | 0.802 | 75% | 0.749 | S | S | * | * | | | trans | 10.5 | 138.3 | 158.5 | -52.8 | -14.3 | 0 | 0 | 0 | 119.9 | | |
| 477 | H | 42.3 | Very low | 42.5 | Very low | 170 Ų | 170 | 129.8 Ų | 129.8 | 79% | 0.787 | 76% | 0.761 | S | S | * | * | | | | -161.4 | 161.1 | 50.7 | -169.1 | -87.5 | 0 | 0 | 0 | 112.7 | | |
| 478 | L | 41 | Very low | 42.8 | Very low | 131 Ų | 131 | 133.9 Ų | 133.9 | 69% | 0.686 | 77% | 0.77 | S | S | * | * | | | trans | -98.8 | 149.1 | -177.4 | -51.3 | 90.2 | 0 | 0 | 0 | 113.1 | | |
| 479 | N | 41.8 | Very low | 43.1 | Very low | 161 Ų | 161 | 131.7 Ų | 131.7 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | | | | -177.8 | 160.1 | 100.1 | -97.3 | -30.8 | 0 | 0 | 0 | 112.4 | | |
| 480 | S | 40.2 | Very low | 43.4 | Very low | 111 Ų | 111 | 131.3 Ų | 131.3 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | trans | -131.8 | 165.7 | -165.4 | -173.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 481 | S | 41.1 | Very low | 44.1 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | | | trans | 99.8 | 109.9 | 164.7 | -42.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 482 | G | 40.8 | Very low | 44.9 | Very low | 75 Ų | 75 | 132.6 Ų | 132.6 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | 173.9 | 66.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 483 | S | 47.6 | Very low | 45.9 | Very low | 107 Ų | 107 | 132 Ų | 132 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | | | trans | 49.3 | 105.9 | 154.5 | -59 | 0 | 0 | 0 | 0 | 121.2 | | |
| 484 | N | 44.7 | Very low | 47.3 | Very low | 142 Ų | 142 | 131.3 Ų | 131.3 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | | | | 42.5 | 103.2 | 123.8 | -48.7 | -19.6 | 0 | 0 | 0 | 119.3 | | |
| 485 | N | 50.7 | Low | 49 | Very low | 158 Ų | 158 | 131 Ų | 131 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | | | | 179.9 | 148.5 | 104.2 | -91.1 | -33.3 | 0 | 0 | 0 | 114.9 | V487 | N485-V487 PolarHBondContact O-N 2.91Š|
| 486 | S | 42.9 | Very low | 51 | Low | 104 Ų | 104 | 132.4 Ų | 132.4 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | trans | -39.3 | 109.5 | 178 | 165.8 | 0 | 0 | 0 | 0 | 116.8 | | |
| 487 | V | 51.2 | Low | 53 | Low | 147 Ų | 147 | 131.9 Ų | 131.9 | 89% | 0.891 | 76% | 0.759 | S | S | * | * | | | trans | -108.4 | 85.1 | 158.7 | -173.3 | 0 | 0 | 0 | 0 | 108.9 | N485 S489 | N485-V487 PolarHBondContact O-N 2.91Å; V487-S489 PolarHBondContact O-N 3.2Å |
| 488 | R | 49 | Very low | 54.9 | Low | 225 Ų | 225 | 128.8 Ų | 128.8 | 85% | 0.849 | 76% | 0.755 | S | S | * | * | | | trans | -86.4 | 101.8 | -172.3 | -177.5 | -177.9 | 177.2 | -148.8 | 0.5 | 111.3 | | |
| 489 | S | 47 | Very low | 57.1 | Low | 101 Ų | 101 | 132.1 Ų | 132.1 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | | | trans | 39.9 | 103.3 | 160.1 | -53 | 0 | 0 | 0 | 0 | 117.3 | V487 L491 | V487-S489 PolarHBondContact O-N 3.2Å; S489-L491 PolarHBondContact O-N 3.16Å |
| 490 | S | 45.9 | Very low | 59 | Low | 131 Ų | 131 | 128.9 Ų | 128.9 | 92% | 0.916 | 74% | 0.739 | S | S | * | * | | | trans | -62.8 | 90.6 | 169.6 | 53.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 491 | L | 56 | Low | 60.7 | Low | 161 Ų | 161 | 127.9 Ų | 127.9 | 84% | 0.843 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 136.6 | 162.9 | -73.2 | 164.1 | 0 | 0 | 0 | 108.9 | S489 | S489-L491 PolarHBondContact O-N 3.16Š|
| 492 | S | 56.8 | Low | 61.9 | Low | 99 Ų | 99 | 128.1 Ų | 128.1 | 69% | 0.692 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 145.8 | -175.6 | 43.3 | 0 | 0 | 0 | 0 | 112.2 | T494 | S492-T494 PolarHBondContact O-N 3.24Å; S492-T494 VanDerWaalsContact O-N 3.11Å |
| 493 | P | 64.2 | Low | 62.9 | Low | 128 Ų | 128 | 128.1 Ų | 128.1 | 83% | 0.831 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 118.1 | 169.1 | -20.9 | 32.6 | 0 | 0 | 0 | 109.4 | H495 | P493-H495 PolarHBondContact O-N 3.46Š|
| 494 | T | 69.8 | Low | 63.3 | Low | 116 Ų | 116 | 124.6 Ų | 124.6 | 71% | 0.712 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 128.9 | 173.3 | 35.3 | 0 | 0 | 0 | 0 | 109.1 | S492 I496 | S492-T494 PolarHBondContact O-N 3.24Å; S492-T494 VanDerWaalsContact O-N 3.11Å; T494-I496 PolarHBondContact O-N 2.94Å |
| 495 | H | 75.1 | Confident | 64 | Low | 140 Ų | 140 | 123.7 Ų | 123.7 | 65% | 0.648 | 69% | 0.692 | S | S | * | * | | | trans | -73.3 | 75.7 | -176.4 | -174.5 | -82.6 | 0 | 0 | 0 | 111.1 | P493 W497 | P493-H495 PolarHBondContact O-N 3.46Å; H495-W497 AromaticContact CE1-CD2 3.7Å; H495-W497 AromaticContact CE1-CE2 3.73Å; H495-W497 AromaticContact CE1-CE3 3.67Å; H495-W497 AromaticContact CE1-CH2 3.72Å; H495-W497 AromaticContact CE1-CZ2 3.75Å; H495-W497 AromaticContact CE1-CZ3 3.69Å; H495-W497 AromaticContact ND1-CD2 3.87Å; H495-W497 AromaticContact ND1-CE2 3.64Å; H495-W497 AromaticContact ND1-CZ2 3.88Å; H495-W497 AromaticContact ND1-NE1 3.92Å; H495-W497 PolarHBondContact O-N 3.15Å |
| 496 | I | 80.3 | Confident | 64.3 | Low | 104 Ų | 104 | 123.5 Ų | 123.5 | 53% | 0.533 | 69% | 0.691 | S | S | . | * | | | trans | -73.5 | 105.4 | 174.7 | -61 | 172.3 | 0 | 0 | 0 | 107.8 | T494 M500 T501 | T494-I496 PolarHBondContact O-N 2.94Å; I496-M500 HydrophobicContact CG2-CB 4.01Å; I496-M500 WeakPolarHBondContact CG2-O 3.34Å; I496-T501 HydrophobicContact CG2-CG2 4.22Å |
| 497 | W | 84.7 | Confident | 65 | Low | 138 Ų | 138 | 119.8 Ų | 119.8 | 52% | 0.523 | 67% | 0.665 | S | S | . | * | | | trans | -54.9 | 146.7 | 172.8 | -58.7 | 91.7 | 0 | 0 | 0 | 110.8 | H495 W499 M500 T501 | H495-W497 AromaticContact CE1-CD2 3.7Å; H495-W497 AromaticContact CE1-CE2 3.73Å; H495-W497 AromaticContact CE1-CE3 3.67Å; H495-W497 AromaticContact CE1-CH2 3.72Å; H495-W497 AromaticContact CE1-CZ2 3.75Å; H495-W497 AromaticContact CE1-CZ3 3.69Å; H495-W497 AromaticContact ND1-CD2 3.87Å; H495-W497 AromaticContact ND1-CE2 3.64Å; H495-W497 AromaticContact ND1-CZ2 3.88Å; H495-W497 AromaticContact ND1-NE1 3.92Å; H495-W497 PolarHBondContact O-N 3.15Å; W497-W499 HydrophobicContact CB-CG 4.32Å; W497-W499 AromaticContact CG-NE1 3.73Å; W497-W499 PolarHBondContact O-N 2.9Å; W497-W499 VanDerWaalsContact O-N 3.08Å; W497-M500 HydrophobicContact CB-CB 4.37Å; W497-M500 HydrophobicContact CB-CG 4.13Å; W497-M500 HydrophobicContact CG-SD 4.5Å; W497-M500 CarbonylContact O-C 3.53Å; W497-M500 WeakPolarHBondContact O-CA 3.46Å; W497-M500 WeakPolarHBondContact O-CB 3.3Å; W497-M500 PolarHBondContact O-N 3.47Å; W497-T501 PolarHBondContact O-N 3.49Å |
| 498 | P | 82.7 | Confident | 65.2 | Low | 106 Ų | 106 | 119.6 Ų | 119.6 | 69% | 0.688 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -53.1 | -35.4 | -179.3 | -30.7 | 36.8 | 0 | 0 | 0 | 114.4 | M500 T501 | P498-M500 VanDerWaalsContact C-N 3.32Å; P498-M500 PolarHBondContact O-N 3.26Å; P498-T501 WeakPolarHBondContact O-CB 3.48Å; P498-T501 WeakPolarHBondContact O-CG2 3.35Å; P498-T501 PolarHBondContact O-N 3.16Å; P498-T501 PolarHBondContact O-OG1 2.98Å |
| 499 | W | 86.5 | Confident | 65.4 | Low | 200 Ų | 200 | 116.8 Ų | 116.8 | 76% | 0.758 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -72.1 | -22 | 175.3 | 70.9 | -94.6 | 0 | 0 | 0 | 114.1 | W497 T501 | W497-W499 HydrophobicContact CB-CG 4.32Å; W497-W499 AromaticContact CG-NE1 3.73Å; W497-W499 PolarHBondContact O-N 2.9Å; W497-W499 VanDerWaalsContact O-N 3.08Å; W499-T501 VanDerWaalsContact C-N 3.34Å |
| 500 | M | 81.4 | Confident | 65.8 | Low | 93 Ų | 93 | 121.6 Ų | 121.6 | 46% | 0.458 | 66% | 0.663 | S | S | . | * | G | 310 helix | trans | -89.6 | 7.2 | 174.3 | -62.2 | -169.2 | 85.6 | 0 | 0 | 113 | I496 W497 P498 V502 | I496-M500 HydrophobicContact CG2-CB 4.01Å; I496-M500 WeakPolarHBondContact CG2-O 3.34Å; W497-M500 HydrophobicContact CB-CB 4.37Å; W497-M500 HydrophobicContact CB-CG 4.13Å; W497-M500 HydrophobicContact CG-SD 4.5Å; W497-M500 CarbonylContact O-C 3.53Å; W497-M500 WeakPolarHBondContact O-CA 3.46Å; W497-M500 WeakPolarHBondContact O-CB 3.3Å; W497-M500 PolarHBondContact O-N 3.47Å; P498-M500 VanDerWaalsContact C-N 3.32Å; P498-M500 PolarHBondContact O-N 3.26Å; M500-V502 VanDerWaalsContact C-N 3.28Å; M500-V502 PolarHBondContact O-N 3.41Å |
| 501 | T | 75.9 | Confident | 66.5 | Low | 90 Ų | 90 | 125.6 Ų | 125.6 | 55% | 0.552 | 66% | 0.658 | S | S | * | * | | | trans | -65.8 | 89.3 | 176.2 | 53.9 | 0 | 0 | 0 | 0 | 110.6 | I496 W497 P498 W499 V503 | I496-T501 HydrophobicContact CG2-CG2 4.22Å; W497-T501 PolarHBondContact O-N 3.49Å; P498-T501 WeakPolarHBondContact O-CB 3.48Å; P498-T501 WeakPolarHBondContact O-CG2 3.35Å; P498-T501 PolarHBondContact O-N 3.16Å; P498-T501 PolarHBondContact O-OG1 2.98Å; W499-T501 VanDerWaalsContact C-N 3.34Å; T501-V503 VanDerWaalsContact C-N 3.33Å; T501-V503 PolarHBondContact O-N 2.9Å |
| 502 | V | 65.8 | Low | 67.1 | Low | 126 Ų | 126 | 129.6 Ų | 129.6 | 76% | 0.764 | 66% | 0.662 | S | S | * | * | | | trans | -66 | 98.5 | 169.1 | -179.1 | 0 | 0 | 0 | 0 | 106.5 | M500 G504 | M500-V502 VanDerWaalsContact C-N 3.28Å; M500-V502 PolarHBondContact O-N 3.41Å; V502-G504 WeakPolarHBondContact O-CA 3.32Å; V502-G504 PolarHBondContact O-N 2.98Å |
| 503 | V | 62 | Low | 68.2 | Low | 75 Ų | 75 | 128 Ų | 128 | 46% | 0.455 | 66% | 0.662 | S | S | . | * | | | trans | -44.4 | 111.2 | 172.4 | -131.7 | 0 | 0 | 0 | 0 | 107.5 | T501 S507 | T501-V503 VanDerWaalsContact C-N 3.33Å; T501-V503 PolarHBondContact O-N 2.9Å; V503-S507 WeakPolarHBondContact CB-OG 3.48Å; V503-S507 WeakPolarHBondContact CG1-OG 3.39Å; V503-S507 PolarHBondContact O-OG 3.38Å |
| 504 | G | 57.7 | Low | 69.4 | Low | 33 Ų | 33 | 130.2 Ų | 130.2 | 34% | 0.34 | 65% | 0.653 | S | S | . | * | | | trans | -61.7 | 164.4 | -157.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V502 N506 S507 | V502-G504 WeakPolarHBondContact O-CA 3.32Å; V502-G504 PolarHBondContact O-N 2.98Å; G504-N506 PolarHBondContact O-N 3.42Å; G504-S507 PolarHBondContact N-OG 3.1Å; G504-S507 WeakPolarHBondContact O-CB 3.37Å; G504-S507 PolarHBondContact O-N 3.03Å; G504-S507 PolarHBondContact O-OG 3.45Å |
| 505 | P | 59.3 | Low | 70.4 | Confident | 122 Ų | 122 | 131.3 Ų | 131.3 | 79% | 0.792 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | -23.1 | -176.7 | 21.3 | -32.9 | 0 | 0 | 0 | 114.2 | | |
| 506 | N | 55.3 | Low | 71.4 | Confident | 154 Ų | 154 | 129.7 Ų | 129.7 | 82% | 0.824 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | 0.9 | 178.5 | -59.3 | -2 | 0 | 0 | 0 | 113.8 | G504 V508 | G504-N506 PolarHBondContact O-N 3.42Å; N506-V508 PolarHBondContact O-N 2.95Å |
| 507 | S | 57.6 | Low | 72.3 | Confident | 26 Ų | 26 | 126.9 Ų | 126.9 | 18% | 0.182 | 63% | 0.633 | C | S | . | * | | | trans | -77.9 | 116.1 | 175.2 | 65.2 | 0 | 0 | 0 | 0 | 110.4 | V503 G504 Q509 R510 | V503-S507 WeakPolarHBondContact CB-OG 3.48Å; V503-S507 WeakPolarHBondContact CG1-OG 3.39Å; V503-S507 PolarHBondContact O-OG 3.38Å; G504-S507 PolarHBondContact N-OG 3.1Å; G504-S507 WeakPolarHBondContact O-CB 3.37Å; G504-S507 PolarHBondContact O-N 3.03Å; G504-S507 PolarHBondContact O-OG 3.45Å; S507-Q509 PolarHBondContact O-N 3.31Å; S507-R510 VanDerWaalsContact O-CG 3.26Å; S507-R510 WeakPolarHBondContact O-CG 3.34Å; S507-R510 PolarHBondContact O-N 3.41Å |
| 508 | V | 55.3 | Low | 72.9 | Confident | 144 Ų | 144 | 123 Ų | 123 | 87% | 0.873 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -66.6 | -18.4 | -177 | -178.2 | 0 | 0 | 0 | 0 | 112 | N506 R510 | N506-V508 PolarHBondContact O-N 2.95Å; V508-R510 PolarHBondContact O-N 3.26Å |
| 509 | Q | 54.2 | Low | 73.6 | Confident | 165 Ų | 165 | 127.5 Ų | 127.5 | 77% | 0.771 | 63% | 0.63 | S | S | * | * | | | trans | -70.5 | 41.3 | 168.1 | -66.4 | 157.5 | -32.5 | 0 | 0 | 112.8 | S507 R511 | S507-Q509 PolarHBondContact O-N 3.31Å; Q509-R511 PolarHBondContact O-N 3.44Å |
| 510 | R | 55.7 | Low | 74.2 | Confident | 202 Ų | 202 | 124.3 Ų | 124.3 | 76% | 0.762 | 62% | 0.619 | S | S | * | * | | | trans | -58 | 114.8 | 175.3 | -61 | -150 | -63.4 | -166.8 | -0.8 | 109 | S507 V508 R512 | S507-R510 VanDerWaalsContact O-CG 3.26Å; S507-R510 WeakPolarHBondContact O-CG 3.34Å; S507-R510 PolarHBondContact O-N 3.41Å; V508-R510 PolarHBondContact O-N 3.26Å; R510-R512 PolarHBondContact O-N 2.82Å |
| 511 | R | 60.4 | Low | 75 | Confident | 215 Ų | 215 | 121.4 Ų | 121.4 | 81% | 0.811 | 60% | 0.604 | S | S | * | * | | | trans | -28.5 | 94.2 | -175.3 | -68.4 | -173.5 | 177.7 | -135.3 | -0.5 | 112.5 | Q509 G513 | Q509-R511 PolarHBondContact O-N 3.44Å; R511-G513 PolarHBondContact O-N 3.39Å; R511-G513 VanDerWaalsContact O-N 3.11Å |
| 512 | R | 69.3 | Low | 76 | Confident | 245 Ų | 245 | 120 Ų | 120 | 93% | 0.925 | 60% | 0.596 | S | S | * | * | | | trans | -62.6 | 116.1 | -173.2 | -166.8 | 172.2 | -176 | 172.2 | 0.9 | 108.1 | R510 R514 | R510-R512 PolarHBondContact O-N 2.82Å; R512-R514 PolarHBondContact O-N 3.13Å |
| 513 | G | 79.7 | Confident | 77.6 | Confident | 67 Ų | 67 | 118.8 Ų | 118.8 | 69% | 0.691 | 59% | 0.585 | S | S | * | * | | | trans | -55 | 131.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111 | R511 Q515 | R511-G513 PolarHBondContact O-N 3.39Å; R511-G513 VanDerWaalsContact O-N 3.11Å; G513-Q515 PolarHBondContact O-N 2.9Å; G513-Q515 VanDerWaalsContact O-N 3.09Å |
| 514 | R | 88.1 | Confident | 79.3 | Confident | 174 Ų | 174 | 117.5 Ų | 117.5 | 66% | 0.657 | 57% | 0.573 | S | S | * | * | | | trans | -67.4 | 111.8 | 178.6 | -170.6 | -173 | -166.9 | -77 | 8.1 | 108.5 | R512 T516 | R512-R514 PolarHBondContact O-N 3.13Å; R514-T516 PolarHBondContact O-N 3.15Å |
| 515 | Q | 92 | Very high | 81.3 | Confident | 139 Ų | 139 | 115.9 Ų | 115.9 | 65% | 0.65 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 133.5 | 173.5 | -176 | 54.5 | 47.9 | 0 | 0 | 110.1 | G513 | G513-Q515 PolarHBondContact O-N 2.9Å; G513-Q515 VanDerWaalsContact O-N 3.09Å |
| 516 | T | 95.8 | Very high | 83.1 | Confident | 106 Ų | 106 | 112.6 Ų | 112.6 | 65% | 0.65 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -85.2 | 144.4 | 169.7 | 46.9 | 0 | 0 | 0 | 0 | 109.7 | R514 | R514-T516 PolarHBondContact O-N 3.15Š|
| 517 | Y | 97.9 | Very high | 85.2 | Confident | 45 Ų | 45 | 110.4 Ų | 110.4 | 18% | 0.176 | 51% | 0.514 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 148.5 | 171.7 | -57.7 | -59.4 | 0 | 0 | 0 | 109.8 | L549 Q553 W557 | Y517-L549 HydrophobicContact CD1-CD1 3.9Å; Y517-L549 HydrophobicContact CD1-CD2 3.88Å; Y517-L549 HydrophobicContact CE1-CD1 3.93Å; Y517-L549 HydrophobicContact CE1-CD2 3.8Å; Y517-Q553 HydrophobicContact CE1-CB 4.46Å; Y517-W557 AromaticContact CD2-CD1 3.84Å; Y517-W557 AromaticContact CE2-CD1 3.61Å |
| 518 | S | 97.9 | Very high | 87.1 | Confident | 56 Ų | 56 | 110 Ų | 110 | 39% | 0.392 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 163.4 | 175.5 | 83.1 | 0 | 0 | 0 | 0 | 111.2 | Y520 Q521 T522 | S518-Y520 VanDerWaalsContact C-N 3.26Å; S518-Y520 PolarHBondContact O-N 2.88Å; S518-Y520 PolarHBondContact OG-N 2.82Å; S518-Q521 PolarHBondContact O-N 2.68Å; S518-Q521 WeakPolarHBondContact OG-CG 3.38Å; S518-Q521 PolarHBondContact OG-N 2.91Å; S518-Q521 VanDerWaalsContact OG-N 3.08Å; S518-T522 WeakPolarHBondContact O-CB 3.44Å; S518-T522 PolarHBondContact O-N 3.26Å; S518-T522 PolarHBondContact O-OG1 3.42Å |
| 519 | R | 98 | Very high | 89.2 | Confident | 200 Ų | 200 | 103.3 Ų | 103.3 | 76% | 0.755 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -59 | -40.2 | 174.7 | -172.9 | 177.4 | 179.2 | -173.7 | -0.8 | 111.5 | T522 L523 | R519-T522 PolarHBondContact O-N 3.48Å; R519-L523 HydrophobicContact CG-CD1 4.15Å; R519-L523 VanDerWaalsContact O-CG 3.28Å; R519-L523 WeakPolarHBondContact O-CG 3.43Å; R519-L523 PolarHBondContact O-N 2.85Å |
| 520 | Y | 98.2 | Very high | 91.2 | Very high | 134 Ų | 134 | 100.3 Ų | 100.3 | 53% | 0.525 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.8 | -50.5 | 176.1 | 173.6 | -112.1 | 0 | 0 | 0 | 112.1 | S518 T522 L523 E524 L547 | S518-Y520 VanDerWaalsContact C-N 3.26Å; S518-Y520 PolarHBondContact O-N 2.88Å; S518-Y520 PolarHBondContact OG-N 2.82Å; Y520-T522 VanDerWaalsContact C-N 3.25Å; Y520-T522 PolarHBondContact O-N 2.97Å; Y520-L523 PolarHBondContact O-N 3.07Å; Y520-L523 VanDerWaalsContact O-N 3.13Å; Y520-E524 HydrophobicContact CD2-CG 4.13Å; Y520-E524 HydrophobicContact CE1-CG 4.48Å; Y520-E524 HydrophobicContact CE2-CG 3.54Å; Y520-E524 PolarHBondContact O-N 3.33Å; Y520-L547 HydrophobicContact CD1-CD2 4.47Å; Y520-L547 HydrophobicContact CE1-CD2 3.86Å |
| 521 | Q | 98.4 | Very high | 93.2 | Very high | 31 Ų | 31 | 100.1 Ų | 100.1 | 15% | 0.145 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -55.5 | -43.2 | 175.8 | -72.8 | 172.6 | -26.6 | 0 | 0 | 111.4 | S518 L525 L547 L549 | S518-Q521 PolarHBondContact O-N 2.68Å; S518-Q521 WeakPolarHBondContact OG-CG 3.38Å; S518-Q521 PolarHBondContact OG-N 2.91Å; S518-Q521 VanDerWaalsContact OG-N 3.08Å; Q521-L525 VanDerWaalsContact O-CB 3.31Å; Q521-L525 WeakPolarHBondContact O-CB 3.45Å; Q521-L525 VanDerWaalsContact O-CD1 3.29Å; Q521-L525 WeakPolarHBondContact O-CD1 3.46Å; Q521-L525 WeakPolarHBondContact O-CG 3.32Å; Q521-L525 PolarHBondContact O-N 3.48Å; Q521-L547 HydrophobicContact CG-CB 4.29Å; Q521-L547 PolarHBondContact NE2-O 2.85Å; Q521-L549 HydrophobicContact CG-CD1 4.38Å |
| 522 | T | 98.2 | Very high | 94.9 | Very high | 60 Ų | 60 | 92 Ų | 92 | 37% | 0.368 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.6 | -37.9 | 179.9 | -52.3 | 0 | 0 | 0 | 0 | 112.4 | S518 R519 Y520 E526 | S518-T522 WeakPolarHBondContact O-CB 3.44Å; S518-T522 PolarHBondContact O-N 3.26Å; S518-T522 PolarHBondContact O-OG1 3.42Å; R519-T522 PolarHBondContact O-N 3.48Å; Y520-T522 VanDerWaalsContact C-N 3.25Å; Y520-T522 PolarHBondContact O-N 2.97Å; T522-E526 WeakPolarHBondContact O-CB 3.45Å; T522-E526 PolarHBondContact O-N 2.93Å; T522-E526 VanDerWaalsContact O-N 3.07Å |
| 523 | L | 98.2 | Very high | 96.3 | Very high | 102 Ų | 102 | 83.8 Ų | 83.8 | 53% | 0.534 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.3 | -47.9 | 177.9 | -75.6 | 166.9 | 0 | 0 | 0 | 112.1 | R519 Y520 E526 K527 | R519-L523 HydrophobicContact CG-CD1 4.15Å; R519-L523 VanDerWaalsContact O-CG 3.28Å; R519-L523 WeakPolarHBondContact O-CG 3.43Å; R519-L523 PolarHBondContact O-N 2.85Å; Y520-L523 PolarHBondContact O-N 3.07Å; Y520-L523 VanDerWaalsContact O-N 3.13Å; L523-E526 PolarHBondContact O-N 3.37Å; L523-K527 WeakPolarHBondContact O-CB 3.49Å; L523-K527 PolarHBondContact O-N 3.32Å |
| 524 | E | 98.3 | Very high | 97.2 | Very high | 47 Ų | 47 | 88 Ų | 88 | 22% | 0.22 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -67 | -38 | 178.9 | -68.6 | -64.2 | 130.4 | 0 | 0 | 111.7 | Y520 E526 K527 E528 L547 | Y520-E524 HydrophobicContact CD2-CG 4.13Å; Y520-E524 HydrophobicContact CE1-CG 4.48Å; Y520-E524 HydrophobicContact CE2-CG 3.54Å; Y520-E524 PolarHBondContact O-N 3.33Å; E524-E526 PolarHBondContact O-N 2.94Å; E524-K527 VanDerWaalsContact CD-NZ 3.32Å; E524-K527 PolarHBondContact O-N 2.9Å; E524-K527 IonicContact OE1-NZ 3.89Å; E524-K527 PolarHBondContact OE1-NZ 3.38Å; E524-K527 IonicContact OE2-NZ 2.79Å; E524-K527 PolarHBondContact OE2-NZ 2.9Å; E524-E528 VanDerWaalsContact O-CG 3.3Å; E524-E528 WeakPolarHBondContact O-CG 3.4Å; E524-E528 PolarHBondContact O-N 3.49Å; E524-L547 HydrophobicContact CB-CD1 4.11Å; E524-L547 HydrophobicContact CB-CD2 3.71Å; E524-L547 HydrophobicContact CG-CD2 4.04Å |
| 525 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 81.1 Ų | 81.1 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 173.3 | -73.2 | 165.6 | 0 | 0 | 0 | 112.7 | Q521 F529 I543 L547 L549 I554 W557 F558 | Q521-L525 VanDerWaalsContact O-CB 3.31Å; Q521-L525 WeakPolarHBondContact O-CB 3.45Å; Q521-L525 VanDerWaalsContact O-CD1 3.29Å; Q521-L525 WeakPolarHBondContact O-CD1 3.46Å; Q521-L525 WeakPolarHBondContact O-CG 3.32Å; Q521-L525 PolarHBondContact O-N 3.48Å; L525-F529 WeakPolarHBondContact O-CB 3.34Å; L525-F529 PolarHBondContact O-N 3.43Å; L525-I543 HydrophobicContact CD2-CG2 4.19Å; L525-L547 HydrophobicContact CD1-CD1 4.41Å; L525-L547 HydrophobicContact CD2-CD1 3.98Å; L525-L547 HydrophobicContact CG-CD1 3.72Å; L525-L549 HydrophobicContact CD1-CD1 4.19Å; L525-I554 HydrophobicContact CD2-CD1 3.83Å; L525-W557 VanDerWaalsContact C-CH2 3.47Å; L525-W557 HydrophobicContact CB-CD2 3.87Å; L525-W557 HydrophobicContact CB-CE3 3.99Å; L525-W557 HydrophobicContact CB-CH2 3.81Å; L525-W557 HydrophobicContact CB-CZ2 3.64Å; L525-W557 HydrophobicContact CB-CZ3 3.97Å; L525-W557 HydrophobicContact CD1-CD2 4.01Å; L525-W557 HydrophobicContact CD1-CG 3.85Å; L525-W557 HydrophobicContact CD2-CD2 4.21Å; L525-W557 HydrophobicContact CD2-CE3 4.18Å; L525-W557 HydrophobicContact CD2-CG 4.43Å; L525-W557 HydrophobicContact CG-CD2 4.25Å; L525-W557 WeakPolarHBondContact O-CH2 3.44Å; L525-W557 WeakPolarHBondContact O-CZ3 3.28Å; L525-F558 HydrophobicContact CD2-CE2 4.04Å |
| 526 | E | 98.5 | Very high | 97.9 | Very high | 52 Ų | 52 | 79 Ų | 79 | 24% | 0.243 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -71.7 | -33.1 | 178.1 | -167.2 | 66.4 | -149.1 | 0 | 0 | 112.3 | T522 L523 E524 F529 Q530 W557 R561 | T522-E526 WeakPolarHBondContact O-CB 3.45Å; T522-E526 PolarHBondContact O-N 2.93Å; T522-E526 VanDerWaalsContact O-N 3.07Å; L523-E526 PolarHBondContact O-N 3.37Å; E524-E526 PolarHBondContact O-N 2.94Å; E526-F529 PolarHBondContact O-N 2.87Å; E526-Q530 WeakPolarHBondContact O-CG 3.38Å; E526-Q530 PolarHBondContact O-N 3.16Å; E526-Q530 VanDerWaalsContact O-N 3.16Å; E526-Q530 PolarHBondContact O-NE2 2.91Å; E526-W557 HydrophobicContact CB-CH2 4.49Å; E526-R561 VanDerWaalsContact CD-NE 3.26Å; E526-R561 IonicContact OE1-CZ 3.85Å; E526-R561 IonicContact OE1-NE 3.09Å; E526-R561 PolarHBondContact OE1-NE 3.09Å; E526-R561 IonicContact OE1-NH2 3.32Å; E526-R561 PolarHBondContact OE1-NH2 2.78Å; E526-R561 VanDerWaalsContact OE2-CD 3.32Å; E526-R561 WeakPolarHBondContact OE2-CD 3.46Å; E526-R561 IonicContact OE2-CZ 3.52Å; E526-R561 IonicContact OE2-NE 3.5Å; E526-R561 PolarHBondContact OE2-NE 3.08Å |
| 527 | K | 98.2 | Very high | 98 | Very high | 108 Ų | 108 | 81.5 Ų | 81.5 | 47% | 0.47 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.9 | -48.8 | 171.3 | 166.2 | -175.4 | 161.7 | -159.8 | 0 | 111.6 | L523 E524 F529 Q530 Y531 | L523-K527 WeakPolarHBondContact O-CB 3.49Å; L523-K527 PolarHBondContact O-N 3.32Å; E524-K527 VanDerWaalsContact CD-NZ 3.32Å; E524-K527 PolarHBondContact O-N 2.9Å; E524-K527 IonicContact OE1-NZ 3.89Å; E524-K527 PolarHBondContact OE1-NZ 3.38Å; E524-K527 IonicContact OE2-NZ 2.79Å; E524-K527 PolarHBondContact OE2-NZ 2.9Å; K527-F529 VanDerWaalsContact C-N 3.3Å; K527-F529 PolarHBondContact O-N 3.13Å; K527-Q530 PolarHBondContact O-N 3.05Å; K527-Y531 PolarHBondContact O-N 3.18Å; K527-Y531 VanDerWaalsContact O-N 3.15Å |
| 528 | E | 98.2 | Very high | 98 | Very high | 19 Ų | 19 | 88.4 Ų | 88.4 | 9% | 0.089 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.6 | -35.6 | 175.7 | -67.9 | -69.1 | 132.3 | 0 | 0 | 111.9 | E524 Q530 Y531 S532 R539 I543 F558 | E524-E528 VanDerWaalsContact O-CG 3.3Å; E524-E528 WeakPolarHBondContact O-CG 3.4Å; E524-E528 PolarHBondContact O-N 3.49Å; E528-Q530 VanDerWaalsContact C-N 3.34Å; E528-Q530 PolarHBondContact O-N 3Å; E528-Y531 PolarHBondContact O-N 2.9Å; E528-S532 PolarHBondContact O-N 3.45Å; E528-R539 IonicContact OE1-CZ 2.71Å; E528-R539 IonicContact OE1-NE 3.71Å; E528-R539 IonicContact OE1-NH2 2.78Å; E528-R539 PolarHBondContact OE1-NH2 3.01Å; E528-R539 IonicContact OE2-CZ 2.72Å; E528-R539 VanDerWaalsContact OE2-CZ 3.3Å; E528-R539 IonicContact OE2-NE 3.67Å; E528-R539 PolarHBondContact OE2-NE 3.13Å; E528-R539 IonicContact OE2-NH2 3.51Å; E528-R539 PolarHBondContact OE2-NH2 3.28Å; E528-I543 HydrophobicContact CB-CD1 4.01Å; E528-I543 HydrophobicContact CG-CD1 3.74Å; E528-I543 HydrophobicContact CG-CG1 4.12Å; E528-I543 WeakPolarHBondContact OE2-CD1 3.28Å; E528-F558 HydrophobicContact CB-CZ 4Å |
| 529 | F | 98.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 89.4 Ų | 89.4 | 1% | 0.009 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.5 | -34.7 | 175.4 | -171.8 | -106.3 | 0 | 0 | 0 | 113.7 | L525 E526 K527 S532 H533 W557 F558 R561 R562 L565 | L525-F529 WeakPolarHBondContact O-CB 3.34Å; L525-F529 PolarHBondContact O-N 3.43Å; E526-F529 PolarHBondContact O-N 2.87Å; K527-F529 VanDerWaalsContact C-N 3.3Å; K527-F529 PolarHBondContact O-N 3.13Å; F529-S532 WeakPolarHBondContact CA-O 3.34Å; F529-S532 CarbonylContact O-C 3.18Å; F529-H533 AromaticContact CD1-CD2 3.81Å; F529-H533 AromaticContact CE1-CD2 3.35Å; F529-H533 WeakPolarHBondContact CE1-CD2 3.34Å; F529-H533 AromaticContact CE1-NE2 3.92Å; F529-H533 HydrophobicContact CE2-CB 3.95Å; F529-H533 AromaticContact CE2-CD2 3.77Å; F529-H533 HydrophobicContact CZ-CB 4.18Å; F529-H533 AromaticContact CZ-CD2 3.32Å; F529-H533 WeakPolarHBondContact CZ-CD2 3.27Å; F529-H533 PolarHBondContact O-CD2 2.77Å; F529-H533 PolarHBondContact O-N 3.41Å; F529-W557 HydrophobicContact CB-CH2 4.02Å; F529-W557 HydrophobicContact CB-CZ3 3.9Å; F529-W557 HydrophobicContact CD2-CZ3 4.29Å; F529-W557 HydrophobicContact CG-CH2 4.46Å; F529-W557 HydrophobicContact CG-CZ3 4.27Å; F529-F558 HydrophobicContact CB-CE1 4.2Å; F529-F558 HydrophobicContact CB-CZ 4.33Å; F529-F558 AromaticContact CD2-CD1 3.88Å; F529-F558 HydrophobicContact CD2-CD1 3.88Å; F529-F558 AromaticContact CD2-CE1 3.83Å; F529-F558 HydrophobicContact CD2-CE1 3.83Å; F529-R561 HydrophobicContact CB-CG 4.3Å; F529-R561 HydrophobicContact CD1-CG 3.43Å; F529-R561 VanDerWaalsContact CD1-CG 3.43Å; F529-R561 HydrophobicContact CD2-CB 4.08Å; F529-R561 HydrophobicContact CD2-CG 3.55Å; F529-R561 HydrophobicContact CE1-CG 3.5Å; F529-R561 HydrophobicContact CE2-CB 4.03Å; F529-R561 HydrophobicContact CE2-CG 3.62Å; F529-R561 HydrophobicContact CG-CB 4.43Å; F529-R561 HydrophobicContact CG-CG 3.46Å; F529-R561 VanDerWaalsContact CG-CG 3.46Å; F529-R561 HydrophobicContact CZ-CB 4.33Å; F529-R561 HydrophobicContact CZ-CG 3.6Å; F529-R562 HydrophobicContact CE2-CG 3.85Å; F529-R562 HydrophobicContact CZ-CG 4.27Å; F529-L565 HydrophobicContact CE1-CB 4.41Å; F529-L565 HydrophobicContact CE1-CD2 4.13Å; F529-L565 HydrophobicContact CZ-CB 4.23Å; F529-L565 HydrophobicContact CZ-CD2 3.94Å |
| 530 | Q | 97.3 | Very high | 98.1 | Very high | 102 Ų | 102 | 82.4 Ų | 82.4 | 48% | 0.477 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -73.1 | -32.3 | 174.9 | -73.2 | 164.8 | 89.9 | 0 | 0 | 112.2 | F339 E526 K527 E528 | F339-Q530 VanDerWaalsContact CZ-OE1 3.31Å; E526-Q530 WeakPolarHBondContact O-CG 3.38Å; E526-Q530 PolarHBondContact O-N 3.16Å; E526-Q530 VanDerWaalsContact O-N 3.16Å; E526-Q530 PolarHBondContact O-NE2 2.91Å; K527-Q530 PolarHBondContact O-N 3.05Å; E528-Q530 VanDerWaalsContact C-N 3.34Å; E528-Q530 PolarHBondContact O-N 3Å |
| 531 | Y | 97.5 | Very high | 98.1 | Very high | 198 Ų | 198 | 78.9 Ų | 78.9 | 78% | 0.776 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -69.8 | -43 | 172.5 | 179.2 | -100.8 | 0 | 0 | 0 | 111.9 | K527 E528 | K527-Y531 PolarHBondContact O-N 3.18Å; K527-Y531 VanDerWaalsContact O-N 3.15Å; E528-Y531 PolarHBondContact O-N 2.9Å |
| 532 | S | 97.2 | Very high | 98.1 | Very high | 45 Ų | 45 | 80.2 Ų | 80.2 | 32% | 0.315 | 36% | 0.361 | S | S | . | . | | | trans | -152 | 131.4 | 169 | 177.7 | 0 | 0 | 0 | 0 | 111.8 | E528 F529 Y534 F558 | E528-S532 PolarHBondContact O-N 3.45Å; F529-S532 WeakPolarHBondContact CA-O 3.34Å; F529-S532 CarbonylContact O-C 3.18Å; S532-Y534 WeakPolarHBondContact CB-O 3.43Å; S532-Y534 PolarHBondContact O-N 2.99Å; S532-Y534 VanDerWaalsContact O-N 3.13Å; S532-Y534 PolarHBondContact OG-N 3.27Å; S532-Y534 VanDerWaalsContact OG-N 3.15Å; S532-Y534 PolarHBondContact OG-O 3.29Å; S532-F558 WeakPolarHBondContact O-CE1 3.42Å |
| 533 | H | 97.7 | Very high | 98.1 | Very high | 72 Ų | 72 | 77.6 Ų | 77.6 | 33% | 0.333 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -67.2 | -9.9 | 173.4 | -58.1 | 133.3 | 0 | 0 | 0 | 113.8 | F529 R562 | F529-H533 AromaticContact CD1-CD2 3.81Å; F529-H533 AromaticContact CE1-CD2 3.35Å; F529-H533 WeakPolarHBondContact CE1-CD2 3.34Å; F529-H533 AromaticContact CE1-NE2 3.92Å; F529-H533 HydrophobicContact CE2-CB 3.95Å; F529-H533 AromaticContact CE2-CD2 3.77Å; F529-H533 HydrophobicContact CZ-CB 4.18Å; F529-H533 AromaticContact CZ-CD2 3.32Å; F529-H533 WeakPolarHBondContact CZ-CD2 3.27Å; F529-H533 PolarHBondContact O-CD2 2.77Å; F529-H533 PolarHBondContact O-N 3.41Å; H533-R562 WeakPolarHBondContact O-CD 3.44Å |
| 534 | Y | 98.3 | Very high | 98.1 | Very high | 155 Ų | 155 | 73.2 Ų | 73.2 | 61% | 0.608 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -133 | 136.7 | -175.6 | -64.7 | -99.6 | 0 | 0 | 0 | 111.2 | S532 | S532-Y534 WeakPolarHBondContact CB-O 3.43Å; S532-Y534 PolarHBondContact O-N 2.99Å; S532-Y534 VanDerWaalsContact O-N 3.13Å; S532-Y534 PolarHBondContact OG-N 3.27Å; S532-Y534 VanDerWaalsContact OG-N 3.15Å; S532-Y534 PolarHBondContact OG-O 3.29Å |
| 535 | L | 97.7 | Very high | 98.1 | Very high | 30 Ų | 30 | 77.7 Ų | 77.7 | 16% | 0.157 | 34% | 0.343 | C | S | . | . | | | trans | -108 | 125.5 | -179.2 | -70.5 | -179 | 0 | 0 | 0 | 113 | R539 R540 I543 I554 F558 | L535-R539 HydrophobicContact CD2-CB 4.27Å; L535-R539 HydrophobicContact CD2-CG 3.83Å; L535-R540 HydrophobicContact CD1-CB 4.49Å; L535-I543 HydrophobicContact CD1-CD1 3.89Å; L535-I543 HydrophobicContact CD2-CD1 3.65Å; L535-I543 HydrophobicContact CG-CD1 4.45Å; L535-I554 HydrophobicContact CD1-CG2 3.38Å; L535-F558 HydrophobicContact CD1-CD1 4.14Å; L535-F558 HydrophobicContact CD1-CD2 3.48Å; L535-F558 VanDerWaalsContact CD1-CD2 3.48Å; L535-F558 HydrophobicContact CD1-CE1 4.06Å; L535-F558 HydrophobicContact CD1-CE2 3.43Å; L535-F558 VanDerWaalsContact CD1-CE2 3.43Å; L535-F558 HydrophobicContact CD1-CG 3.87Å; L535-F558 HydrophobicContact CD1-CZ 3.73Å; L535-F558 HydrophobicContact CD2-CE1 3.97Å; L535-F558 HydrophobicContact CD2-CE2 4.43Å; L535-F558 HydrophobicContact CD2-CZ 3.89Å; L535-F558 HydrophobicContact CG-CD1 3.81Å; L535-F558 HydrophobicContact CG-CD2 4.09Å; L535-F558 HydrophobicContact CG-CE1 3.64Å; L535-F558 HydrophobicContact CG-CE2 3.98Å; L535-F558 HydrophobicContact CG-CG 4.04Å; L535-F558 HydrophobicContact CG-CZ 3.75Å |
| 536 | T | 98.1 | Very high | 98.1 | Very high | 96 Ų | 96 | 82.9 Ų | 82.9 | 59% | 0.589 | 37% | 0.371 | S | S | * | . | | | trans | -62.6 | 158.2 | 164.2 | 66.6 | 0 | 0 | 0 | 0 | 111.1 | R538 R539 R540 | T536-R538 VanDerWaalsContact C-N 3.34Å; T536-R538 PolarHBondContact O-N 3.01Å; T536-R539 PolarHBondContact O-N 2.76Å; T536-R539 WeakPolarHBondContact OG1-CB 3.5Å; T536-R539 PolarHBondContact OG1-N 2.81Å; T536-R540 WeakPolarHBondContact O-CB 3.4Å; T536-R540 PolarHBondContact O-N 3.4Å |
| 537 | R | 98 | Very high | 98 | Very high | 158 Ų | 158 | 80.8 Ų | 80.8 | 60% | 0.596 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -57 | -45.8 | 178.4 | -177.9 | 158.5 | 172.1 | 51.9 | -12.9 | 112 | R540 I541 E551 | R537-R540 WeakPolarHBondContact O-CB 3.46Å; R537-R540 PolarHBondContact O-N 2.93Å; R537-I541 HydrophobicContact CG-CD1 4.22Å; R537-I541 WeakPolarHBondContact O-CG1 3.36Å; R537-I541 PolarHBondContact O-N 3.17Å; R537-E551 IonicContact NH1-OE1 2.82Å; R537-E551 PolarHBondContact NH1-OE1 2.79Å; R537-E551 VanDerWaalsContact NH1-OE1 3.14Å; R537-E551 IonicContact NH1-OE2 2.88Å; R537-E551 PolarHBondContact NH1-OE2 3.01Å |
| 538 | R | 98 | Very high | 98 | Very high | 189 Ų | 189 | 81.1 Ų | 81.1 | 71% | 0.713 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -58.1 | -51.3 | 176 | -179.4 | 174.7 | 177.4 | 141.7 | 3.9 | 112.3 | T536 R540 I541 E542 | T536-R538 VanDerWaalsContact C-N 3.34Å; T536-R538 PolarHBondContact O-N 3.01Å; R538-R540 VanDerWaalsContact C-N 3.28Å; R538-R540 PolarHBondContact O-N 3.43Å; R538-I541 WeakPolarHBondContact O-CB 3.13Å; R538-I541 PolarHBondContact O-N 3.5Å; R538-I541 VanDerWaalsContact O-N 3.14Å; R538-E542 WeakPolarHBondContact CG-OE1 3.4Å; R538-E542 IonicContact CZ-OE1 2.71Å; R538-E542 IonicContact NE-OE1 2.63Å; R538-E542 PolarHBondContact NE-OE1 2.76Å; R538-E542 IonicContact NH2-OE1 3.14Å; R538-E542 PolarHBondContact O-N 2.89Å; R538-E542 VanDerWaalsContact O-N 3.1Å |
| 539 | R | 98.2 | Very high | 98 | Very high | 77 Ų | 77 | 81.1 Ų | 81.1 | 29% | 0.291 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.3 | -32.3 | -177 | -169.7 | 58.2 | -178.5 | 169.7 | -0.5 | 112.3 | E528 L535 T536 I541 E542 I543 | E528-R539 IonicContact OE1-CZ 2.71Å; E528-R539 IonicContact OE1-NE 3.71Å; E528-R539 IonicContact OE1-NH2 2.78Å; E528-R539 PolarHBondContact OE1-NH2 3.01Å; E528-R539 IonicContact OE2-CZ 2.72Å; E528-R539 VanDerWaalsContact OE2-CZ 3.3Å; E528-R539 IonicContact OE2-NE 3.67Å; E528-R539 PolarHBondContact OE2-NE 3.13Å; E528-R539 IonicContact OE2-NH2 3.51Å; E528-R539 PolarHBondContact OE2-NH2 3.28Å; L535-R539 HydrophobicContact CD2-CB 4.27Å; L535-R539 HydrophobicContact CD2-CG 3.83Å; T536-R539 PolarHBondContact O-N 2.76Å; T536-R539 WeakPolarHBondContact OG1-CB 3.5Å; T536-R539 PolarHBondContact OG1-N 2.81Å; R539-I541 VanDerWaalsContact C-N 3.34Å; R539-I541 PolarHBondContact O-N 2.91Å; R539-E542 WeakPolarHBondContact CD-OE2 3.44Å; R539-E542 IonicContact CZ-OE2 3.79Å; R539-E542 IonicContact NE-OE2 3.18Å; R539-E542 IonicContact NH1-OE2 2.9Å; R539-E542 PolarHBondContact NH1-OE2 3.15Å; R539-E542 PolarHBondContact O-N 3.02Å; R539-I543 HydrophobicContact CG-CD1 3.88Å; R539-I543 HydrophobicContact CG-CG1 4.35Å; R539-I543 VanDerWaalsContact O-CG1 3.28Å; R539-I543 WeakPolarHBondContact O-CG1 3.36Å; R539-I543 PolarHBondContact O-N 3.05Å |
| 540 | R | 98.4 | Very high | 98 | Very high | 54 Ų | 54 | 84.7 Ų | 84.7 | 20% | 0.204 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -59.7 | -41.9 | 173.2 | -164.4 | -169.2 | -52.6 | 147 | 1.6 | 112.3 | L535 T536 R537 R538 A544 E551 I554 | L535-R540 HydrophobicContact CD1-CB 4.49Å; T536-R540 WeakPolarHBondContact O-CB 3.4Å; T536-R540 PolarHBondContact O-N 3.4Å; R537-R540 WeakPolarHBondContact O-CB 3.46Å; R537-R540 PolarHBondContact O-N 2.93Å; R538-R540 VanDerWaalsContact C-N 3.28Å; R538-R540 PolarHBondContact O-N 3.43Å; R540-A544 WeakPolarHBondContact O-CB 3.45Å; R540-A544 PolarHBondContact O-N 2.67Å; R540-E551 WeakPolarHBondContact CD-OE1 3.48Å; R540-E551 HydrophobicContact CG-CB 4.34Å; R540-E551 HydrophobicContact CG-CG 4.26Å; R540-E551 IonicContact NH1-OE1 3.19Å; R540-I554 HydrophobicContact CG-CB 4.06Å; R540-I554 HydrophobicContact CG-CG2 3.86Å |
| 541 | I | 98.5 | Very high | 98.1 | Very high | 59 Ų | 59 | 82.8 Ų | 82.8 | 30% | 0.303 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.3 | -47.6 | 177.2 | -65.5 | 162.1 | 0 | 0 | 0 | 110.3 | R537 R538 R539 I543 A544 H545 E551 | R537-I541 HydrophobicContact CG-CD1 4.22Å; R537-I541 WeakPolarHBondContact O-CG1 3.36Å; R537-I541 PolarHBondContact O-N 3.17Å; R538-I541 WeakPolarHBondContact O-CB 3.13Å; R538-I541 PolarHBondContact O-N 3.5Å; R538-I541 VanDerWaalsContact O-N 3.14Å; R539-I541 VanDerWaalsContact C-N 3.34Å; R539-I541 PolarHBondContact O-N 2.91Å; I541-I543 PolarHBondContact O-N 3.43Å; I541-A544 WeakPolarHBondContact O-CB 3.27Å; I541-A544 PolarHBondContact O-N 3.35Å; I541-H545 PolarHBondContact O-CD2 3.3Å; I541-H545 PolarHBondContact O-N 3.17Å; I541-H545 VanDerWaalsContact O-N 3.08Å; I541-E551 HydrophobicContact CG1-CG 4.08Å |
| 542 | E | 98.4 | Very high | 98.1 | Very high | 60 Ų | 60 | 82.2 Ų | 82.2 | 28% | 0.28 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -56.5 | -47.6 | 177.7 | -67.8 | 169.7 | -175.1 | 0 | 0 | 112.2 | R538 R539 N546 | R538-E542 WeakPolarHBondContact CG-OE1 3.4Å; R538-E542 IonicContact CZ-OE1 2.71Å; R538-E542 IonicContact NE-OE1 2.63Å; R538-E542 PolarHBondContact NE-OE1 2.76Å; R538-E542 IonicContact NH2-OE1 3.14Å; R538-E542 PolarHBondContact O-N 2.89Å; R538-E542 VanDerWaalsContact O-N 3.1Å; R539-E542 WeakPolarHBondContact CD-OE2 3.44Å; R539-E542 IonicContact CZ-OE2 3.79Å; R539-E542 IonicContact NE-OE2 3.18Å; R539-E542 IonicContact NH1-OE2 2.9Å; R539-E542 PolarHBondContact NH1-OE2 3.15Å; R539-E542 PolarHBondContact O-N 3.02Å; E542-N546 WeakPolarHBondContact O-CB 3.31Å; E542-N546 PolarHBondContact O-N 3.43Å; E542-N546 VanDerWaalsContact O-N 3.12Å; E542-N546 PolarHBondContact O-ND2 2.92Å |
| 543 | I | 98.2 | Very high | 98.1 | Very high | 5 Ų | 5 | 82.9 Ų | 82.9 | 3% | 0.026 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67.4 | -38.3 | 177.4 | -60.8 | 164.5 | 0 | 0 | 0 | 111.4 | L525 E528 L535 R539 I541 H545 N546 L547 I554 | L525-I543 HydrophobicContact CD2-CG2 4.19Å; E528-I543 HydrophobicContact CB-CD1 4.01Å; E528-I543 HydrophobicContact CG-CD1 3.74Å; E528-I543 HydrophobicContact CG-CG1 4.12Å; E528-I543 WeakPolarHBondContact OE2-CD1 3.28Å; L535-I543 HydrophobicContact CD1-CD1 3.89Å; L535-I543 HydrophobicContact CD2-CD1 3.65Å; L535-I543 HydrophobicContact CG-CD1 4.45Å; R539-I543 HydrophobicContact CG-CD1 3.88Å; R539-I543 HydrophobicContact CG-CG1 4.35Å; R539-I543 VanDerWaalsContact O-CG1 3.28Å; R539-I543 WeakPolarHBondContact O-CG1 3.36Å; R539-I543 PolarHBondContact O-N 3.05Å; I541-I543 PolarHBondContact O-N 3.43Å; I543-H545 PolarHBondContact O-N 2.88Å; I543-N546 PolarHBondContact O-N 3.11Å; I543-L547 HydrophobicContact CG2-CD1 3.6Å; I543-L547 HydrophobicContact CG2-CG 4.05Å; I543-L547 WeakPolarHBondContact O-CB 3.2Å; I543-L547 WeakPolarHBondContact O-CG 3.3Å; I543-L547 PolarHBondContact O-N 2.97Å; I543-I554 HydrophobicContact CG2-CD1 3.81Å; I543-I554 HydrophobicContact CG2-CG1 4.5Å; I543-I554 HydrophobicContact CG2-CG2 4.49Å |
| 544 | A | 98.5 | Very high | 98.2 | Very high | 9 Ų | 9 | 79.4 Ų | 79.4 | 7% | 0.074 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -57.8 | -48.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R540 I541 C548 L549 E551 I554 | R540-A544 WeakPolarHBondContact O-CB 3.45Å; R540-A544 PolarHBondContact O-N 2.67Å; I541-A544 WeakPolarHBondContact O-CB 3.27Å; I541-A544 PolarHBondContact O-N 3.35Å; A544-C548 PolarHBondContact O-N 2.99Å; A544-L549 CarbonylContact C-O 3.35Å; A544-L549 WeakPolarHBondContact CA-O 3.4Å; A544-L549 WeakPolarHBondContact CB-O 3.36Å; A544-L549 PolarHBondContact O-N 3.07Å; A544-E551 HydrophobicContact CB-CG 4.35Å; A544-I554 HydrophobicContact CB-CG1 4.09Å |
| 545 | H | 98.1 | Very high | 98.2 | Very high | 141 Ų | 141 | 78.3 Ų | 78.3 | 65% | 0.653 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64 | -50.4 | 175 | -69.3 | -67.8 | 0 | 0 | 0 | 112.1 | I541 I543 L547 C548 | I541-H545 PolarHBondContact O-CD2 3.3Å; I541-H545 PolarHBondContact O-N 3.17Å; I541-H545 VanDerWaalsContact O-N 3.08Å; I543-H545 PolarHBondContact O-N 2.88Å; H545-L547 PolarHBondContact O-N 3.15Å; H545-C548 PolarHBondContact O-N 2.84Å |
| 546 | N | 97.8 | Very high | 98.2 | Very high | 109 Ų | 109 | 79.1 Ų | 79.1 | 58% | 0.583 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.1 | -30.2 | -175.8 | -70 | -11 | 0 | 0 | 0 | 113.8 | E542 I543 | E542-N546 WeakPolarHBondContact O-CB 3.31Å; E542-N546 PolarHBondContact O-N 3.43Å; E542-N546 VanDerWaalsContact O-N 3.12Å; E542-N546 PolarHBondContact O-ND2 2.92Å; I543-N546 PolarHBondContact O-N 3.11Å |
| 547 | L | 97.9 | Very high | 98.2 | Very high | 8 Ų | 8 | 75.9 Ų | 75.9 | 4% | 0.042 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -103.1 | 1.2 | -177.1 | -59.8 | -171 | 0 | 0 | 0 | 114.1 | Y520 Q521 E524 L525 I543 H545 L549 | Y520-L547 HydrophobicContact CD1-CD2 4.47Å; Y520-L547 HydrophobicContact CE1-CD2 3.86Å; Q521-L547 HydrophobicContact CG-CB 4.29Å; Q521-L547 PolarHBondContact NE2-O 2.85Å; E524-L547 HydrophobicContact CB-CD1 4.11Å; E524-L547 HydrophobicContact CB-CD2 3.71Å; E524-L547 HydrophobicContact CG-CD2 4.04Å; L525-L547 HydrophobicContact CD1-CD1 4.41Å; L525-L547 HydrophobicContact CD2-CD1 3.98Å; L525-L547 HydrophobicContact CG-CD1 3.72Å; I543-L547 HydrophobicContact CG2-CD1 3.6Å; I543-L547 HydrophobicContact CG2-CG 4.05Å; I543-L547 WeakPolarHBondContact O-CB 3.2Å; I543-L547 WeakPolarHBondContact O-CG 3.3Å; I543-L547 PolarHBondContact O-N 2.97Å; H545-L547 PolarHBondContact O-N 3.15Å; L547-L549 VanDerWaalsContact C-N 3.32Å; L547-L549 HydrophobicContact CB-CD1 4.21Å; L547-L549 HydrophobicContact CB-CG 4.26Å; L547-L549 PolarHBondContact O-N 3.47Å |
| 548 | C | 98.1 | Very high | 98.2 | Very high | 116 Ų | 116 | 68.7 Ų | 68.7 | 78% | 0.784 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 48.4 | -171.7 | -60.7 | 0 | 0 | 0 | 0 | 112.6 | A544 H545 | A544-C548 PolarHBondContact O-N 2.99Å; H545-C548 PolarHBondContact O-N 2.84Å |
| 549 | L | 97.8 | Very high | 98.2 | Very high | 18 Ų | 18 | 64.8 Ų | 64.8 | 9% | 0.094 | 31% | 0.311 | C | S | . | . | | | trans | -127.7 | 147.5 | 178.5 | -68.1 | 178.7 | 0 | 0 | 0 | 110.1 | Y517 Q521 L525 A544 L547 Q553 I554 | Y517-L549 HydrophobicContact CD1-CD1 3.9Å; Y517-L549 HydrophobicContact CD1-CD2 3.88Å; Y517-L549 HydrophobicContact CE1-CD1 3.93Å; Y517-L549 HydrophobicContact CE1-CD2 3.8Å; Q521-L549 HydrophobicContact CG-CD1 4.38Å; L525-L549 HydrophobicContact CD1-CD1 4.19Å; A544-L549 CarbonylContact C-O 3.35Å; A544-L549 WeakPolarHBondContact CA-O 3.4Å; A544-L549 WeakPolarHBondContact CB-O 3.36Å; A544-L549 PolarHBondContact O-N 3.07Å; L547-L549 VanDerWaalsContact C-N 3.32Å; L547-L549 HydrophobicContact CB-CD1 4.21Å; L547-L549 HydrophobicContact CB-CG 4.26Å; L547-L549 PolarHBondContact O-N 3.47Å; L549-Q553 HydrophobicContact CB-CB 4.36Å; L549-I554 HydrophobicContact CB-CD1 3.88Å; L549-I554 HydrophobicContact CB-CG1 4.43Å; L549-I554 HydrophobicContact CD1-CD1 3.95Å |
| 550 | T | 98.3 | Very high | 98.3 | Very high | 78 Ų | 78 | 65.4 Ų | 65.4 | 48% | 0.479 | 32% | 0.32 | S | S | . | . | | | trans | -68.3 | 149.1 | 175 | 59 | 0 | 0 | 0 | 0 | 111.9 | R552 Q553 I554 | T550-R552 PolarHBondContact O-N 3.37Å; T550-Q553 WeakPolarHBondContact O-CA 3.5Å; T550-Q553 WeakPolarHBondContact O-CB 3.24Å; T550-Q553 PolarHBondContact O-N 3.25Å; T550-Q553 WeakPolarHBondContact OG1-CG 3.22Å; T550-Q553 PolarHBondContact OG1-N 3.33Å; T550-Q553 PolarHBondContact OG1-OE1 3.4Å; T550-I554 PolarHBondContact O-N 3.02Å; T550-I554 VanDerWaalsContact O-N 3.07Å |
| 551 | E | 98.5 | Very high | 98.3 | Very high | 61 Ų | 61 | 64.2 Ų | 64.2 | 29% | 0.285 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -47.6 | -37.2 | 170.6 | -81.8 | -163.6 | 74.4 | 0 | 0 | 112.1 | R537 R540 I541 A544 I554 K555 | R537-E551 IonicContact NH1-OE1 2.82Å; R537-E551 PolarHBondContact NH1-OE1 2.79Å; R537-E551 VanDerWaalsContact NH1-OE1 3.14Å; R537-E551 IonicContact NH1-OE2 2.88Å; R537-E551 PolarHBondContact NH1-OE2 3.01Å; R540-E551 WeakPolarHBondContact CD-OE1 3.48Å; R540-E551 HydrophobicContact CG-CB 4.34Å; R540-E551 HydrophobicContact CG-CG 4.26Å; R540-E551 IonicContact NH1-OE1 3.19Å; I541-E551 HydrophobicContact CG1-CG 4.08Å; A544-E551 HydrophobicContact CB-CG 4.35Å; E551-I554 PolarHBondContact O-N 3.14Å; E551-K555 WeakPolarHBondContact O-CB 3.33Å; E551-K555 PolarHBondContact O-N 3.01Å |
| 552 | R | 98 | Very high | 98.3 | Very high | 186 Ų | 186 | 66 Ų | 66 | 70% | 0.702 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -64.5 | -41.9 | 177.2 | -169.6 | 176.8 | -172.8 | -84.9 | -0.5 | 112.5 | T550 I554 I556 | T550-R552 PolarHBondContact O-N 3.37Å; R552-I554 VanDerWaalsContact C-N 3.35Å; R552-I556 HydrophobicContact CG-CD1 3.94Å; R552-I556 WeakPolarHBondContact O-CB 3.48Å; R552-I556 WeakPolarHBondContact O-CG1 3.49Å; R552-I556 PolarHBondContact O-N 3.1Å |
| 553 | Q | 98.1 | Very high | 98.2 | Very high | 59 Ų | 59 | 67.9 Ų | 67.9 | 28% | 0.276 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.7 | -39.3 | 173.5 | -76.4 | 162.3 | -65.9 | 0 | 0 | 111.6 | Y517 L549 T550 W557 | Y517-Q553 HydrophobicContact CE1-CB 4.46Å; L549-Q553 HydrophobicContact CB-CB 4.36Å; T550-Q553 WeakPolarHBondContact O-CA 3.5Å; T550-Q553 WeakPolarHBondContact O-CB 3.24Å; T550-Q553 PolarHBondContact O-N 3.25Å; T550-Q553 WeakPolarHBondContact OG1-CG 3.22Å; T550-Q553 PolarHBondContact OG1-N 3.33Å; T550-Q553 PolarHBondContact OG1-OE1 3.4Å; Q553-W557 WeakPolarHBondContact O-CB 3.43Å; Q553-W557 PolarHBondContact O-N 3.49Å |
| 554 | I | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.6 | -51.5 | 175 | -55 | -58.3 | 0 | 0 | 0 | 110.9 | L525 L535 R540 I543 A544 L549 T550 E551 R552 I556 W557 F558 | L525-I554 HydrophobicContact CD2-CD1 3.83Å; L535-I554 HydrophobicContact CD1-CG2 3.38Å; R540-I554 HydrophobicContact CG-CB 4.06Å; R540-I554 HydrophobicContact CG-CG2 3.86Å; I543-I554 HydrophobicContact CG2-CD1 3.81Å; I543-I554 HydrophobicContact CG2-CG1 4.5Å; I543-I554 HydrophobicContact CG2-CG2 4.49Å; A544-I554 HydrophobicContact CB-CG1 4.09Å; L549-I554 HydrophobicContact CB-CD1 3.88Å; L549-I554 HydrophobicContact CB-CG1 4.43Å; L549-I554 HydrophobicContact CD1-CD1 3.95Å; T550-I554 PolarHBondContact O-N 3.02Å; T550-I554 VanDerWaalsContact O-N 3.07Å; E551-I554 PolarHBondContact O-N 3.14Å; R552-I554 VanDerWaalsContact C-N 3.35Å; I554-I556 VanDerWaalsContact C-N 3.32Å; I554-I556 PolarHBondContact O-N 3.17Å; I554-W557 PolarHBondContact O-N 3.02Å; I554-W557 VanDerWaalsContact O-N 3.15Å; I554-F558 HydrophobicContact CG2-CD2 4.15Å; I554-F558 HydrophobicContact CG2-CE2 4.38Å; I554-F558 PolarHBondContact O-N 3.41Å |
| 555 | K | 98.2 | Very high | 98.2 | Very high | 132 Ų | 132 | 74 Ų | 74 | 57% | 0.574 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -54.6 | -46.6 | 176.8 | -173.4 | 176.5 | -179.1 | 178.1 | 0 | 111.2 | E551 Q559 | E551-K555 WeakPolarHBondContact O-CB 3.33Å; E551-K555 PolarHBondContact O-N 3.01Å; K555-Q559 WeakPolarHBondContact O-CB 3.38Å; K555-Q559 PolarHBondContact O-N 2.9Å |
| 556 | I | 98.2 | Very high | 98.1 | Very high | 46 Ų | 46 | 74.2 Ų | 74.2 | 24% | 0.236 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.4 | -39.7 | 178.4 | -70.6 | 170.9 | 0 | 0 | 0 | 111.8 | R552 I554 Q559 N560 | R552-I556 HydrophobicContact CG-CD1 3.94Å; R552-I556 WeakPolarHBondContact O-CB 3.48Å; R552-I556 WeakPolarHBondContact O-CG1 3.49Å; R552-I556 PolarHBondContact O-N 3.1Å; I554-I556 VanDerWaalsContact C-N 3.32Å; I554-I556 PolarHBondContact O-N 3.17Å; I556-Q559 PolarHBondContact O-N 3.12Å; I556-N560 WeakPolarHBondContact CG2-ND2 3.19Å; I556-N560 PolarHBondContact O-N 3.2Å; I556-N560 PolarHBondContact O-ND2 3.38Å |
| 557 | W | 98.6 | Very high | 98 | Very high | 28 Ų | 28 | 75.6 Ų | 75.6 | 11% | 0.106 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.2 | -47 | 177.3 | -172.6 | 102.6 | 0 | 0 | 0 | 110.8 | Y517 L525 E526 F529 Q553 I554 Q559 N560 R561 | Y517-W557 AromaticContact CD2-CD1 3.84Å; Y517-W557 AromaticContact CE2-CD1 3.61Å; L525-W557 VanDerWaalsContact C-CH2 3.47Å; L525-W557 HydrophobicContact CB-CD2 3.87Å; L525-W557 HydrophobicContact CB-CE3 3.99Å; L525-W557 HydrophobicContact CB-CH2 3.81Å; L525-W557 HydrophobicContact CB-CZ2 3.64Å; L525-W557 HydrophobicContact CB-CZ3 3.97Å; L525-W557 HydrophobicContact CD1-CD2 4.01Å; L525-W557 HydrophobicContact CD1-CG 3.85Å; L525-W557 HydrophobicContact CD2-CD2 4.21Å; L525-W557 HydrophobicContact CD2-CE3 4.18Å; L525-W557 HydrophobicContact CD2-CG 4.43Å; L525-W557 HydrophobicContact CG-CD2 4.25Å; L525-W557 WeakPolarHBondContact O-CH2 3.44Å; L525-W557 WeakPolarHBondContact O-CZ3 3.28Å; E526-W557 HydrophobicContact CB-CH2 4.49Å; F529-W557 HydrophobicContact CB-CH2 4.02Å; F529-W557 HydrophobicContact CB-CZ3 3.9Å; F529-W557 HydrophobicContact CD2-CZ3 4.29Å; F529-W557 HydrophobicContact CG-CH2 4.46Å; F529-W557 HydrophobicContact CG-CZ3 4.27Å; Q553-W557 WeakPolarHBondContact O-CB 3.43Å; Q553-W557 PolarHBondContact O-N 3.49Å; I554-W557 PolarHBondContact O-N 3.02Å; I554-W557 VanDerWaalsContact O-N 3.15Å; W557-Q559 VanDerWaalsContact C-N 3.35Å; W557-Q559 PolarHBondContact O-N 3.34Å; W557-N560 PolarHBondContact O-N 3.08Å; W557-R561 HydrophobicContact CD2-CB 4.42Å; W557-R561 HydrophobicContact CE3-CB 3.92Å; W557-R561 HydrophobicContact CH2-CB 3.77Å; W557-R561 HydrophobicContact CH2-CG 3.52Å; W557-R561 HydrophobicContact CZ2-CB 4.3Å; W557-R561 HydrophobicContact CZ2-CG 4.25Å; W557-R561 HydrophobicContact CZ3-CB 3.56Å; W557-R561 HydrophobicContact CZ3-CG 3.7Å; W557-R561 WeakPolarHBondContact O-CB 3.29Å; W557-R561 PolarHBondContact O-N 3.34Å |
| 558 | F | 98.7 | Very high | 97.9 | Very high | 8 Ų | 8 | 77.9 Ų | 77.9 | 4% | 0.035 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.2 | -37.8 | 178.2 | -90.5 | -102.3 | 0 | 0 | 0 | 112.8 | L525 E528 F529 S532 L535 I554 R561 R562 | L525-F558 HydrophobicContact CD2-CE2 4.04Å; E528-F558 HydrophobicContact CB-CZ 4Å; F529-F558 HydrophobicContact CB-CE1 4.2Å; F529-F558 HydrophobicContact CB-CZ 4.33Å; F529-F558 AromaticContact CD2-CD1 3.88Å; F529-F558 HydrophobicContact CD2-CD1 3.88Å; F529-F558 AromaticContact CD2-CE1 3.83Å; F529-F558 HydrophobicContact CD2-CE1 3.83Å; S532-F558 WeakPolarHBondContact O-CE1 3.42Å; L535-F558 HydrophobicContact CD1-CD1 4.14Å; L535-F558 HydrophobicContact CD1-CD2 3.48Å; L535-F558 VanDerWaalsContact CD1-CD2 3.48Å; L535-F558 HydrophobicContact CD1-CE1 4.06Å; L535-F558 HydrophobicContact CD1-CE2 3.43Å; L535-F558 VanDerWaalsContact CD1-CE2 3.43Å; L535-F558 HydrophobicContact CD1-CG 3.87Å; L535-F558 HydrophobicContact CD1-CZ 3.73Å; L535-F558 HydrophobicContact CD2-CE1 3.97Å; L535-F558 HydrophobicContact CD2-CE2 4.43Å; L535-F558 HydrophobicContact CD2-CZ 3.89Å; L535-F558 HydrophobicContact CG-CD1 3.81Å; L535-F558 HydrophobicContact CG-CD2 4.09Å; L535-F558 HydrophobicContact CG-CE1 3.64Å; L535-F558 HydrophobicContact CG-CE2 3.98Å; L535-F558 HydrophobicContact CG-CG 4.04Å; L535-F558 HydrophobicContact CG-CZ 3.75Å; I554-F558 HydrophobicContact CG2-CD2 4.15Å; I554-F558 HydrophobicContact CG2-CE2 4.38Å; I554-F558 PolarHBondContact O-N 3.41Å; F558-R561 PolarHBondContact O-N 3.44Å; F558-R562 WeakPolarHBondContact O-CG 3.4Å; F558-R562 PolarHBondContact O-N 3.47Å |
| 559 | Q | 98.3 | Very high | 97.6 | Very high | 107 Ų | 107 | 79.9 Ų | 79.9 | 50% | 0.5 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.2 | -47.2 | 172.4 | -168 | -179.9 | 21.5 | 0 | 0 | 111.6 | K555 I556 W557 R561 R562 M563 | K555-Q559 WeakPolarHBondContact O-CB 3.38Å; K555-Q559 PolarHBondContact O-N 2.9Å; I556-Q559 PolarHBondContact O-N 3.12Å; W557-Q559 VanDerWaalsContact C-N 3.35Å; W557-Q559 PolarHBondContact O-N 3.34Å; Q559-R561 VanDerWaalsContact C-N 3.33Å; Q559-R561 PolarHBondContact O-N 3.38Å; Q559-R562 PolarHBondContact O-N 2.93Å; Q559-M563 WeakPolarHBondContact O-CG 3.4Å; Q559-M563 PolarHBondContact O-N 2.89Å |
| 560 | N | 98.4 | Very high | 97.4 | Very high | 90 Ų | 90 | 83.3 Ų | 83.3 | 48% | 0.481 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.2 | -37.6 | 176.2 | -78.6 | -75.8 | 0 | 0 | 0 | 112.4 | I556 W557 M563 K564 | I556-N560 WeakPolarHBondContact CG2-ND2 3.19Å; I556-N560 PolarHBondContact O-N 3.2Å; I556-N560 PolarHBondContact O-ND2 3.38Å; W557-N560 PolarHBondContact O-N 3.08Å; N560-M563 PolarHBondContact O-N 3.18Å; N560-K564 PolarHBondContact O-N 2.86Å |
| 561 | R | 98.5 | Very high | 97 | Very high | 29 Ų | 29 | 85 Ų | 85 | 11% | 0.109 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -71.5 | -37.4 | 179.8 | -175.2 | 63.4 | -171.8 | 99.8 | -7.6 | 112.7 | E526 F529 W557 F558 Q559 K564 L565 E568 | E526-R561 VanDerWaalsContact CD-NE 3.26Å; E526-R561 IonicContact OE1-CZ 3.85Å; E526-R561 IonicContact OE1-NE 3.09Å; E526-R561 PolarHBondContact OE1-NE 3.09Å; E526-R561 IonicContact OE1-NH2 3.32Å; E526-R561 PolarHBondContact OE1-NH2 2.78Å; E526-R561 VanDerWaalsContact OE2-CD 3.32Å; E526-R561 WeakPolarHBondContact OE2-CD 3.46Å; E526-R561 IonicContact OE2-CZ 3.52Å; E526-R561 IonicContact OE2-NE 3.5Å; E526-R561 PolarHBondContact OE2-NE 3.08Å; F529-R561 HydrophobicContact CB-CG 4.3Å; F529-R561 HydrophobicContact CD1-CG 3.43Å; F529-R561 VanDerWaalsContact CD1-CG 3.43Å; F529-R561 HydrophobicContact CD2-CB 4.08Å; F529-R561 HydrophobicContact CD2-CG 3.55Å; F529-R561 HydrophobicContact CE1-CG 3.5Å; F529-R561 HydrophobicContact CE2-CB 4.03Å; F529-R561 HydrophobicContact CE2-CG 3.62Å; F529-R561 HydrophobicContact CG-CB 4.43Å; F529-R561 HydrophobicContact CG-CG 3.46Å; F529-R561 VanDerWaalsContact CG-CG 3.46Å; F529-R561 HydrophobicContact CZ-CB 4.33Å; F529-R561 HydrophobicContact CZ-CG 3.6Å; W557-R561 HydrophobicContact CD2-CB 4.42Å; W557-R561 HydrophobicContact CE3-CB 3.92Å; W557-R561 HydrophobicContact CH2-CB 3.77Å; W557-R561 HydrophobicContact CH2-CG 3.52Å; W557-R561 HydrophobicContact CZ2-CB 4.3Å; W557-R561 HydrophobicContact CZ2-CG 4.25Å; W557-R561 HydrophobicContact CZ3-CB 3.56Å; W557-R561 HydrophobicContact CZ3-CG 3.7Å; W557-R561 WeakPolarHBondContact O-CB 3.29Å; W557-R561 PolarHBondContact O-N 3.34Å; F558-R561 PolarHBondContact O-N 3.44Å; Q559-R561 VanDerWaalsContact C-N 3.33Å; Q559-R561 PolarHBondContact O-N 3.38Å; R561-K564 WeakPolarHBondContact O-CB 3.35Å; R561-K564 PolarHBondContact O-N 3.25Å; R561-L565 PolarHBondContact O-N 3.37Å; R561-E568 IonicContact CZ-OE2 2.67Å; R561-E568 IonicContact NH1-OE2 3.51Å; R561-E568 PolarHBondContact NH1-OE2 3.38Å; R561-E568 IonicContact NH2-OE2 3.17Å |
| 562 | R | 98.4 | Very high | 96.6 | Very high | 97 Ų | 97 | 86.8 Ų | 86.8 | 37% | 0.366 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 167.3 | -74.5 | -171 | -71.6 | 150.8 | -4.5 | 111.6 | F529 H533 F558 Q559 K564 L565 K566 | F529-R562 HydrophobicContact CE2-CG 3.85Å; F529-R562 HydrophobicContact CZ-CG 4.27Å; H533-R562 WeakPolarHBondContact O-CD 3.44Å; F558-R562 WeakPolarHBondContact O-CG 3.4Å; F558-R562 PolarHBondContact O-N 3.47Å; Q559-R562 PolarHBondContact O-N 2.93Å; R562-K564 VanDerWaalsContact C-N 3.31Å; R562-K564 PolarHBondContact O-N 3.33Å; R562-L565 PolarHBondContact O-N 2.79Å; R562-K566 PolarHBondContact O-N 3.3Å |
| 563 | M | 98.2 | Very high | 96.1 | Very high | 99 Ų | 99 | 84.2 Ų | 84.2 | 49% | 0.488 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.8 | -30.5 | 175.4 | -68.8 | -57.9 | -70.3 | 0 | 0 | 113.4 | Q559 N560 K566 K567 | Q559-M563 WeakPolarHBondContact O-CG 3.4Å; Q559-M563 PolarHBondContact O-N 2.89Å; N560-M563 PolarHBondContact O-N 3.18Å; M563-K566 HydrophobicContact SD-CD 4.47Å; M563-K567 WeakPolarHBondContact O-CG 3.37Å; M563-K567 PolarHBondContact O-N 3.35Å |
| 564 | K | 97.6 | Very high | 95.6 | Very high | 105 Ų | 105 | 86.1 Ų | 86.1 | 46% | 0.457 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.9 | -48 | 169.5 | -174.3 | 172.5 | 177.7 | -79.3 | 0 | 111 | N560 R561 R562 K566 K567 E568 | N560-K564 PolarHBondContact O-N 2.86Å; R561-K564 WeakPolarHBondContact O-CB 3.35Å; R561-K564 PolarHBondContact O-N 3.25Å; R562-K564 VanDerWaalsContact C-N 3.31Å; R562-K564 PolarHBondContact O-N 3.33Å; K564-K566 VanDerWaalsContact C-N 3.32Å; K564-K566 PolarHBondContact O-N 2.99Å; K564-K567 PolarHBondContact O-N 3.18Å; K564-K567 VanDerWaalsContact O-N 3.08Å; K564-E568 WeakPolarHBondContact CE-OE1 3.44Å; K564-E568 HydrophobicContact CG-CG 4.37Å; K564-E568 IonicContact NZ-OE1 3.8Å; K564-E568 PolarHBondContact NZ-OE1 3.2Å; K564-E568 VanDerWaalsContact O-CG 3.3Å; K564-E568 WeakPolarHBondContact O-CG 3.32Å; K564-E568 PolarHBondContact O-N 2.89Å |
| 565 | L | 97.4 | Very high | 95 | Very high | 36 Ų | 36 | 91.6 Ų | 91.6 | 19% | 0.188 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -59.1 | -39.6 | 177 | -178.3 | 63.7 | 0 | 0 | 0 | 112.8 | F529 R561 R562 K567 E568 R569 | F529-L565 HydrophobicContact CE1-CB 4.41Å; F529-L565 HydrophobicContact CE1-CD2 4.13Å; F529-L565 HydrophobicContact CZ-CB 4.23Å; F529-L565 HydrophobicContact CZ-CD2 3.94Å; R561-L565 PolarHBondContact O-N 3.37Å; R562-L565 PolarHBondContact O-N 2.79Å; L565-K567 VanDerWaalsContact C-N 3.34Å; L565-K567 PolarHBondContact O-N 3.14Å; L565-E568 WeakPolarHBondContact CA-OE2 3.22Å; L565-E568 PolarHBondContact N-OE2 3.41Å; L565-E568 PolarHBondContact O-N 2.74Å; L565-R569 HydrophobicContact CD1-CG 4.37Å; L565-R569 WeakPolarHBondContact O-CG 3.48Å; L565-R569 PolarHBondContact O-N 3.29Å |
| 566 | K | 96.7 | Very high | 94.3 | Very high | 147 Ų | 147 | 89.8 Ų | 89.8 | 64% | 0.639 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -58.7 | -43.5 | 173.8 | 179.7 | 170.2 | 177.4 | 168.7 | 0 | 111.9 | R562 M563 K564 Q570 | R562-K566 PolarHBondContact O-N 3.3Å; M563-K566 HydrophobicContact SD-CD 4.47Å; K564-K566 VanDerWaalsContact C-N 3.32Å; K564-K566 PolarHBondContact O-N 2.99Å; K566-Q570 WeakPolarHBondContact O-CB 3.34Å; K566-Q570 PolarHBondContact O-N 3.46Å |
| 567 | K | 95.7 | Very high | 93.5 | Very high | 137 Ų | 137 | 91.9 Ų | 91.9 | 60% | 0.596 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -70.2 | -41.5 | 176.8 | -68.6 | -180 | 179.4 | -169.5 | 0 | 112.4 | M563 K564 L565 R569 Q570 Q571 | M563-K567 WeakPolarHBondContact O-CG 3.37Å; M563-K567 PolarHBondContact O-N 3.35Å; K564-K567 PolarHBondContact O-N 3.18Å; K564-K567 VanDerWaalsContact O-N 3.08Å; L565-K567 VanDerWaalsContact C-N 3.34Å; L565-K567 PolarHBondContact O-N 3.14Å; K567-R569 PolarHBondContact O-N 3.04Å; K567-Q570 PolarHBondContact O-N 3Å; K567-Q571 WeakPolarHBondContact O-CG 3.46Å; K567-Q571 PolarHBondContact O-N 3.24Å |
| 568 | E | 95.2 | Very high | 92.5 | Very high | 56 Ų | 56 | 95.1 Ų | 95.1 | 26% | 0.262 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 177.2 | -70.3 | 167 | 148.3 | 0 | 0 | 111.3 | R561 K564 L565 I572 | R561-E568 IonicContact CZ-OE2 2.67Å; R561-E568 IonicContact NH1-OE2 3.51Å; R561-E568 PolarHBondContact NH1-OE2 3.38Å; R561-E568 IonicContact NH2-OE2 3.17Å; K564-E568 WeakPolarHBondContact CE-OE1 3.44Å; K564-E568 HydrophobicContact CG-CG 4.37Å; K564-E568 IonicContact NZ-OE1 3.8Å; K564-E568 PolarHBondContact NZ-OE1 3.2Å; K564-E568 VanDerWaalsContact O-CG 3.3Å; K564-E568 WeakPolarHBondContact O-CG 3.32Å; K564-E568 PolarHBondContact O-N 2.89Å; L565-E568 WeakPolarHBondContact CA-OE2 3.22Å; L565-E568 PolarHBondContact N-OE2 3.41Å; L565-E568 PolarHBondContact O-N 2.74Å; E568-I572 WeakPolarHBondContact O-CG1 3.19Å; E568-I572 PolarHBondContact O-N 3.19Å |
| 569 | R | 93.3 | Very high | 91.4 | Very high | 159 Ų | 159 | 98.6 Ų | 98.6 | 60% | 0.6 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -64.2 | -38.2 | 174.9 | -73.6 | -179.9 | 173.8 | -163.4 | -3.3 | 113.1 | L565 K567 I572 K573 | L565-R569 HydrophobicContact CD1-CG 4.37Å; L565-R569 WeakPolarHBondContact O-CG 3.48Å; L565-R569 PolarHBondContact O-N 3.29Å; K567-R569 PolarHBondContact O-N 3.04Å; R569-I572 PolarHBondContact O-N 2.81Å; R569-K573 PolarHBondContact O-N 3.2Å |
| 570 | Q | 92.2 | Very high | 90.3 | Very high | 89 Ų | 89 | 97.4 Ų | 97.4 | 42% | 0.416 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.1 | -42.9 | 179.2 | 179.8 | 56.5 | 28.3 | 0 | 0 | 112 | K566 K567 I572 K573 E574 | K566-Q570 WeakPolarHBondContact O-CB 3.34Å; K566-Q570 PolarHBondContact O-N 3.46Å; K567-Q570 PolarHBondContact O-N 3Å; Q570-I572 VanDerWaalsContact C-N 3.27Å; Q570-I572 PolarHBondContact O-N 3.14Å; Q570-K573 WeakPolarHBondContact O-CB 3.41Å; Q570-K573 PolarHBondContact O-N 2.78Å; Q570-K573 VanDerWaalsContact O-N 3.11Å; Q570-E574 VanDerWaalsContact CG-OE1 3.29Å; Q570-E574 WeakPolarHBondContact CG-OE1 3.45Å; Q570-E574 PolarHBondContact NE2-OE1 3.08Å; Q570-E574 WeakPolarHBondContact O-CG 3.38Å; Q570-E574 PolarHBondContact O-N 2.68Å; Q570-E574 VanDerWaalsContact O-N 3.07Å |
| 571 | Q | 90.8 | Very high | 88.8 | Confident | 113 Ų | 113 | 101.3 Ų | 101.3 | 53% | 0.528 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.6 | -33.3 | 175.9 | -72.4 | 173.1 | -10.4 | 0 | 0 | 112.8 | K567 L575 | K567-Q571 WeakPolarHBondContact O-CG 3.46Å; K567-Q571 PolarHBondContact O-N 3.24Å; Q571-L575 VanDerWaalsContact O-CG 3.28Å; Q571-L575 WeakPolarHBondContact O-CG 3.14Å; Q571-L575 PolarHBondContact O-N 3.31Å; Q571-L575 VanDerWaalsContact O-N 3.09Å |
| 572 | I | 90.1 | Very high | 86.9 | Confident | 100 Ų | 100 | 106.3 Ų | 106.3 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.5 | -37.8 | 175.2 | -67.2 | 164.3 | 0 | 0 | 0 | 111.3 | E568 R569 Q570 N576 | E568-I572 WeakPolarHBondContact O-CG1 3.19Å; E568-I572 PolarHBondContact O-N 3.19Å; R569-I572 PolarHBondContact O-N 2.81Å; Q570-I572 VanDerWaalsContact C-N 3.27Å; Q570-I572 PolarHBondContact O-N 3.14Å; I572-N576 WeakPolarHBondContact O-CB 3.44Å; I572-N576 PolarHBondContact O-N 3.34Å; I572-N576 VanDerWaalsContact O-N 3.11Å; I572-N576 PolarHBondContact O-OD1 3.03Å |
| 573 | K | 87.8 | Confident | 85.1 | Confident | 131 Ų | 131 | 106.6 Ų | 106.6 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.5 | -52.3 | 173 | -69.5 | -174.9 | 172.3 | -168.1 | 0 | 110.9 | R569 Q570 L575 N576 D577 | R569-K573 PolarHBondContact O-N 3.2Å; Q570-K573 WeakPolarHBondContact O-CB 3.41Å; Q570-K573 PolarHBondContact O-N 2.78Å; Q570-K573 VanDerWaalsContact O-N 3.11Å; K573-L575 VanDerWaalsContact C-N 3.28Å; K573-L575 PolarHBondContact O-N 3.38Å; K573-N576 PolarHBondContact O-N 3.3Å; K573-D577 VanDerWaalsContact O-CG 3.28Å; K573-D577 PolarHBondContact O-N 3.19Å |
| 574 | E | 86.6 | Confident | 83.3 | Confident | 100 Ų | 100 | 106.9 Ų | 106.9 | 47% | 0.467 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -56.6 | -39.7 | -178.9 | -70.3 | 161 | -175.2 | 0 | 0 | 112.6 | Q570 E578 | Q570-E574 VanDerWaalsContact CG-OE1 3.29Å; Q570-E574 WeakPolarHBondContact CG-OE1 3.45Å; Q570-E574 PolarHBondContact NE2-OE1 3.08Å; Q570-E574 WeakPolarHBondContact O-CG 3.38Å; Q570-E574 PolarHBondContact O-N 2.68Å; Q570-E574 VanDerWaalsContact O-N 3.07Å; E574-E578 WeakPolarHBondContact O-CB 3.43Å; E574-E578 PolarHBondContact O-N 3.28Å; E574-E578 VanDerWaalsContact O-N 3.07Å |
| 575 | L | 86.3 | Confident | 81.4 | Confident | 114 Ų | 114 | 107.3 Ų | 107.3 | 60% | 0.597 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69.8 | -35.5 | 175.1 | -71.1 | 169.4 | 0 | 0 | 0 | 113.3 | Q571 K573 T579 | Q571-L575 VanDerWaalsContact O-CG 3.28Å; Q571-L575 WeakPolarHBondContact O-CG 3.14Å; Q571-L575 PolarHBondContact O-N 3.31Å; Q571-L575 VanDerWaalsContact O-N 3.09Å; K573-L575 VanDerWaalsContact C-N 3.28Å; K573-L575 PolarHBondContact O-N 3.38Å; L575-T579 WeakPolarHBondContact O-CB 3.35Å; L575-T579 PolarHBondContact O-N 2.76Å; L575-T579 PolarHBondContact O-OG1 2.91Å |
| 576 | N | 83.9 | Confident | 79.4 | Confident | 94 Ų | 94 | 112.1 Ų | 112.1 | 50% | 0.503 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -72.5 | -38 | 176.4 | -70.5 | -6.7 | 0 | 0 | 0 | 111.6 | I572 K573 T579 T580 | I572-N576 WeakPolarHBondContact O-CB 3.44Å; I572-N576 PolarHBondContact O-N 3.34Å; I572-N576 VanDerWaalsContact O-N 3.11Å; I572-N576 PolarHBondContact O-OD1 3.03Å; K573-N576 PolarHBondContact O-N 3.3Å; N576-T579 PolarHBondContact O-N 2.89Å; N576-T580 WeakPolarHBondContact O-CB 3.29Å; N576-T580 PolarHBondContact O-N 3.11Å; N576-T580 PolarHBondContact O-OG1 2.96Å |
| 577 | D | 81.6 | Confident | 77.3 | Confident | 90 Ų | 90 | 109.7 Ų | 109.7 | 48% | 0.481 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.8 | -43.3 | 175.5 | -66.4 | -32 | 0 | 0 | 0 | 110.7 | K573 T580 R581 | K573-D577 VanDerWaalsContact O-CG 3.28Å; K573-D577 PolarHBondContact O-N 3.19Å; D577-T580 PolarHBondContact O-N 3.15Å; D577-R581 WeakPolarHBondContact O-CD 3.44Å; D577-R581 VanDerWaalsContact O-CG 3.26Å; D577-R581 WeakPolarHBondContact O-CG 3.46Å; D577-R581 PolarHBondContact O-N 3.35Å |
| 578 | E | 77.4 | Confident | 75.2 | Confident | 96 Ų | 96 | 109.4 Ų | 109.4 | 45% | 0.449 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.6 | -45.3 | 173.8 | -174.9 | 59.4 | -153.3 | 0 | 0 | 111.8 | E574 T580 R581 Q582 | E574-E578 WeakPolarHBondContact O-CB 3.43Å; E574-E578 PolarHBondContact O-N 3.28Å; E574-E578 VanDerWaalsContact O-N 3.07Å; E578-T580 VanDerWaalsContact C-N 3.28Å; E578-T580 PolarHBondContact O-N 3.09Å; E578-R581 PolarHBondContact O-N 3.11Å; E578-Q582 WeakPolarHBondContact O-CG 3.37Å; E578-Q582 PolarHBondContact O-N 2.93Å; E578-Q582 PolarHBondContact OE1-NE2 2.83Å |
| 579 | T | 75.9 | Confident | 73 | Confident | 81 Ų | 81 | 113.7 Ų | 113.7 | 50% | 0.497 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.9 | -36.9 | 176.7 | -55.3 | 0 | 0 | 0 | 0 | 111.9 | L575 N576 Q582 T583 | L575-T579 WeakPolarHBondContact O-CB 3.35Å; L575-T579 PolarHBondContact O-N 2.76Å; L575-T579 PolarHBondContact O-OG1 2.91Å; N576-T579 PolarHBondContact O-N 2.89Å; T579-Q582 PolarHBondContact O-N 3.34Å; T579-T583 WeakPolarHBondContact O-CG2 3.39Å; T579-T583 PolarHBondContact O-N 3.41Å; T579-T583 VanDerWaalsContact O-N 3.08Å; T579-T583 PolarHBondContact O-OG1 2.99Å |
| 580 | T | 73.2 | Confident | 70.7 | Confident | 82 Ų | 82 | 113.9 Ų | 113.9 | 50% | 0.503 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -70.8 | -36.1 | 177.1 | -53.7 | 0 | 0 | 0 | 0 | 111.8 | N576 D577 E578 T583 T584 | N576-T580 WeakPolarHBondContact O-CB 3.29Å; N576-T580 PolarHBondContact O-N 3.11Å; N576-T580 PolarHBondContact O-OG1 2.96Å; D577-T580 PolarHBondContact O-N 3.15Å; E578-T580 VanDerWaalsContact C-N 3.28Å; E578-T580 PolarHBondContact O-N 3.09Å; T580-T583 PolarHBondContact O-OG1 3.5Å; T580-T584 WeakPolarHBondContact O-CG2 3.26Å; T580-T584 PolarHBondContact O-N 2.78Å; T580-T584 PolarHBondContact O-OG1 2.83Å |
| 581 | R | 67 | Low | 68.4 | Low | 173 Ų | 173 | 115.7 Ų | 115.7 | 65% | 0.653 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67.4 | -38.3 | 173.6 | -71.8 | 163.9 | -174.9 | -92.9 | -1.4 | 112.2 | D577 E578 T584 | D577-R581 WeakPolarHBondContact O-CD 3.44Å; D577-R581 VanDerWaalsContact O-CG 3.26Å; D577-R581 WeakPolarHBondContact O-CG 3.46Å; D577-R581 PolarHBondContact O-N 3.35Å; E578-R581 PolarHBondContact O-N 3.11Å; R581-T584 PolarHBondContact O-OG1 3.49Å |
| 582 | Q | 59.8 | Low | 66.2 | Low | 134 Ų | 134 | 121.7 Ų | 121.7 | 63% | 0.626 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -74 | -33 | 178.6 | -67.7 | -178.6 | 18.2 | 0 | 0 | 112.7 | E578 T579 T584 | E578-Q582 WeakPolarHBondContact O-CG 3.37Å; E578-Q582 PolarHBondContact O-N 2.93Å; E578-Q582 PolarHBondContact OE1-NE2 2.83Å; T579-Q582 PolarHBondContact O-N 3.34Å; Q582-T584 VanDerWaalsContact C-N 3.31Å; Q582-T584 PolarHBondContact O-N 3.06Å |
| 583 | T | 61.2 | Low | 63.9 | Low | 102 Ų | 102 | 128.1 Ų | 128.1 | 63% | 0.626 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | 1.2 | -179.6 | 47.7 | 0 | 0 | 0 | 0 | 115.1 | T579 T580 | T579-T583 WeakPolarHBondContact O-CG2 3.39Å; T579-T583 PolarHBondContact O-N 3.41Å; T579-T583 VanDerWaalsContact O-N 3.08Å; T579-T583 PolarHBondContact O-OG1 2.99Å; T580-T583 PolarHBondContact O-OG1 3.5Å |
| 584 | T | 59.9 | Low | 62 | Low | 105 Ų | 105 | 130.6 Ų | 130.6 | 64% | 0.644 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | 8.8 | 179.4 | 44.1 | 0 | 0 | 0 | 0 | 114.2 | T580 R581 Q582 | T580-T584 WeakPolarHBondContact O-CG2 3.26Å; T580-T584 PolarHBondContact O-N 2.78Å; T580-T584 PolarHBondContact O-OG1 2.83Å; R581-T584 PolarHBondContact O-OG1 3.49Å; Q582-T584 VanDerWaalsContact C-N 3.31Å; Q582-T584 PolarHBondContact O-N 3.06Å |
| 585 | V | 57.8 | Low | 59.9 | Low | 114 Ų | 114 | 135 Ų | 135 | 69% | 0.691 | 68% | 0.683 | S | S | * | * | | | trans | -125.6 | 40.4 | -178.5 | -158 | 0 | 0 | 0 | 0 | 112.5 | P587 | V585-P587 VanDerWaalsContact O-CD 3.28Å; V585-P587 WeakPolarHBondContact O-CD 3.38Å |
| 586 | D | 54.7 | Low | 57.6 | Low | 138 Ų | 138 | 133.6 Ų | 133.6 | 74% | 0.738 | 70% | 0.695 | S | S | * | * | | | trans | -90.1 | 108.5 | 165 | -109 | -34.3 | 0 | 0 | 0 | 109.9 | V588 | D586-V588 VanDerWaalsContact C-N 3.31Å; D586-V588 HydrophobicContact CB-CG2 4.32Å; D586-V588 PolarHBondContact O-N 2.88Å |
| 587 | P | 53.7 | Low | 55.7 | Low | 95 Ų | 95 | 134.9 Ų | 134.9 | 62% | 0.617 | 71% | 0.712 | S | S | * | * | | | trans | -78.5 | 79.9 | 178.3 | 32.5 | -35.1 | 0 | 0 | 0 | 110.5 | V585 H589 | V585-P587 VanDerWaalsContact O-CD 3.28Å; V585-P587 WeakPolarHBondContact O-CD 3.38Å; P587-H589 PolarHBondContact O-N 3.08Å |
| 588 | V | 51.6 | Low | 53.9 | Low | 132 Ų | 132 | 135.8 Ų | 135.8 | 80% | 0.8 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 65.6 | 177.9 | -169.1 | 0 | 0 | 0 | 0 | 111.5 | D586 | D586-V588 VanDerWaalsContact C-N 3.31Å; D586-V588 HydrophobicContact CB-CG2 4.32Å; D586-V588 PolarHBondContact O-N 2.88Å |
| 589 | H | 48.9 | Very low | 52.3 | Low | 146 Ų | 146 | 139.9 Ų | 139.9 | 68% | 0.676 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.3 | 5.4 | -178.2 | -137.7 | -76.4 | 0 | 0 | 0 | 115.9 | P587 | P587-H589 PolarHBondContact O-N 3.08Š|
| 590 | H | 44.9 | Very low | 50.6 | Low | 163 Ų | 163 | 145.1 Ų | 145.1 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -124.2 | 50.4 | -172.8 | -70.7 | 97.8 | 0 | 0 | 0 | 114.9 | | |
| 591 | S | 43.3 | Very low | 49 | Very low | 126 Ų | 126 | 152.1 Ų | 152.1 | 88% | 0.881 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -157.2 | 13.9 | 165.1 | -88.6 | 0 | 0 | 0 | 0 | 116.8 | | |
| 592 | R | 43.9 | Very low | 47.8 | Very low | 240 Ų | 240 | 151.6 Ų | 151.6 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | | | trans | -140.6 | 53.4 | 179.3 | -146.8 | 174.3 | -153.2 | -133.9 | 1.4 | 116.3 | | |
| 593 | R | 43.2 | Very low | 46.9 | Very low | 234 Ų | 234 | 154.1 Ų | 154.1 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | | | trans | -138.4 | 53.8 | 160.1 | -68.2 | -163.5 | -174.6 | -154 | 4 | 112.6 | | |
| 594 | Q | 46.6 | Very low | 46 | Very low | 184 Ų | 184 | 157.4 Ų | 157.4 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | | | trans | -102.2 | 157.2 | 146.5 | -69.3 | -173.5 | 3.1 | 0 | 0 | 107.8 | | |
| 595 | M | 43.4 | Very low | 45.3 | Very low | 193 Ų | 193 | 160.5 Ų | 160.5 | 95% | 0.951 | 82% | 0.815 | S | S | * | * | S | Bend | trans | 65 | 90.1 | -163.2 | -51.7 | -54.8 | -156.2 | 0 | 0 | 113.3 | | |
| 596 | G | 38.3 | Very low | 44.5 | Very low | 84 Ų | 84 | 162.5 Ų | 162.5 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | | | trans | -176.3 | 35 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 597 | S | 43.1 | Very low | 43.8 | Very low | 121 Ų | 121 | 160.3 Ų | 160.3 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | | | trans | -149.2 | 56 | -176.7 | -175.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 598 | S | 44.1 | Very low | 43.3 | Very low | 109 Ų | 109 | 162.5 Ų | 162.5 | 76% | 0.762 | 82% | 0.824 | S | S | * | * | | | trans | -155.7 | 42.6 | 172.4 | -170.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 599 | H | 44 | Very low | 42.9 | Very low | 181 Ų | 181 | 163.1 Ų | 163.1 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | | | trans | -137.5 | 85.4 | 168.8 | -80.4 | -76.9 | 0 | 0 | 0 | 111.4 | | |
| 600 | Q | 40.6 | Very low | 42.6 | Very low | 191 Ų | 191 | 162.2 Ų | 162.2 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -129 | 10.2 | 164.7 | -83.7 | -140.3 | -52.4 | 0 | 0 | 113.1 | | |
| 601 | Y | 38.2 | Very low | 42.4 | Very low | 229 Ų | 229 | 161.6 Ų | 161.6 | 90% | 0.898 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -138.2 | 48.9 | -177.5 | -92.3 | -88.3 | 0 | 0 | 0 | 111.8 | | |
| 602 | F | 41.7 | Very low | 42.2 | Very low | 162 Ų | 162 | 159.9 Ų | 159.9 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | | | trans | -157.2 | 42.1 | 160.4 | -138.5 | -89.7 | 0 | 0 | 0 | 113.9 | | |
| 603 | E | 41.6 | Very low | 41.8 | Very low | 187 Ų | 187 | 156.7 Ų | 156.7 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | | | trans | -85.5 | 156.7 | 145 | -73 | -171.2 | 127 | 0 | 0 | 107.9 | | |
| 604 | M | 43.2 | Very low | 41.5 | Very low | 172 Ų | 172 | 154.1 Ų | 154.1 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | S | Bend | trans | 78.8 | 134.8 | -162.8 | -48.1 | 178.7 | -175.4 | 0 | 0 | 114.2 | | |
| 605 | M | 45 | Very low | 40.9 | Very low | 169 Ų | 169 | 150 Ų | 150 | 83% | 0.833 | 79% | 0.786 | S | S | * | * | | | trans | 66 | 71.2 | 176.2 | -49.7 | -160.2 | -163.8 | 0 | 0 | 118 | | |
| 606 | N | 39.6 | Very low | 40.5 | Very low | 157 Ų | 157 | 146.8 Ų | 146.8 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | | | | -151.3 | 137.9 | 108.5 | -148.8 | -4 | 0 | 0 | 0 | 112 | | |
| 607 | S | 41.1 | Very low | 40.4 | Very low | 91 Ų | 91 | 148.8 Ų | 148.8 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | | | trans | -146.4 | 161.8 | 176 | -62.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 608 | N | 43.8 | Very low | 40.2 | Very low | 142 Ų | 142 | 148.4 Ų | 148.4 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | | | trans | 77.2 | 104.6 | 173.3 | -42.8 | -34.2 | 0 | 0 | 0 | 115.7 | | |
| 609 | N | 42.5 | Very low | 39.7 | Very low | 145 Ų | 145 | 150.9 Ų | 150.9 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | | | | 158.7 | 140.2 | 125.7 | -82.1 | -27.6 | 0 | 0 | 0 | 110.8 | | |
| 610 | N | 42.3 | Very low | 39.5 | Very low | 126 Ų | 126 | 148.3 Ų | 148.3 | 67% | 0.674 | 77% | 0.774 | S | S | * | * | | | cis | -166.3 | 162.4 | -25.8 | -128.1 | -8.9 | 0 | 0 | 0 | 108.8 | | |
| 611 | N | 40 | Very low | 39.4 | Very low | 150 Ų | 150 | 144 Ų | 144 | 80% | 0.802 | 77% | 0.765 | S | S | * | * | | | trans | 66.1 | 159.5 | 168 | -62.6 | -16.2 | 0 | 0 | 0 | 116.2 | | |
| 612 | S | 39.6 | Very low | 39.2 | Very low | 90 Ų | 90 | 140.5 Ų | 140.5 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | | | cis | 171.2 | 143.5 | -17.4 | 176.3 | 0 | 0 | 0 | 0 | 105.6 | | |
| 613 | Y | 36.5 | Very low | 39.2 | Very low | 174 Ų | 174 | 139.3 Ų | 139.3 | 68% | 0.682 | 76% | 0.761 | S | S | * | * | | | cis | -161.4 | 156 | 3.2 | -117.4 | -174.9 | 0 | 0 | 0 | 109 | | |
| 614 | Y | 37.1 | Very low | 38.9 | Very low | 179 Ų | 179 | 136.8 Ų | 136.8 | 70% | 0.702 | 75% | 0.753 | S | S | * | * | | | trans | 59.8 | 137.7 | 163.1 | -54.9 | -49 | 0 | 0 | 0 | 118.8 | | |
| 615 | S | 32.4 | Very low | 38.8 | Very low | 99 Ų | 99 | 134.9 Ų | 134.9 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | | | cis | 76.6 | 135.2 | 41.2 | -50.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 616 | T | 36.4 | Very low | 38.6 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 77% | 0.767 | 75% | 0.754 | S | S | * | * | | | cis | -157.5 | 163.7 | 10.5 | -9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 617 | T | 35 | Very low | 38.6 | Very low | 125 Ų | 125 | 134.2 Ų | 134.2 | 77% | 0.767 | 75% | 0.748 | S | S | * | * | | | trans | -26.8 | 143.4 | 163.6 | 52.7 | 0 | 0 | 0 | 0 | 120.1 | | |
| 618 | S | 39.9 | Very low | 38.5 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | | | | 174.9 | 138.3 | 115.8 | 58.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 619 | N | 32.4 | Very low | 38.2 | Very low | 161 Ų | 161 | 136.9 Ų | 136.9 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | | | trans | -83.1 | 159.6 | 159.2 | -72 | -25.9 | 0 | 0 | 0 | 110.2 | | |
| 620 | P | 41.1 | Very low | 37.9 | Very low | 127 Ų | 127 | 137.8 Ų | 137.8 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | | | | -137.9 | 171.2 | 109 | 38.9 | -28.9 | 0 | 0 | 0 | 114.7 | | |
| 621 | S | 37.1 | Very low | 37.7 | Very low | 99 Ų | 99 | 140.2 Ų | 140.2 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | | | trans | -97.7 | -171 | 174.2 | 52.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 622 | I | 35.8 | Very low | 37.5 | Very low | 156 Ų | 156 | 138.7 Ų | 138.7 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | | | trans | 76.1 | 134.7 | 170.7 | -59.8 | 166.6 | 0 | 0 | 0 | 113.5 | | |
| 623 | L | 41.4 | Very low | 37.4 | Very low | 138 Ų | 138 | 140.7 Ų | 140.7 | 72% | 0.723 | 78% | 0.78 | S | S | * | * | | | cis | -163.4 | 169.7 | -22.9 | -157.5 | 75.8 | 0 | 0 | 0 | 107.8 | | |
| 624 | D | 35.9 | Very low | 37.8 | Very low | 134 Ų | 134 | 140.7 Ų | 140.7 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | | | trans | 4.5 | 119.3 | 162 | -56 | -29.1 | 0 | 0 | 0 | 119.9 | | |
| 625 | S | 40 | Very low | 38.4 | Very low | 131 Ų | 131 | 138.5 Ų | 138.5 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | | | | -167.8 | 165.3 | 120.9 | -85.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 626 | K | 40.1 | Very low | 38.5 | Very low | 181 Ų | 181 | 141.9 Ų | 141.9 | 79% | 0.787 | 80% | 0.801 | S | S | * | * | | | trans | -118.1 | 167 | -169.5 | -144 | -177.4 | -178.8 | 178.3 | 0 | 111.6 | | |
| 627 | D | 40.2 | Very low | 38.6 | Very low | 132 Ų | 132 | 141 Ų | 141 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | | | trans | 75.6 | 155.3 | 162.1 | -50.5 | -38.4 | 0 | 0 | 0 | 118.3 | | |
| 628 | N | 39.6 | Very low | 38.5 | Very low | 154 Ų | 154 | 142.6 Ų | 142.6 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | | | trans | 59.3 | 99.4 | 177 | -63.7 | -16.6 | 0 | 0 | 0 | 118.7 | | |
| 629 | C | 36.3 | Very low | 38.2 | Very low | 134 Ų | 134 | 144.9 Ų | 144.9 | 91% | 0.905 | 80% | 0.8 | S | S | * | * | | | | -172.2 | 130.7 | 99.6 | -99.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 630 | Q | 35.8 | Very low | 38.7 | Very low | 165 Ų | 165 | 145.7 Ų | 145.7 | 77% | 0.771 | 80% | 0.796 | S | S | * | * | | | trans | -87.9 | 124.1 | -178 | 176.5 | -178.1 | -3.9 | 0 | 0 | 111.5 | D632 | Q630-D632 PolarHBondContact NE2-OD2 3.04Å; Q630-D632 VanDerWaalsContact NE2-OD2 3.16Å |
| 631 | L | 39.8 | Very low | 38.4 | Very low | 176 Ų | 176 | 148.9 Ų | 148.9 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | | | trans | -139.4 | 113 | 157.6 | -76.2 | 179.3 | 0 | 0 | 0 | 110 | | |
| 632 | D | 35.8 | Very low | 38.6 | Very low | 118 Ų | 118 | 150.3 Ų | 150.3 | 63% | 0.631 | 81% | 0.807 | S | S | * | * | | | trans | -66.6 | 138.9 | 172.3 | -83.6 | -92.6 | 0 | 0 | 0 | 112.1 | Q630 | Q630-D632 PolarHBondContact NE2-OD2 3.04Å; Q630-D632 VanDerWaalsContact NE2-OD2 3.16Å |
| 633 | C | 36.1 | Very low | 38.7 | Very low | 132 Ų | 132 | 146.1 Ų | 146.1 | 89% | 0.892 | 80% | 0.802 | S | S | * | * | | | trans | -166.2 | 142.1 | 130.5 | -112.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 634 | K | 46.5 | Very low | 38.7 | Very low | 175 Ų | 175 | 148.1 Ų | 148.1 | 76% | 0.761 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 147.7 | -175.6 | -64.5 | 163.4 | -176.8 | 168.2 | 0 | 111.1 | L636 | K634-L636 PolarHBondContact O-N 3.42Š|
| 635 | P | 48.9 | Very low | 38.7 | Very low | 133 Ų | 133 | 148.4 Ų | 148.4 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 121.9 | 164 | 27.6 | -32.6 | 0 | 0 | 0 | 109.6 | | |
| 636 | L | 35 | Very low | 38.8 | Very low | 170 Ų | 170 | 148.3 Ų | 148.3 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 140.1 | 178.9 | -82.1 | 160 | 0 | 0 | 0 | 111.5 | K634 | K634-L636 PolarHBondContact O-N 3.42Š|
| 637 | S | 37 | Very low | 38.7 | Very low | 106 Ų | 106 | 148.1 Ų | 148.1 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 169 | 172.5 | -56.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 638 | L | 33.8 | Very low | 38.6 | Very low | 158 Ų | 158 | 149.4 Ų | 149.4 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | | | trans | 77.9 | 151.9 | 167.1 | -69.8 | 152.5 | 0 | 0 | 0 | 118 | | |
| 639 | H | 34.1 | Very low | 38.5 | Very low | 163 Ų | 163 | 149.1 Ų | 149.1 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | | | trans | 80.5 | 138 | -172.4 | -55.8 | 92.8 | 0 | 0 | 0 | 114.5 | | |
| 640 | K | 41.6 | Very low | 38.5 | Very low | 178 Ų | 178 | 146.3 Ų | 146.3 | 77% | 0.774 | 79% | 0.794 | S | S | * | * | | | cis | -135.4 | 145.5 | -3.5 | -92.3 | 125.1 | -172.9 | 175.5 | 0 | 107.3 | | |
| 641 | K | 36.4 | Very low | 38.6 | Very low | 193 Ų | 193 | 145.5 Ų | 145.5 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | | | | 79 | 135.2 | 59.3 | -153.5 | 179.6 | -171.8 | 179.7 | 0 | 112.3 | | |
| 642 | S | 40.2 | Very low | 38.5 | Very low | 129 Ų | 129 | 143.9 Ų | 143.9 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | | | trans | 75.1 | 145.4 | -171.9 | 77.1 | 0 | 0 | 0 | 0 | 116.2 | | |
| 643 | G | 38.7 | Very low | 38.6 | Very low | 68 Ų | 68 | 145.2 Ų | 145.2 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | | | cis | 168.1 | 169.3 | -13.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 644 | L | 40 | Very low | 38.7 | Very low | 180 Ų | 180 | 146.4 Ų | 146.4 | 94% | 0.942 | 79% | 0.785 | S | S | * | * | | | trans | 80 | 157 | 166.8 | -53.3 | 179.1 | 0 | 0 | 0 | 118.9 | | |
| 645 | I | 37.3 | Very low | 38.3 | Very low | 140 Ų | 140 | 141.6 Ų | 141.6 | 72% | 0.718 | 77% | 0.774 | S | S | * | * | | | trans | -134.9 | 151.7 | -166.5 | -44.8 | 171.1 | 0 | 0 | 0 | 106.8 | K647 | I645-K647 HydrophobicContact CG2-CG 4.3Š|
| 646 | P | 41.4 | Very low | 37.9 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 84% | 0.844 | 77% | 0.77 | S | S | * | * | | | | -122 | 141 | 129.8 | -3.9 | 24.5 | 0 | 0 | 0 | 113.8 | | |
| 647 | K | 39.1 | Very low | 38.4 | Very low | 177 Ų | 177 | 139.5 Ų | 139.5 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | | | trans | -103.8 | -170.1 | 160.4 | -74.5 | -175.7 | 173.3 | -177.5 | 0 | 108.2 | I645 | I645-K647 HydrophobicContact CG2-CG 4.3Š|
| 648 | L | 36.4 | Very low | 38.6 | Very low | 158 Ų | 158 | 141.8 Ų | 141.8 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | | | trans | 79 | 141.4 | 171.6 | -41.1 | -177.9 | 0 | 0 | 0 | 112.1 | | |
| 649 | L | 37.9 | Very low | 39 | Very low | 149 Ų | 149 | 141 Ų | 141 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | | | cis | -153.3 | 175.1 | -5.5 | -141.5 | 71.7 | 0 | 0 | 0 | 106 | | |
| 650 | S | 37.4 | Very low | 39.2 | Very low | 75 Ų | 75 | 139.2 Ų | 139.2 | 52% | 0.524 | 76% | 0.76 | S | S | . | * | | | cis | -164.7 | 175.3 | 8.5 | -160.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 651 | N | 37.7 | Very low | 39.1 | Very low | 148 Ų | 148 | 134.8 Ų | 134.8 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | | | trans | 78.1 | 149.6 | 154.4 | -49 | -29.6 | 0 | 0 | 0 | 120.1 | | |
| 652 | N | 36 | Very low | 39.2 | Very low | 141 Ų | 141 | 128.9 Ų | 128.9 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | | | cis | -170.1 | 175 | -43.2 | -162 | 6.7 | 0 | 0 | 0 | 108.2 | | |
| 653 | I | 38.6 | Very low | 39.1 | Very low | 146 Ų | 146 | 131.9 Ų | 131.9 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | | | trans | 74.2 | 125.2 | 166.4 | -56.1 | 166.2 | 0 | 0 | 0 | 113.3 | | |
| 654 | Q | 37.9 | Very low | 39.3 | Very low | 158 Ų | 158 | 135.7 Ų | 135.7 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | | | cis | -155.5 | 176.3 | -7.2 | -178.7 | 55.4 | 28 | 0 | 0 | 109.4 | | |
| 655 | S | 39.5 | Very low | 39.6 | Very low | 74 Ų | 74 | 132.3 Ų | 132.3 | 52% | 0.517 | 75% | 0.749 | S | S | . | * | | | trans | -53.9 | 169.1 | -176.6 | 62.1 | 0 | 0 | 0 | 0 | 116.2 | | |
| 656 | D | 39.4 | Very low | 39.5 | Very low | 148 Ų | 148 | 131 Ų | 131 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | | | cis | -141.9 | 156.4 | 38.3 | -59.4 | -49.2 | 0 | 0 | 0 | 116.2 | | |
| 657 | P | 46.7 | Very low | 39.7 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | | | trans | -113.3 | 159.6 | 172.9 | 40.2 | -31.6 | 0 | 0 | 0 | 114.3 | | |
| 658 | I | 40.4 | Very low | 39.5 | Very low | 154 Ų | 154 | 128.7 Ų | 128.7 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | | | trans | -165.4 | 124.2 | 154.6 | -112 | 157.2 | 0 | 0 | 0 | 113.5 | | |
| 659 | I | 41.3 | Very low | 39.8 | Very low | 142 Ų | 142 | 133 Ų | 133 | 73% | 0.728 | 76% | 0.761 | S | S | * | * | | | trans | 48.8 | 134.5 | 136.6 | -61.5 | 175.7 | 0 | 0 | 0 | 120.2 | | |
| 660 | T | 39.5 | Very low | 39.7 | Very low | 124 Ų | 124 | 129.3 Ų | 129.3 | 76% | 0.761 | 76% | 0.758 | S | S | * | * | | | cis | -169 | 146.9 | -12.2 | 31.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 661 | G | 39.3 | Very low | 39.9 | Very low | 86 Ų | 86 | 134.3 Ų | 134.3 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | | | trans | 66.4 | 146.3 | 146 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 662 | G | 39.1 | Very low | 39.8 | Very low | 69 Ų | 69 | 136.7 Ų | 136.7 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | | | cis | 171.5 | 177.5 | -7 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 663 | F | 38 | Very low | 40 | Very low | 191 Ų | 191 | 135.9 Ų | 135.9 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | | | trans | 73.7 | 90.5 | 161.8 | -74.7 | -90.9 | 0 | 0 | 0 | 122.8 | | |
| 664 | L | 43 | Very low | 39.8 | Very low | 149 Ų | 149 | 133 Ų | 133 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | | | | 71.5 | 157.1 | 114.7 | -69.9 | -166.5 | 0 | 0 | 0 | 121.7 | | |
| 665 | P | 45 | Very low | 40.1 | Very low | 108 Ų | 108 | 132.5 Ų | 132.5 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | | | trans | -142.3 | -177.2 | -131.6 | 46.8 | -29.4 | 0 | 0 | 0 | 117.7 | | |
| 666 | S | 36.3 | Very low | 40 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | | | trans | 58.8 | 119.4 | 142.7 | -162.9 | 0 | 0 | 0 | 0 | 120.3 | | |
| 667 | A | 44.6 | Very low | 40 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | | | trans | -136.4 | 129.1 | 155.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 668 | N | 36.4 | Very low | 40.1 | Very low | 153 Ų | 153 | 138 Ų | 138 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | -125.3 | 120 | -175.1 | -163.5 | 3.9 | 0 | 0 | 0 | 109.7 | | |
| 669 | R | 41 | Very low | 40 | Very low | 249 Ų | 249 | 133.8 Ų | 133.8 | 94% | 0.94 | 81% | 0.806 | S | S | * | * | | | trans | -147.5 | 117.7 | 170 | -73.5 | -166.2 | 179.4 | -168.4 | 0.6 | 109.6 | | |
| 670 | G | 36 | Very low | 40.3 | Very low | 70 Ų | 70 | 132.6 Ų | 132.6 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | | | trans | -100 | 160.1 | 166 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 671 | L | 42.5 | Very low | 40.5 | Very low | 181 Ų | 181 | 135.5 Ų | 135.5 | 95% | 0.948 | 82% | 0.816 | S | S | * | * | | | trans | -131.2 | 143 | 159.2 | -78.1 | 176.7 | 0 | 0 | 0 | 108.7 | | |
| 672 | Q | 35.9 | Very low | 40.5 | Very low | 198 Ų | 198 | 135.3 Ų | 135.3 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | | | trans | -100 | 145.7 | 176.7 | -61.9 | 167.1 | 4.5 | 0 | 0 | 108.9 | | |
| 673 | S | 39 | Very low | 40.5 | Very low | 124 Ų | 124 | 135.2 Ų | 135.2 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | | | trans | -150.9 | 140.5 | 143.5 | -165 | 0 | 0 | 0 | 0 | 108.6 | | |
| 674 | A | 36.2 | Very low | 40.7 | Very low | 86 Ų | 86 | 135.2 Ų | 135.2 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | | | trans | -120.3 | 142.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 675 | V | 42.6 | Very low | 40.6 | Very low | 147 Ų | 147 | 131.2 Ų | 131.2 | 89% | 0.891 | 82% | 0.815 | S | S | * | * | | | trans | -125.4 | 119.9 | 163.6 | -177.6 | 0 | 0 | 0 | 0 | 107.2 | | |
| 676 | S | 38.9 | Very low | 40.5 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 67% | 0.671 | 83% | 0.826 | S | S | * | * | | | trans | -111.5 | 152.7 | 169.3 | -53 | 0 | 0 | 0 | 0 | 108.4 | | |
| 677 | Y | 39 | Very low | 40.9 | Very low | 230 Ų | 230 | 133.2 Ų | 133.2 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | | | | -169.8 | 149.7 | 118.6 | -107.5 | -78.1 | 0 | 0 | 0 | 109.6 | | |
| 678 | P | 48.6 | Very low | 40.7 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | | | trans | -124.3 | 169.4 | -169.5 | 40.6 | -26 | 0 | 0 | 0 | 115.8 | | |
| 679 | G | 39.1 | Very low | 41.2 | Very low | 65 Ų | 65 | 133.6 Ų | 133.6 | 67% | 0.67 | 82% | 0.815 | S | S | * | * | | | trans | -158.6 | 139 | 158.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 680 | S | 46.7 | Very low | 41.5 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | | | | 64.1 | 129.4 | 51.7 | -78.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 681 | Q | 43.4 | Very low | 42.1 | Very low | 186 Ų | 186 | 134.4 Ų | 134.4 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | | | cis | -162.6 | 154 | -1.1 | -141.8 | 179.3 | 22.4 | 0 | 0 | 112 | | |
| 682 | G | 38.6 | Very low | 42.6 | Very low | 82 Ų | 82 | 131.5 Ų | 131.5 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | | | trans | 77.5 | 161.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 683 | G | 39.6 | Very low | 43.7 | Very low | 67 Ų | 67 | 130.3 Ų | 130.3 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | | | cis | 152.8 | 149.4 | -4.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 684 | L | 41.8 | Very low | 44.6 | Very low | 190 Ų | 190 | 129 Ų | 129 | 100% | 0.995 | 79% | 0.792 | S | S | * | * | | | trans | 71.5 | 147.8 | -172.4 | -45.8 | 173.1 | 0 | 0 | 0 | 114.2 | | |
| 685 | G | 41.7 | Very low | 45.7 | Very low | 66 Ų | 66 | 133.3 Ų | 133.3 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | | | cis | 157.6 | 33.7 | -7.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 686 | Q | 43.2 | Very low | 46 | Very low | 200 Ų | 200 | 132.9 Ų | 132.9 | 94% | 0.935 | 79% | 0.792 | S | S | * | * | | | trans | -156.2 | 162.2 | 176.3 | -96.9 | 146.5 | 19.6 | 0 | 0 | 108.7 | | |
| 687 | G | 44 | Very low | 46.7 | Very low | 62 Ų | 62 | 132.3 Ų | 132.3 | 64% | 0.639 | 79% | 0.788 | S | S | * | * | | | cis | 153.3 | 75.5 | -3.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 688 | D | 40.5 | Very low | 47.2 | Very low | 163 Ų | 163 | 129.5 Ų | 129.5 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | | | trans | 63 | 162 | 166.4 | -56.4 | -47.7 | 0 | 0 | 0 | 119.4 | | |
| 689 | S | 46.9 | Very low | 47.6 | Very low | 105 Ų | 105 | 130.5 Ų | 130.5 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | trans | 52.3 | 96.4 | 174.6 | 51.2 | 0 | 0 | 0 | 0 | 118.6 | | |
| 690 | E | 47.7 | Very low | 48.3 | Very low | 190 Ų | 190 | 133.6 Ų | 133.6 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | | | trans | -99.2 | 80 | 143.3 | -79.1 | -172.1 | -171 | 0 | 0 | 109.1 | C692 | E690-C692 PolarHBondContact O-N 2.7Š|
| 691 | D | 49.1 | Very low | 48.8 | Very low | 145 Ų | 145 | 135.9 Ų | 135.9 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | | | trans | -70 | 115.7 | 153.7 | -89 | -57.9 | 0 | 0 | 0 | 107.1 | E693 | D691-E693 VanDerWaalsContact C-N 3.3Å; D691-E693 PolarHBondContact O-N 3.17Å |
| 692 | C | 52.1 | Low | 49.6 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | | | trans | -71 | 87.7 | 177.7 | -62 | 0 | 0 | 0 | 0 | 110.1 | E690 | E690-C692 PolarHBondContact O-N 2.7Š|
| 693 | E | 58.3 | Low | 50.5 | Low | 173 Ų | 173 | 139.8 Ų | 139.8 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | | | trans | -54.5 | 145.1 | 171.8 | -67.2 | -139.6 | 128.1 | 0 | 0 | 111.4 | D691 M695 | D691-E693 VanDerWaalsContact C-N 3.3Å; D691-E693 PolarHBondContact O-N 3.17Å; E693-M695 PolarHBondContact O-N 2.84Å |
| 694 | P | 59.4 | Low | 51 | Low | 97 Ų | 97 | 144.5 Ų | 144.5 | 63% | 0.63 | 79% | 0.792 | S | S | * | * | | | trans | -69 | 123.7 | 175.5 | 29.1 | -32.6 | 0 | 0 | 0 | 110.1 | D696 | P694-D696 HydrophobicContact CB-CB 4.49Å; P694-D696 PolarHBondContact O-N 3.41Å |
| 695 | M | 59.3 | Low | 51.6 | Low | 177 Ų | 177 | 142.5 Ų | 142.5 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | | | trans | -69.9 | 64 | 158.3 | -84.5 | -89.3 | -170.1 | 0 | 0 | 109.8 | E693 S697 | E693-M695 PolarHBondContact O-N 2.84Å; M695-S697 VanDerWaalsContact C-N 3.3Å |
| 696 | D | 49.1 | Very low | 51.9 | Low | 137 Ų | 137 | 146.8 Ų | 146.8 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | | | trans | -96.7 | 62.4 | 161.2 | -72.8 | -44.4 | 0 | 0 | 0 | 107 | P694 | P694-D696 HydrophobicContact CB-CB 4.49Å; P694-D696 PolarHBondContact O-N 3.41Å |
| 697 | S | 52 | Low | 52.1 | Low | 85 Ų | 85 | 141.9 Ų | 141.9 | 59% | 0.594 | 77% | 0.769 | S | S | * | * | | | trans | -80.8 | 119.2 | 169.2 | 56.1 | 0 | 0 | 0 | 0 | 109.1 | M695 D699 | M695-S697 VanDerWaalsContact C-N 3.3Å; S697-D699 PolarHBondContact O-N 3.05Å; S697-D699 VanDerWaalsContact O-N 3.13Å |
| 698 | E | 49.6 | Very low | 52.3 | Low | 170 Ų | 170 | 146 Ų | 146 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | | | trans | -77.5 | 94.3 | -175.1 | -67.7 | 162.2 | 145.6 | 0 | 0 | 110.7 | D700 | E698-D700 PolarHBondContact O-N 2.95Å; E698-D700 VanDerWaalsContact O-N 3.16Å |
| 699 | D | 56.6 | Low | 52.5 | Low | 144 Ų | 144 | 143 Ų | 143 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | | | trans | -78 | 77.9 | 157.5 | -70.6 | -37.7 | 0 | 0 | 0 | 107.9 | S697 D701 | S697-D699 PolarHBondContact O-N 3.05Å; S697-D699 VanDerWaalsContact O-N 3.13Å; D699-D701 VanDerWaalsContact C-N 3.35Å; D699-D701 PolarHBondContact O-N 3.39Å; D699-D701 VanDerWaalsContact O-N 3.11Å |
| 700 | D | 54.3 | Low | 52.8 | Low | 131 Ų | 131 | 145.6 Ų | 145.6 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | | | trans | -74.9 | 88.1 | 167.3 | -81.7 | -41.4 | 0 | 0 | 0 | 109 | E698 E702 | E698-D700 PolarHBondContact O-N 2.95Å; E698-D700 VanDerWaalsContact O-N 3.16Å; D700-E702 PolarHBondContact O-N 2.92Å |
| 701 | D | 58.3 | Low | 52.6 | Low | 164 Ų | 164 | 143.8 Ų | 143.8 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | | | trans | -63.2 | 96.4 | 165.5 | -79 | -40.6 | 0 | 0 | 0 | 108.7 | D699 | D699-D701 VanDerWaalsContact C-N 3.35Å; D699-D701 PolarHBondContact O-N 3.39Å; D699-D701 VanDerWaalsContact O-N 3.11Å |
| 702 | E | 59.4 | Low | 52.6 | Low | 172 Ų | 172 | 144.7 Ų | 144.7 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | -62.3 | 151.1 | 178.8 | -72.4 | -179 | 137.1 | 0 | 0 | 113.6 | D700 | D700-E702 PolarHBondContact O-N 2.92Š|
| 703 | E | 56.6 | Low | 52.2 | Low | 178 Ų | 178 | 147.1 Ų | 147.1 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | | | trans | 39.2 | 111.4 | 154.6 | -61.3 | -169.5 | -179.4 | 0 | 0 | 120.5 | | |
| 704 | D | 52.1 | Low | 51.3 | Low | 165 Ų | 165 | 142 Ų | 142 | 88% | 0.882 | 76% | 0.763 | S | S | * | * | | | trans | -147.1 | 56.9 | 147.6 | -132.5 | -13.4 | 0 | 0 | 0 | 109.1 | F706 | D704-F706 VanDerWaalsContact C-N 3.35Å; D704-F706 PolarHBondContact O-N 3.36Å |
| 705 | D | 52.6 | Low | 50.5 | Low | 148 Ų | 148 | 143.8 Ų | 143.8 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | | | trans | -78.3 | 80.9 | -176.6 | -130.9 | -7.3 | 0 | 0 | 0 | 109.8 | C707 | D705-C707 PolarHBondContact O-N 3.12Š|
| 706 | F | 48 | Very low | 49.7 | Very low | 156 Ų | 156 | 144.8 Ų | 144.8 | 68% | 0.684 | 77% | 0.774 | S | S | * | * | | | trans | -73.2 | 70 | -176.8 | -165 | -104.4 | 0 | 0 | 0 | 112.6 | D704 E708 | D704-F706 VanDerWaalsContact C-N 3.35Å; D704-F706 PolarHBondContact O-N 3.36Å; F706-E708 VanDerWaalsContact C-N 3.29Å; F706-E708 HydrophobicContact CD1-CB 4.12Å; F706-E708 HydrophobicContact CE1-CB 3.6Å; F706-E708 HydrophobicContact CE1-CG 4.19Å; F706-E708 HydrophobicContact CZ-CB 4.05Å; F706-E708 HydrophobicContact CZ-CG 4.31Å; F706-E708 PolarHBondContact O-N 3.29Å |
| 707 | C | 47.8 | Very low | 49.3 | Very low | 98 Ų | 98 | 144.5 Ų | 144.5 | 66% | 0.662 | 78% | 0.776 | S | S | * | * | | | trans | -77.5 | 72.6 | 170.8 | -73.5 | 0 | 0 | 0 | 0 | 111.5 | D705 S709 | D705-C707 PolarHBondContact O-N 3.12Å; C707-S709 PolarHBondContact O-N 3.02Å |
| 708 | E | 49.4 | Very low | 48.7 | Very low | 147 Ų | 147 | 145.3 Ų | 145.3 | 69% | 0.687 | 78% | 0.782 | S | S | * | * | | | trans | -67.7 | 96.1 | 170.9 | -166 | 164.6 | -124.3 | 0 | 0 | 110 | F706 | F706-E708 VanDerWaalsContact C-N 3.29Å; F706-E708 HydrophobicContact CD1-CB 4.12Å; F706-E708 HydrophobicContact CE1-CB 3.6Å; F706-E708 HydrophobicContact CE1-CG 4.19Å; F706-E708 HydrophobicContact CZ-CB 4.05Å; F706-E708 HydrophobicContact CZ-CG 4.31Å; F706-E708 PolarHBondContact O-N 3.29Å |
| 709 | S | 44.5 | Very low | 48.3 | Very low | 101 Ų | 101 | 146.4 Ų | 146.4 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | | | trans | -127.9 | 66 | -178.1 | -64.4 | 0 | 0 | 0 | 0 | 110.1 | C707 D711 | C707-S709 PolarHBondContact O-N 3.02Å; S709-D711 PolarHBondContact O-N 3.37Å |
| 710 | D | 51.9 | Low | 47.4 | Very low | 159 Ų | 159 | 147 Ų | 147 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | | | trans | -71.2 | 93.8 | 171.2 | -92.7 | -11.5 | 0 | 0 | 0 | 110.4 | L712 | D710-L712 PolarHBondContact O-N 3.48Š|
| 711 | D | 45 | Very low | 46.8 | Very low | 153 Ų | 153 | 144.5 Ų | 144.5 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -62.6 | 124.2 | 162.3 | -100.5 | -42.2 | 0 | 0 | 0 | 110.1 | S709 | S709-D711 PolarHBondContact O-N 3.37Š|
| 712 | L | 49 | Very low | 45.9 | Very low | 163 Ų | 163 | 140.2 Ų | 140.2 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | | | trans | -158.7 | 128.7 | 148.8 | -112.2 | 166.6 | 0 | 0 | 0 | 113 | D710 | D710-L712 PolarHBondContact O-N 3.48Š|
| 713 | Q | 43.6 | Very low | 44.9 | Very low | 172 Ų | 172 | 137.4 Ų | 137.4 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | | | trans | -30.8 | 131.9 | 179.4 | -105.6 | 63.1 | 4.1 | 0 | 0 | 117.2 | | |
| 714 | G | 38.3 | Very low | 44 | Very low | 65 Ų | 65 | 136.8 Ų | 136.8 | 67% | 0.67 | 74% | 0.737 | S | S | * | * | | | trans | -70.2 | -175.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 715 | P | 43.4 | Very low | 43.4 | Very low | 135 Ų | 135 | 135.1 Ų | 135.1 | 88% | 0.877 | 73% | 0.728 | S | S | * | * | | | | -133.9 | 175.7 | 94.7 | 39.4 | -31.6 | 0 | 0 | 0 | 114.8 | | |
| 716 | K | 41.5 | Very low | 42.6 | Very low | 198 Ų | 198 | 135.3 Ų | 135.3 | 86% | 0.861 | 73% | 0.729 | S | S | * | * | | | trans | -74.6 | 172.1 | 179.4 | -62.7 | 168.3 | -178.9 | 170.7 | 0 | 112 | | |
| 717 | V | 41.4 | Very low | 42.3 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 79% | 0.788 | 73% | 0.728 | S | S | * | * | | | trans | 96.8 | 77.9 | 164.1 | -165 | 0 | 0 | 0 | 0 | 116.9 | | |
| 718 | S | 39.4 | Very low | 41.7 | Very low | 103 Ų | 103 | 136.4 Ų | 136.4 | 72% | 0.72 | 74% | 0.735 | S | S | * | * | | | | 48.3 | 98 | 118.4 | -47.7 | 0 | 0 | 0 | 0 | 120.6 | | |
| 719 | K | 41.1 | Very low | 41.2 | Very low | 192 Ų | 192 | 135.9 Ų | 135.9 | 84% | 0.835 | 74% | 0.736 | S | S | * | * | | | | 168.8 | 145.8 | 109.3 | -94.1 | 172.1 | -179.7 | -179.3 | 0 | 115 | | |
| 720 | L | 38.2 | Very low | 40.6 | Very low | 157 Ų | 157 | 139.4 Ų | 139.4 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | | | trans | 70.5 | 116.2 | 150 | -68.9 | 164.2 | 0 | 0 | 0 | 121.5 | | |
| 721 | A | 41.4 | Very low | 40 | Very low | 78 Ų | 78 | 143 Ų | 143 | 65% | 0.645 | 75% | 0.746 | S | S | * | * | | | | 50.4 | 141.5 | 121.1 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 722 | H | 40 | Very low | 40.1 | Very low | 74 Ų | 74 | 140.7 Ų | 140.7 | 34% | 0.343 | 74% | 0.737 | S | S | . | * | | | cis | -160.3 | 155.5 | -7.2 | -113.4 | 96.4 | 0 | 0 | 0 | 108.8 | C255 | C255-H722 VanDerWaalsContact CB-CE1 3.42Å; C255-H722 WeakPolarHBondContact CB-CE1 3.32Å; C255-H722 VanDerWaalsContact CB-NE2 3.32Å; C255-H722 WeakPolarHBondContact CB-NE2 3.42Å |
| 723 | E | 38 | Very low | 39.6 | Very low | 113 Ų | 113 | 141 Ų | 141 | 53% | 0.528 | 74% | 0.739 | S | S | . | * | | | trans | 9 | 140.7 | 130.7 | -117 | 170 | 178 | 0 | 0 | 118.5 | | |
| 724 | Y | 38.1 | Very low | 39.6 | Very low | 166 Ų | 166 | 140 Ų | 140 | 65% | 0.651 | 74% | 0.738 | S | S | * | * | | | | -165.5 | 166.5 | 55.3 | -115.4 | -74.4 | 0 | 0 | 0 | 114.6 | | |
| 725 | N | 38.5 | Very low | 39.8 | Very low | 130 Ų | 130 | 145 Ų | 145 | 70% | 0.695 | 75% | 0.749 | S | S | * | * | | | trans | -11 | 147.4 | 159.5 | -64.1 | -12.7 | 0 | 0 | 0 | 119.1 | | |
| 726 | N | 37.1 | Very low | 39.8 | Very low | 151 Ų | 151 | 143.4 Ų | 143.4 | 81% | 0.807 | 74% | 0.74 | S | S | * | * | | | | -163.3 | 159 | 59.2 | -126.3 | -7.7 | 0 | 0 | 0 | 113.2 | | |
| 727 | P | 40.2 | Very low | 40 | Very low | 103 Ų | 103 | 141 Ų | 141 | 67% | 0.669 | 74% | 0.737 | S | S | * | * | | | trans | -99 | 142.6 | -175.6 | 36.7 | -31.4 | 0 | 0 | 0 | 114.3 | | |
| 728 | H | 36.1 | Very low | 40.1 | Very low | 175 Ų | 175 | 148.5 Ų | 148.5 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | | | trans | -166.4 | 148.2 | 152.6 | -120.2 | -90.8 | 0 | 0 | 0 | 112.9 | | |
| 729 | L | 37.8 | Very low | 40.1 | Very low | 136 Ų | 136 | 150.8 Ų | 150.8 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | | | trans | 57.3 | 105.7 | 155.1 | -73.3 | 155.4 | 0 | 0 | 0 | 121.4 | | |
| 730 | M | 33.8 | Very low | 40.1 | Very low | 175 Ų | 175 | 148.6 Ų | 148.6 | 86% | 0.862 | 76% | 0.757 | S | S | * | * | | | | 51.5 | 104.1 | 126.4 | -68.7 | -176.1 | 171 | 0 | 0 | 120.7 | | |
| 731 | R | 38.4 | Very low | 40.2 | Very low | 235 Ų | 235 | 148.1 Ų | 148.1 | 89% | 0.887 | 75% | 0.753 | S | S | * | * | | | trans | -144.6 | 143.8 | 143.3 | -96.8 | -169.8 | 171.7 | 174.3 | -2.9 | 108.6 | | |
| 732 | T | 46.4 | Very low | 40.1 | Very low | 104 Ų | 104 | 152.2 Ų | 152.2 | 64% | 0.638 | 76% | 0.76 | S | S | * | * | | | cis | -160.5 | 131.3 | -22.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 733 | N | 39.3 | Very low | 40.1 | Very low | 168 Ų | 168 | 157.1 Ų | 157.1 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | | | trans | -135.5 | 89.3 | 161.9 | -97 | -16.7 | 0 | 0 | 0 | 108 | | |
| 734 | I | 44.1 | Very low | 40.3 | Very low | 153 Ų | 153 | 160.1 Ų | 160.1 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | | | trans | -121.5 | 108.7 | 165.7 | -64.8 | 172.8 | 0 | 0 | 0 | 105.4 | | |
| 735 | L | 42.1 | Very low | 40.4 | Very low | 170 Ų | 170 | 159.6 Ų | 159.6 | 89% | 0.89 | 81% | 0.814 | S | S | * | * | | | trans | -138.3 | 83.3 | 175.3 | -169.3 | 82.6 | 0 | 0 | 0 | 108.3 | | |
| 736 | S | 43.2 | Very low | 40.6 | Very low | 100 Ų | 100 | 161.9 Ų | 161.9 | 70% | 0.699 | 82% | 0.823 | S | S | * | * | | | trans | -167.4 | 149.7 | 167 | -92.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 737 | D | 45.3 | Very low | 40.9 | Very low | 149 Ų | 149 | 162.8 Ų | 162.8 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | | | trans | 62.1 | 63.6 | 155.3 | -56.5 | -3.6 | 0 | 0 | 0 | 119.7 | | |
| 738 | K | 43.8 | Very low | 40.9 | Very low | 286 Ų | 286 | 168.3 Ų | 168.3 | 100% | 1.243 | 84% | 0.838 | S | S | * | * | | | | -173.7 | 0 | 104.7 | -100.6 | 171.6 | -175.8 | 176.6 | 0 | 114.5 | | |