| 1 | M | 49.1 | Very low | 41 | Very low | 245 Ų | 245 | 156.5 Ų | 156.5 | 100% | 1.207 | 83% | 0.831 | S | S | * | * | | | | 0 | 113.7 | 0 | -62.6 | -63.5 | -83.3 | 0 | 0 | 106.6 | | |
| 2 | G | 43.4 | Very low | 40.5 | Very low | 83 Ų | 83 | 160.1 Ų | 160.1 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | | | cis | -118.3 | -176.1 | -11.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 3 | S | 39.6 | Very low | 40 | Very low | 106 Ų | 106 | 162.5 Ų | 162.5 | 74% | 0.741 | 83% | 0.83 | S | S | * | * | | | trans | -122.9 | 124.2 | 170.7 | 166.3 | 0 | 0 | 0 | 0 | 107.3 | | |
| 4 | L | 48.3 | Very low | 39.5 | Very low | 181 Ų | 181 | 159.6 Ų | 159.6 | 95% | 0.948 | 82% | 0.818 | S | S | * | * | | | trans | -82.4 | 128.2 | 164.6 | -88.6 | 161.2 | 0 | 0 | 0 | 108.2 | | |
| 5 | K | 49.2 | Very low | 39.2 | Very low | 158 Ų | 158 | 165.9 Ų | 165.9 | 69% | 0.687 | 83% | 0.827 | S | S | * | * | | | trans | -119.1 | 169.7 | 172.5 | -71.6 | -178.3 | 164.9 | -171.9 | 0 | 108.4 | | |
| 6 | D | 36.2 | Very low | 39 | Very low | 142 Ų | 142 | 167.3 Ų | 167.3 | 76% | 0.759 | 83% | 0.83 | S | S | * | * | | | trans | 68.1 | 157 | 158.4 | -50.3 | -43.8 | 0 | 0 | 0 | 114.5 | | |
| 7 | E | 37 | Very low | 39.3 | Very low | 147 Ų | 147 | 164.5 Ų | 164.5 | 69% | 0.687 | 83% | 0.827 | S | S | * | * | | | cis | -126.1 | 160.7 | -4.7 | -164.1 | 175.8 | 118.9 | 0 | 0 | 110 | R9 | E7-R9 IonicContact OE1-CZ 3.99Å; E7-R9 IonicContact OE1-NE 3.92Å; E7-R9 IonicContact OE1-NH2 3.13Å; E7-R9 PolarHBondContact OE1-NH2 2.7Å; E7-R9 VanDerWaalsContact OE1-NH2 3.13Å |
| 8 | K | 41.7 | Very low | 38.8 | Very low | 201 Ų | 201 | 162.7 Ų | 162.7 | 87% | 0.874 | 83% | 0.831 | S | S | * | * | | | trans | -120.8 | 115.6 | 177.4 | 41.3 | 178.8 | 169.7 | -178.9 | 0 | 109.8 | | |
| 9 | R | 36.1 | Very low | 38.4 | Very low | 205 Ų | 205 | 161.6 Ų | 161.6 | 77% | 0.774 | 82% | 0.822 | S | S | * | * | | | trans | -126.3 | 100.4 | 173.4 | -168.9 | 167.7 | -61.2 | -145.7 | 1.4 | 110.3 | E7 | E7-R9 IonicContact OE1-CZ 3.99Å; E7-R9 IonicContact OE1-NE 3.92Å; E7-R9 IonicContact OE1-NH2 3.13Å; E7-R9 PolarHBondContact OE1-NH2 2.7Å; E7-R9 VanDerWaalsContact OE1-NH2 3.13Å |
| 10 | A | 35.5 | Very low | 38.3 | Very low | 95 Ų | 95 | 160.8 Ų | 160.8 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | | | trans | -76.2 | 137.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 11 | L | 34.4 | Very low | 38.2 | Very low | 158 Ų | 158 | 160 Ų | 160 | 83% | 0.827 | 82% | 0.816 | S | S | * | * | | | trans | -108.7 | 108.5 | 159.8 | -78.2 | 168.9 | 0 | 0 | 0 | 107.8 | | |
| 12 | R | 35.7 | Very low | 37.6 | Very low | 200 Ų | 200 | 154.4 Ų | 154.4 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | | | trans | -81.2 | 140.8 | 148.9 | -78.5 | 178.9 | 167 | -96.5 | 0.9 | 106.7 | D14 | R12-D14 IonicContact NH1-OD1 2.66Š|
| 13 | E | 33.9 | Very low | 37.1 | Very low | 192 Ų | 192 | 157.5 Ų | 157.5 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | | | trans | -150.1 | 115.4 | 146 | -125 | 163.3 | -171.9 | 0 | 0 | 109.7 | | |
| 14 | D | 33.3 | Very low | 36.8 | Very low | 122 Ų | 122 | 161.2 Ų | 161.2 | 65% | 0.652 | 79% | 0.794 | S | S | * | * | | | trans | -83.7 | 134.2 | -175.5 | -48.6 | -92.3 | 0 | 0 | 0 | 110.6 | R12 | R12-D14 IonicContact NH1-OD1 2.66Š|
| 15 | R | 34.9 | Very low | 36 | Very low | 253 Ų | 253 | 155.4 Ų | 155.4 | 96% | 0.955 | 78% | 0.778 | S | S | * | * | | | trans | -138.7 | 126 | 150.3 | -72.2 | -159.8 | 175.4 | 178 | 2.2 | 111.5 | | |
| 16 | Q | 35.7 | Very low | 35.4 | Very low | 188 Ų | 188 | 155.8 Ų | 155.8 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | | | trans | -80.9 | 167.4 | 177.4 | -103 | -173.7 | -42.8 | 0 | 0 | 112.1 | | |
| 17 | P | 43.8 | Very low | 35.4 | Very low | 120 Ų | 120 | 153.4 Ų | 153.4 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | | | trans | -76.4 | 172.7 | -173.8 | 33.4 | -37.8 | 0 | 0 | 0 | 113.2 | | |
| 18 | C | 29.8 | Very low | 35.2 | Very low | 133 Ų | 133 | 154.8 Ų | 154.8 | 90% | 0.899 | 79% | 0.788 | S | S | * | * | | | trans | -120.9 | 135.1 | 170.9 | -148.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 19 | E | 31.8 | Very low | 34.7 | Very low | 142 Ų | 142 | 149 Ų | 149 | 66% | 0.664 | 79% | 0.785 | S | S | * | * | | | trans | -96.7 | 171.9 | -177.4 | -68.4 | -176.1 | 89.7 | 0 | 0 | 113.2 | | |
| 20 | K | 37.3 | Very low | 34.6 | Very low | 144 Ų | 144 | 144.2 Ų | 144.2 | 63% | 0.626 | 78% | 0.783 | S | S | * | * | | | trans | 71.9 | 121.1 | 147.2 | -78.1 | 147.9 | 178.8 | 141.8 | 0 | 118.6 | | |
| 21 | T | 34.8 | Very low | 34.7 | Very low | 145 Ų | 145 | 146.3 Ų | 146.3 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | | | | -145 | 147.4 | 104.9 | -1.2 | 0 | 0 | 0 | 0 | 110 | | |
| 22 | N | 36.8 | Very low | 34.7 | Very low | 128 Ų | 128 | 143.8 Ų | 143.8 | 68% | 0.684 | 78% | 0.777 | S | S | * | * | | | trans | -94.2 | 162.4 | 178 | -57.3 | -29.1 | 0 | 0 | 0 | 110.4 | | |
| 23 | N | 33.7 | Very low | 34.7 | Very low | 148 Ų | 148 | 140.3 Ų | 140.3 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | | | trans | 171.2 | 117.4 | 137.7 | -81.3 | -14.4 | 0 | 0 | 0 | 106.3 | | |
| 24 | E | 32.1 | Very low | 34.8 | Very low | 183 Ų | 183 | 136 Ų | 136 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | | | | 99.6 | 129.6 | 53.6 | -175.6 | 167.2 | -152.4 | 0 | 0 | 111.6 | | |
| 25 | G | 33.5 | Very low | 34.8 | Very low | 60 Ų | 60 | 135.2 Ų | 135.2 | 62% | 0.619 | 79% | 0.79 | S | S | * | * | | | trans | 118 | 103.7 | -163.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 26 | L | 36.3 | Very low | 34.9 | Very low | 165 Ų | 165 | 127.6 Ų | 127.6 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | | | | 65.4 | 127.7 | 60.2 | -55.1 | 176.3 | 0 | 0 | 0 | 112.4 | | |
| 27 | S | 35 | Very low | 34.8 | Very low | 93 Ų | 93 | 128.2 Ų | 128.2 | 65% | 0.65 | 79% | 0.785 | S | S | * | * | | | cis | -154.3 | -167.4 | -0.7 | -134.5 | 0 | 0 | 0 | 0 | 112 | | |
| 28 | E | 32.9 | Very low | 34.1 | Very low | 176 Ų | 176 | 126 Ų | 126 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | | | trans | -59.5 | 161.1 | -177.7 | -45.8 | 101 | 120.5 | 0 | 0 | 115.1 | | |
| 29 | G | 30.9 | Very low | 34.5 | Very low | 80 Ų | 80 | 130.5 Ų | 130.5 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | trans | -175.3 | 112.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 30 | S | 35.5 | Very low | 35.2 | Very low | 104 Ų | 104 | 129.3 Ų | 129.3 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | trans | -97.5 | 149.8 | -173.6 | -128.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 31 | D | 35.8 | Very low | 35.1 | Very low | 138 Ų | 138 | 130 Ų | 130 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | | | trans | 61.8 | 120.2 | 141.6 | -66.3 | -54.5 | 0 | 0 | 0 | 123.4 | | |
| 32 | S | 35.9 | Very low | 34.8 | Very low | 106 Ų | 106 | 133 Ų | 133 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | | | | 103.2 | 151.4 | 120.9 | 78.7 | 0 | 0 | 0 | 0 | 122.6 | | |
| 33 | S | 36.1 | Very low | 34.6 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 88% | 0.881 | 79% | 0.787 | S | S | * | * | | | trans | 77.3 | 162.2 | 162.9 | 80 | 0 | 0 | 0 | 0 | 117.7 | | |
| 34 | A | 36.2 | Very low | 34.3 | Very low | 103 Ų | 103 | 130.1 Ų | 130.1 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | | | trans | -130.2 | 151.5 | -155 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 35 | A | 33 | Very low | 34.3 | Very low | 104 Ų | 104 | 129.5 Ų | 129.5 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | | | trans | -143 | 146.2 | 159.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 36 | A | 35.9 | Very low | 34 | Very low | 94 Ų | 94 | 135.4 Ų | 135.4 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | | | trans | -104.2 | 148.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 37 | E | 32.9 | Very low | 34.3 | Very low | 201 Ų | 201 | 131.2 Ų | 131.2 | 94% | 0.939 | 78% | 0.78 | S | S | * | * | | | trans | 170.6 | 165.7 | 136.3 | -98.5 | 178.9 | -173.6 | 0 | 0 | 112.1 | | |
| 38 | G | 29.9 | Very low | 34.2 | Very low | 73 Ų | 73 | 132.7 Ų | 132.7 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | | | trans | 86 | 80.4 | 149.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 39 | R | 37.3 | Very low | 34.3 | Very low | 228 Ų | 228 | 130.7 Ų | 130.7 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | | | trans | -71.8 | 148.1 | 140.5 | -74.8 | -171.3 | 175.8 | -154.1 | 0.3 | 108.5 | | |
| 40 | P | 46.8 | Very low | 34.2 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | | | | -142.9 | 154 | 106.1 | 36.8 | -23.8 | 0 | 0 | 0 | 115 | | |
| 41 | L | 35.9 | Very low | 34 | Very low | 157 Ų | 157 | 135.3 Ų | 135.3 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | | | trans | -85.5 | 154.2 | 165.9 | -73.1 | 161.6 | 0 | 0 | 0 | 110.5 | | |
| 42 | R | 28.2 | Very low | 33.9 | Very low | 209 Ų | 209 | 135.8 Ų | 135.8 | 79% | 0.789 | 79% | 0.787 | S | S | * | * | | | trans | -149 | 121.1 | -177.3 | -102.3 | -73.5 | -176.7 | 160.8 | -1.4 | 113.7 | | |
| 43 | T | 31.8 | Very low | 33.7 | Very low | 99 Ų | 99 | 137 Ų | 137 | 61% | 0.607 | 80% | 0.795 | S | S | * | * | | | trans | 61.1 | 155.8 | 151.9 | 42.9 | 0 | 0 | 0 | 0 | 118.3 | | |
| 44 | C | 28.9 | Very low | 33.6 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | | | cis | -120.4 | 160.4 | 9.3 | -53.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 45 | Q | 32 | Very low | 33.4 | Very low | 169 Ų | 169 | 141 Ų | 141 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | cis | 89.2 | 95.4 | 23.2 | -170 | -175 | 6.9 | 0 | 0 | 116.4 | | |
| 46 | E | 27.2 | Very low | 33.5 | Very low | 184 Ų | 184 | 145.4 Ų | 145.4 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | | | trans | 174.3 | 151.5 | 144.6 | -106.9 | -152.1 | 90 | 0 | 0 | 109.8 | | |
| 47 | S | 41.4 | Very low | 33.4 | Very low | 77 Ų | 77 | 149.5 Ų | 149.5 | 54% | 0.538 | 80% | 0.803 | S | S | . | * | | | cis | -151.6 | 166.4 | -6.8 | -24.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 48 | T | 32.8 | Very low | 33.3 | Very low | 124 Ų | 124 | 147.2 Ų | 147.2 | 76% | 0.761 | 79% | 0.792 | S | S | * | * | | | trans | 54.1 | 99.6 | 150.4 | 54.8 | 0 | 0 | 0 | 0 | 124.1 | | |
| 49 | T | 35.2 | Very low | 33.4 | Very low | 135 Ų | 135 | 150.2 Ų | 150.2 | 83% | 0.828 | 79% | 0.789 | S | S | * | * | | | | 34.8 | 124.5 | 118.1 | 57.9 | 0 | 0 | 0 | 0 | 123 | | |
| 50 | S | 28.8 | Very low | 33.1 | Very low | 97 Ų | 97 | 145.4 Ų | 145.4 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | | | | -172.5 | 144.7 | 100.5 | -152.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 51 | E | 32.2 | Very low | 32.4 | Very low | 183 Ų | 183 | 144.1 Ų | 144.1 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | | | trans | 57.9 | 144.5 | 155 | -74.4 | 154.1 | 126.5 | 0 | 0 | 123.6 | | |
| 52 | D | 33.4 | Very low | 32.2 | Very low | 148 Ų | 148 | 142.4 Ų | 142.4 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | | | trans | -92.2 | 151 | -174.7 | -74.3 | -78.3 | 0 | 0 | 0 | 114.2 | | |
| 53 | C | 31.7 | Very low | 32.5 | Very low | 133 Ų | 133 | 137 Ų | 137 | 90% | 0.899 | 77% | 0.774 | S | S | * | * | | | | -166.3 | 132.6 | 113.8 | -101.3 | 0 | 0 | 0 | 0 | 113 | | |
| 54 | Q | 34.6 | Very low | 32.6 | Very low | 185 Ų | 185 | 139 Ų | 139 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | | | trans | -86.8 | 150.6 | 172.4 | -64.2 | -175.3 | -19.7 | 0 | 0 | 112.1 | | |
| 55 | S | 31 | Very low | 32.7 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | | | trans | -149.5 | 119.2 | 133.3 | 60.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 56 | K | 35.2 | Very low | 32.7 | Very low | 196 Ų | 196 | 135.2 Ų | 135.2 | 85% | 0.852 | 78% | 0.779 | S | S | * | * | | | trans | -136.4 | 112.4 | 171.1 | 175.1 | -174.2 | 176.5 | -179.1 | 0 | 107.6 | | |
| 57 | L | 33.9 | Very low | 33.2 | Very low | 180 Ų | 180 | 136.2 Ų | 136.2 | 94% | 0.942 | 78% | 0.775 | S | S | * | * | | | trans | -137.3 | 161 | 170.3 | -76.6 | 179.4 | 0 | 0 | 0 | 111 | | |
| 58 | H | 30.4 | Very low | 32.8 | Very low | 153 Ų | 153 | 138 Ų | 138 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | | | trans | -152.7 | 171.4 | -168.5 | -168.6 | -80.5 | 0 | 0 | 0 | 108.2 | | |
| 59 | M | 33.2 | Very low | 32.9 | Very low | 137 Ų | 137 | 140 Ų | 140 | 68% | 0.675 | 77% | 0.773 | S | S | * | * | | | trans | 99.4 | 96.7 | 171.2 | -53.9 | -96.6 | 85.2 | 0 | 0 | 117.2 | | |
| 60 | D | 30.9 | Very low | 33.1 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 68% | 0.679 | 77% | 0.77 | S | S | * | * | | | | 67.9 | 121.6 | 106 | -65 | 18.8 | 0 | 0 | 0 | 123.9 | | |
| 61 | A | 32 | Very low | 33.2 | Very low | 90 Ų | 90 | 143.2 Ų | 143.2 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | | | | 107.6 | 149.8 | 118.2 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 62 | S | 32.3 | Very low | 33.2 | Very low | 120 Ų | 120 | 144.2 Ų | 144.2 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | | | trans | 80.3 | 148 | 165.5 | 87.3 | 0 | 0 | 0 | 0 | 116.9 | | |
| 63 | S | 33.4 | Very low | 33 | Very low | 96 Ų | 96 | 142.5 Ų | 142.5 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | | | cis | -168.9 | 139.4 | -5.2 | 129.5 | 0 | 0 | 0 | 0 | 113 | | |
| 64 | V | 35 | Very low | 32.9 | Very low | 140 Ų | 140 | 145.9 Ų | 145.9 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | | | trans | 59.7 | 150.4 | 147.7 | -178.1 | 0 | 0 | 0 | 0 | 117.8 | | |
| 65 | G | 30.5 | Very low | 32.9 | Very low | 65 Ų | 65 | 144.3 Ų | 144.3 | 67% | 0.67 | 78% | 0.779 | S | S | * | * | | | cis | 177.6 | 168.6 | 0.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 66 | N | 32.2 | Very low | 33.4 | Very low | 142 Ų | 142 | 143.5 Ų | 143.5 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | | | cis | -143.9 | 161.3 | 25.8 | -91.8 | -52.8 | 0 | 0 | 0 | 109.5 | | |
| 67 | R | 36.5 | Very low | 33.2 | Very low | 205 Ų | 205 | 141.8 Ų | 141.8 | 77% | 0.774 | 77% | 0.766 | S | S | * | * | | | | 62.7 | 137.8 | 60.6 | -107.9 | -162.8 | -171.1 | -141.8 | 17.8 | 112 | | |
| 68 | E | 33.9 | Very low | 33.2 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 54% | 0.542 | 76% | 0.759 | S | S | . | * | | | cis | -135 | -165.7 | 6.8 | -52.5 | -165.9 | 118.2 | 0 | 0 | 109.4 | | |
| 69 | K | 34.9 | Very low | 33.3 | Very low | 165 Ų | 165 | 140.4 Ų | 140.4 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | | | cis | -159.8 | -167.8 | 5 | -145.8 | 155.9 | -163.7 | 153.3 | 0 | 110.4 | | |
| 70 | T | 38.3 | Very low | 33 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | | | trans | -150.4 | 145.1 | 171.8 | -34.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 71 | L | 30.8 | Very low | 32.9 | Very low | 172 Ų | 172 | 137.3 Ų | 137.3 | 90% | 0.901 | 77% | 0.769 | S | S | * | * | | | trans | -148.9 | 158.3 | 167.3 | -80.2 | -176.2 | 0 | 0 | 0 | 112.4 | | |
| 72 | K | 32.5 | Very low | 32.8 | Very low | 205 Ų | 205 | 139.9 Ų | 139.9 | 89% | 0.891 | 77% | 0.771 | S | S | * | * | | | trans | -126.9 | 148.7 | 177 | -60.9 | 177.5 | 176.3 | -177.6 | 0 | 110.5 | | |
| 73 | S | 30.7 | Very low | 32.8 | Very low | 112 Ų | 112 | 139.7 Ų | 139.7 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | | | trans | -175 | 123.7 | 146.3 | 53.2 | 0 | 0 | 0 | 0 | 116.1 | | |
| 74 | K | 29.4 | Very low | 32.7 | Very low | 203 Ų | 203 | 144.6 Ų | 144.6 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | | | trans | 49.2 | 134.2 | 137.9 | -69.9 | -173.7 | 171.2 | -174.8 | 0 | 123.7 | | |
| 75 | D | 33.5 | Very low | 32.5 | Very low | 152 Ų | 152 | 142.4 Ų | 142.4 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | | | trans | -68.1 | 166.9 | 154.1 | -39.6 | -91.6 | 0 | 0 | 0 | 112.6 | | |
| 76 | P | 42.4 | Very low | 32.3 | Very low | 110 Ų | 110 | 144.8 Ų | 144.8 | 71% | 0.714 | 78% | 0.776 | S | S | * | * | | | | -146 | 167.2 | 75.7 | 39.8 | -22.4 | 0 | 0 | 0 | 116.8 | | |
| 77 | E | 30.9 | Very low | 32.3 | Very low | 161 Ų | 161 | 146.3 Ų | 146.3 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | | | trans | 32 | 158.1 | 141 | -55.7 | 179.8 | 145.2 | 0 | 0 | 121.9 | | |
| 78 | F | 34.1 | Very low | 32.6 | Very low | 180 Ų | 180 | 142.7 Ų | 142.7 | 79% | 0.789 | 78% | 0.782 | S | S | * | * | | | cis | -162.9 | 147.5 | 20.8 | -134.5 | -62.7 | 0 | 0 | 0 | 109.3 | | |
| 79 | C | 31.1 | Very low | 32.4 | Very low | 124 Ų | 124 | 142.5 Ų | 142.5 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | | | trans | -173 | 144.5 | 133 | -161.5 | 0 | 0 | 0 | 0 | 111 | | |
| 80 | G | 27 | Very low | 32 | Very low | 57 Ų | 57 | 139.2 Ų | 139.2 | 59% | 0.588 | 80% | 0.797 | S | S | * | * | | | trans | -158.3 | 155.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 81 | V | 29.5 | Very low | 31.6 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | | | trans | -134.8 | 143.9 | 175.8 | -177.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 82 | N | 29.1 | Very low | 31.6 | Very low | 145 Ų | 145 | 138.6 Ų | 138.6 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | | | trans | -117.5 | 154.4 | -162 | -47.3 | -54.7 | 0 | 0 | 0 | 112.9 | | |
| 83 | S | 33.1 | Very low | 32 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | | | trans | 176.4 | 130.6 | 142.3 | -79.8 | 0 | 0 | 0 | 0 | 107.8 | | |
| 84 | K | 30.8 | Very low | 32 | Very low | 198 Ų | 198 | 134.2 Ų | 134.2 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | | | cis | 60.4 | 135.5 | 43.5 | -70.8 | -166.9 | 175.7 | -175.9 | 0 | 114.4 | | |
| 85 | S | 30.4 | Very low | 32.1 | Very low | 95 Ų | 95 | 132.6 Ų | 132.6 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | | | cis | -175.1 | 159.9 | -16.6 | 46.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 86 | S | 28.1 | Very low | 31.8 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | | | trans | 82.1 | 139.6 | 155.1 | -48.5 | 0 | 0 | 0 | 0 | 120.2 | | |
| 87 | E | 32.2 | Very low | 31 | Very low | 173 Ų | 173 | 132.5 Ų | 132.5 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | | | trans | -75.7 | 177.4 | 159.8 | -48.4 | 173.3 | 131.8 | 0 | 0 | 110.7 | | |
| 88 | P | 41.9 | Very low | 30.9 | Very low | 130 Ų | 130 | 128.9 Ų | 128.9 | 84% | 0.844 | 77% | 0.774 | S | S | * | * | | | | -147.6 | 173.5 | 85 | 38.7 | -20.6 | 0 | 0 | 0 | 116.3 | | |
| 89 | S | 29.3 | Very low | 30.9 | Very low | 112 Ų | 112 | 128.5 Ų | 128.5 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | | | trans | -87 | 158.8 | -175.3 | -22.7 | 0 | 0 | 0 | 0 | 115.5 | | |
| 90 | A | 27.7 | Very low | 31 | Very low | 96 Ų | 96 | 128.7 Ų | 128.7 | 79% | 0.793 | 77% | 0.774 | S | S | * | * | | | trans | 168.2 | 149.1 | 142.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 91 | S | 28.9 | Very low | 30.9 | Very low | 114 Ų | 114 | 129 Ų | 129 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | cis | -168 | 149.9 | -16.9 | 50.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 92 | E | 31.6 | Very low | 30.7 | Very low | 171 Ų | 171 | 129.6 Ų | 129.6 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | | | trans | -71.4 | 177.9 | 171.2 | -51.2 | -172.5 | 135.4 | 0 | 0 | 112.7 | | |
| 93 | P | 41.3 | Very low | 30.5 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | | | | -150.1 | 139.3 | 84.1 | 36.2 | -16.6 | 0 | 0 | 0 | 118.2 | | |
| 94 | V | 29.6 | Very low | 31.4 | Very low | 109 Ų | 109 | 129.8 Ų | 129.8 | 66% | 0.661 | 77% | 0.77 | S | S | * | * | | | trans | 71.5 | 128.7 | 132.1 | 174.8 | 0 | 0 | 0 | 0 | 117.2 | | |
| 95 | K | 32.6 | Very low | 31 | Very low | 170 Ų | 170 | 126.4 Ų | 126.4 | 74% | 0.739 | 77% | 0.766 | S | S | * | * | | | | -166 | 141.3 | 67.9 | -154.6 | 150.1 | -167 | 172.7 | 0 | 117.8 | | |
| 96 | D | 26 | Very low | 30.7 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 66% | 0.658 | 77% | 0.769 | S | S | * | * | | | trans | 19.1 | 133.7 | 149.9 | -40.6 | -30.1 | 0 | 0 | 0 | 119.7 | | |
| 97 | C | 26.4 | Very low | 30.5 | Very low | 137 Ų | 137 | 129.1 Ų | 129.1 | 93% | 0.926 | 77% | 0.767 | S | S | * | * | | | | -157.7 | 170.8 | 54.7 | -117 | 0 | 0 | 0 | 0 | 114.4 | | |
| 98 | A | 27.6 | Very low | 30.2 | Very low | 85 Ų | 85 | 129 Ų | 129 | 70% | 0.702 | 77% | 0.767 | S | S | * | * | | | trans | -103.6 | 150.1 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 99 | Q | 35.2 | Very low | 29.4 | Very low | 171 Ų | 171 | 128.5 Ų | 128.5 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | | | | 53.4 | 130.9 | 98.3 | -59.6 | -65.3 | -23.7 | 0 | 0 | 115.5 | | |
| 100 | P | 32.7 | Very low | 29.2 | Very low | 129 Ų | 129 | 129.6 Ų | 129.6 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | | | | -134.8 | -172.7 | 66.4 | 42.2 | -27.8 | 0 | 0 | 0 | 113.3 | | |
| 101 | G | 24.2 | Very low | 29.1 | Very low | 64 Ų | 64 | 128.7 Ų | 128.7 | 66% | 0.66 | 76% | 0.756 | S | S | * | * | | | cis | 168.1 | 175.5 | -3.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 102 | D | 25.4 | Very low | 28.9 | Very low | 153 Ų | 153 | 129 Ų | 129 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | | | trans | -82 | 149.7 | -165.7 | -49.2 | -95.4 | 0 | 0 | 0 | 116.9 | | |
| 103 | M | 24.5 | Very low | 28.8 | Very low | 164 Ų | 164 | 128 Ų | 128 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | | | trans | 47.4 | 170.3 | 130.4 | -65.4 | -68.3 | 102.9 | 0 | 0 | 122 | | |
| 104 | P | 51.9 | Low | 28.2 | Very low | 101 Ų | 101 | 128.7 Ų | 128.7 | 66% | 0.656 | 75% | 0.746 | S | S | * | * | | | cis | -131 | -152.4 | -39.9 | 32.6 | -11.7 | 0 | 0 | 0 | 111.7 | | |
| 105 | V | 24.5 | Very low | 28 | Very low | 127 Ų | 127 | 131.9 Ų | 131.9 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | | | trans | 68.7 | 149.3 | 167.7 | -123.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 106 | T | 23.7 | Very low | 27.7 | Very low | 118 Ų | 118 | 126.9 Ų | 126.9 | 72% | 0.724 | 74% | 0.744 | S | S | * | * | | | cis | -149 | 171.7 | 17.3 | -42.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 107 | L | 24 | Very low | 27.6 | Very low | 148 Ų | 148 | 127.2 Ų | 127.2 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | | | trans | -40.9 | 166.6 | 158.4 | -53.9 | 164.3 | 0 | 0 | 0 | 112.7 | | |
| 108 | Q | 25.3 | Very low | 27.5 | Very low | 170 Ų | 170 | 127 Ų | 127 | 79% | 0.794 | 74% | 0.744 | S | S | * | * | | | cis | -168.6 | 167.1 | 40.3 | -158.3 | 162.3 | 28.5 | 0 | 0 | 114.5 | | |
| 109 | T | 24.4 | Very low | 27.6 | Very low | 121 Ų | 121 | 127.8 Ų | 127.8 | 74% | 0.742 | 75% | 0.745 | S | S | * | * | | | trans | -47.1 | 152.1 | 163.8 | -27.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 110 | V | 25.7 | Very low | 28.2 | Very low | 135 Ų | 135 | 124.5 Ų | 124.5 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | | | | -166.5 | 149.9 | 122.5 | 138.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 111 | A | 26.4 | Very low | 28 | Very low | 77 Ų | 77 | 125.4 Ų | 125.4 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | | | trans | -91.2 | -158.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 112 | T | 24.5 | Very low | 28.4 | Very low | 121 Ų | 121 | 128.5 Ų | 128.5 | 74% | 0.742 | 74% | 0.738 | S | S | * | * | | | trans | 66.6 | 144 | 164.6 | 37.1 | 0 | 0 | 0 | 0 | 116.7 | | |
| 113 | Q | 28.4 | Very low | 28.7 | Very low | 150 Ų | 150 | 131 Ų | 131 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | | | cis | -171.8 | 164.1 | -14.9 | -140.3 | 177 | 10.7 | 0 | 0 | 108.1 | | |
| 114 | N | 29.6 | Very low | 28.8 | Very low | 129 Ų | 129 | 126 Ų | 126 | 69% | 0.69 | 74% | 0.736 | S | S | * | * | | | trans | 66.2 | 170.1 | 164.2 | -34 | -39.1 | 0 | 0 | 0 | 114.5 | | |
| 115 | E | 24.8 | Very low | 27.8 | Very low | 176 Ų | 176 | 129.7 Ų | 129.7 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | | | cis | -154.1 | 168 | -18.4 | -137 | -171.7 | 123.6 | 0 | 0 | 111.3 | | |
| 116 | A | 25.8 | Very low | 28.1 | Very low | 65 Ų | 65 | 126.7 Ų | 126.7 | 54% | 0.537 | 74% | 0.744 | S | S | . | * | | | trans | 43.5 | 114.4 | 137.2 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 117 | T | 23.9 | Very low | 28.5 | Very low | 130 Ų | 130 | 129 Ų | 129 | 80% | 0.798 | 75% | 0.752 | S | S | * | * | | | | 82.3 | 113.1 | 109.9 | -57.2 | 0 | 0 | 0 | 0 | 121.4 | | |
| 118 | V | 25.9 | Very low | 29.2 | Very low | 132 Ų | 132 | 125.9 Ų | 125.9 | 80% | 0.8 | 75% | 0.748 | S | S | * | * | | | trans | 88 | 135.1 | 144 | 166 | 0 | 0 | 0 | 0 | 121.5 | | |
| 119 | S | 28.4 | Very low | 29.6 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | | | trans | -57.4 | -166.7 | 169.5 | -27.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 120 | P | 48.9 | Very low | 30 | Very low | 101 Ų | 101 | 125.5 Ų | 125.5 | 66% | 0.656 | 76% | 0.76 | S | S | * | * | | | cis | -134.5 | 178.2 | -8 | 42 | -26.4 | 0 | 0 | 0 | 114.8 | | |
| 121 | N | 27 | Very low | 30.5 | Very low | 149 Ų | 149 | 127.5 Ų | 127.5 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | | | | -166.7 | 172.5 | 115.2 | -119.7 | -50.9 | 0 | 0 | 0 | 116.4 | | |
| 122 | N | 32.7 | Very low | 30.6 | Very low | 129 Ų | 129 | 130.1 Ų | 130.1 | 69% | 0.69 | 76% | 0.764 | S | S | * | * | | | trans | -109.3 | 153.4 | -172.6 | -51.9 | -96.9 | 0 | 0 | 0 | 112.4 | | |
| 123 | Q | 31.6 | Very low | 31.1 | Very low | 204 Ų | 204 | 130.5 Ų | 130.5 | 95% | 0.953 | 77% | 0.766 | S | S | * | * | | | trans | 175.4 | 145.3 | 138 | -97.2 | 157.5 | 35.1 | 0 | 0 | 110.2 | | |
| 124 | G | 28.3 | Very low | 31.2 | Very low | 61 Ų | 61 | 127.7 Ų | 127.7 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | | | cis | 169.4 | 147.9 | -12.7 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 125 | N | 30.3 | Very low | 31.3 | Very low | 177 Ų | 177 | 129.2 Ų | 129.2 | 95% | 0.947 | 78% | 0.775 | S | S | * | * | | | trans | 63 | 142.5 | 147.9 | -61 | 1.1 | 0 | 0 | 0 | 123.5 | | |
| 126 | G | 30.8 | Very low | 31.6 | Very low | 64 Ų | 64 | 126.4 Ų | 126.4 | 66% | 0.66 | 77% | 0.766 | S | S | * | * | | | trans | 117.9 | 103.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 127 | N | 32.3 | Very low | 32.2 | Very low | 167 Ų | 167 | 131.8 Ų | 131.8 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | | | | 79.7 | 134.7 | 69.9 | -75.2 | 13.7 | 0 | 0 | 0 | 113.1 | | |
| 128 | A | 38.5 | Very low | 32.5 | Very low | 83 Ų | 83 | 129.3 Ų | 129.3 | 69% | 0.686 | 78% | 0.777 | S | S | * | * | | | cis | -164.2 | -163 | -3.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 129 | E | 34 | Very low | 33.1 | Very low | 201 Ų | 201 | 130.9 Ų | 130.9 | 94% | 0.939 | 78% | 0.781 | S | S | * | * | | | trans | 88.6 | 144.1 | 160.8 | -50.6 | -168.1 | 170.2 | 0 | 0 | 119.4 | | |
| 130 | G | 33 | Very low | 33.3 | Very low | 82 Ų | 82 | 129.2 Ų | 129.2 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | | | trans | 120.7 | 63.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 131 | E | 34.5 | Very low | 33 | Very low | 177 Ų | 177 | 130.1 Ų | 130.1 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | | | trans | -81.2 | 137.7 | 167.2 | -63.6 | -178.5 | 124.9 | 0 | 0 | 112.8 | | |
| 132 | N | 29.9 | Very low | 33.3 | Very low | 132 Ų | 132 | 130.2 Ų | 130.2 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | | | | 152.2 | 128.2 | 118.2 | -84.2 | -73 | 0 | 0 | 0 | 115.9 | | |
| 133 | V | 35.3 | Very low | 33.6 | Very low | 129 Ų | 129 | 130.6 Ų | 130.6 | 78% | 0.782 | 79% | 0.791 | S | S | * | * | | | | 25.3 | 125.1 | 128.9 | -162.8 | 0 | 0 | 0 | 0 | 117.2 | | |
| 134 | A | 30.2 | Very low | 34 | Very low | 91 Ų | 91 | 125.8 Ų | 125.8 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | | | | -164.7 | -168.8 | 60.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 135 | L | 32 | Very low | 34.5 | Very low | 160 Ų | 160 | 129.3 Ų | 129.3 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | | | trans | -54.6 | 170.9 | 174 | -71 | 73.6 | 0 | 0 | 0 | 114.4 | | |
| 136 | D | 30.6 | Very low | 34.8 | Very low | 117 Ų | 117 | 127.1 Ų | 127.1 | 63% | 0.626 | 77% | 0.767 | S | S | * | * | | | cis | -147.7 | -176.5 | 23.7 | -162.3 | 15.6 | 0 | 0 | 0 | 113.6 | | |
| 137 | K | 37.5 | Very low | 35.1 | Very low | 179 Ų | 179 | 132.7 Ų | 132.7 | 78% | 0.778 | 77% | 0.773 | S | S | * | * | | | trans | -54.7 | 148.1 | -169.4 | -52.3 | 128.5 | -166.8 | 134.9 | 0 | 117.2 | | |
| 138 | G | 30.1 | Very low | 35.3 | Very low | 78 Ų | 78 | 130 Ų | 130 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | trans | -142.2 | 129.6 | 143.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 139 | D | 39.1 | Very low | 35.2 | Very low | 165 Ų | 165 | 131.5 Ų | 131.5 | 88% | 0.882 | 77% | 0.765 | S | S | * | * | | | trans | -80.1 | 146.4 | 175.9 | -172 | 9.3 | 0 | 0 | 0 | 110.4 | | |
| 140 | G | 33.8 | Very low | 35.3 | Very low | 67 Ų | 67 | 127.9 Ų | 127.9 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | | | trans | -177.3 | 53.9 | -164.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 141 | T | 41.5 | Very low | 35.5 | Very low | 120 Ų | 120 | 129.4 Ų | 129.4 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | | | trans | -1.8 | 123.3 | 170.6 | 55.6 | 0 | 0 | 0 | 0 | 118.3 | V143 | T141-V143 PolarHBondContact O-N 3.13Š|
| 142 | D | 32.6 | Very low | 35.8 | Very low | 152 Ų | 152 | 126.4 Ų | 126.4 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | | | trans | -52 | 115.7 | 175.6 | -65.6 | -76.1 | 0 | 0 | 0 | 114.3 | V144 | D142-V144 VanDerWaalsContact C-N 3.31Å; D142-V144 HydrophobicContact CB-CG2 3.87Å; D142-V144 PolarHBondContact O-N 3.39Å |
| 143 | V | 40.4 | Very low | 36.1 | Very low | 136 Ų | 136 | 126.1 Ų | 126.1 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | | | trans | -83 | 84.8 | 152.7 | -177.9 | 0 | 0 | 0 | 0 | 107.2 | T141 N145 | T141-V143 PolarHBondContact O-N 3.13Å; V143-N145 PolarHBondContact O-N 3.1Å |
| 144 | V | 39.3 | Very low | 36.4 | Very low | 104 Ų | 104 | 125.6 Ų | 125.6 | 63% | 0.63 | 75% | 0.753 | S | S | * | * | | | trans | -61.4 | 105 | 174.9 | -176.8 | 0 | 0 | 0 | 0 | 108.5 | D142 I146 | D142-V144 VanDerWaalsContact C-N 3.31Å; D142-V144 HydrophobicContact CB-CG2 3.87Å; D142-V144 PolarHBondContact O-N 3.39Å; V144-I146 VanDerWaalsContact C-N 3.29Å; V144-I146 HydrophobicContact CB-CG1 4.45Å; V144-I146 HydrophobicContact CG1-CG1 3.87Å; V144-I146 PolarHBondContact O-N 2.96Å |
| 145 | N | 38.5 | Very low | 36.7 | Very low | 134 Ų | 134 | 126.4 Ų | 126.4 | 72% | 0.717 | 74% | 0.744 | S | S | * | * | | | trans | -78.8 | 81.8 | -179.4 | -156.8 | 11.1 | 0 | 0 | 0 | 109.2 | V143 F147 | V143-N145 PolarHBondContact O-N 3.1Å; N145-F147 PolarHBondContact O-N 3.35Å |
| 146 | I | 36.9 | Very low | 37.3 | Very low | 131 Ų | 131 | 125.1 Ų | 125.1 | 67% | 0.672 | 75% | 0.745 | S | S | * | * | | | trans | -66.9 | 96.6 | -174.5 | -55.9 | 176.1 | 0 | 0 | 0 | 109.6 | V144 V148 | V144-I146 VanDerWaalsContact C-N 3.29Å; V144-I146 HydrophobicContact CB-CG1 4.45Å; V144-I146 HydrophobicContact CG1-CG1 3.87Å; V144-I146 PolarHBondContact O-N 2.96Å; I146-V148 VanDerWaalsContact C-N 3.29Å; I146-V148 HydrophobicContact CG2-CG2 3.88Å; I146-V148 PolarHBondContact O-N 3.14Å |
| 147 | F | 37.3 | Very low | 37.8 | Very low | 182 Ų | 182 | 123.8 Ų | 123.8 | 80% | 0.798 | 75% | 0.746 | S | S | * | * | | | trans | -64.5 | 90.9 | 161.5 | -94.2 | -96.3 | 0 | 0 | 0 | 109.2 | N145 P149 | N145-F147 PolarHBondContact O-N 3.35Å; F147-P149 VanDerWaalsContact O-CD 3.29Å; F147-P149 WeakPolarHBondContact O-CD 3.46Å |
| 148 | V | 36.3 | Very low | 38.4 | Very low | 109 Ų | 109 | 119.3 Ų | 119.3 | 66% | 0.661 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 118.1 | 166.5 | 179.9 | 0 | 0 | 0 | 0 | 107.7 | I146 V150 | I146-V148 VanDerWaalsContact C-N 3.29Å; I146-V148 HydrophobicContact CG2-CG2 3.88Å; I146-V148 PolarHBondContact O-N 3.14Å; V148-V150 PolarHBondContact O-N 3.36Å; V148-V150 VanDerWaalsContact O-N 3.15Å |
| 149 | P | 37.5 | Very low | 39.2 | Very low | 116 Ų | 116 | 121.5 Ų | 121.5 | 75% | 0.753 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 116 | 174.7 | -17.4 | 32.3 | 0 | 0 | 0 | 109.1 | F147 | F147-P149 VanDerWaalsContact O-CD 3.29Å; F147-P149 WeakPolarHBondContact O-CD 3.46Å |
| 150 | V | 35.5 | Very low | 39.6 | Very low | 124 Ų | 124 | 124 Ų | 124 | 75% | 0.752 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -63 | 124.3 | 169.3 | 178.2 | 0 | 0 | 0 | 0 | 107.5 | V148 S152 | V148-V150 PolarHBondContact O-N 3.36Å; V148-V150 VanDerWaalsContact O-N 3.15Å; V150-S152 PolarHBondContact O-N 2.67Å |
| 151 | P | 36.4 | Very low | 39.8 | Very low | 114 Ų | 114 | 125.1 Ų | 125.1 | 74% | 0.74 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 118.8 | 177.1 | 27.2 | -33 | 0 | 0 | 0 | 109.2 | T153 | P151-T153 PolarHBondContact O-N 3.09Š|
| 152 | S | 40.4 | Very low | 40 | Very low | 114 Ų | 114 | 125.2 Ų | 125.2 | 80% | 0.797 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 122.7 | 177.4 | -53.3 | 0 | 0 | 0 | 0 | 110.7 | V150 | V150-S152 PolarHBondContact O-N 2.67Š|
| 153 | T | 37.6 | Very low | 40.4 | Very low | 127 Ų | 127 | 121.6 Ų | 121.6 | 78% | 0.779 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -60 | 132.1 | 171.3 | 47.6 | 0 | 0 | 0 | 0 | 109.6 | P151 D155 | P151-T153 PolarHBondContact O-N 3.09Å; T153-D155 PolarHBondContact O-N 2.95Å |
| 154 | P | 40.3 | Very low | 40.4 | Very low | 118 Ų | 118 | 121 Ų | 121 | 77% | 0.766 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 135.7 | 175.7 | -24.9 | 34.5 | 0 | 0 | 0 | 111.7 | | |
| 155 | D | 36.1 | Very low | 40.6 | Very low | 107 Ų | 107 | 125.5 Ų | 125.5 | 57% | 0.572 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 127.3 | 171.4 | -175.8 | -24.2 | 0 | 0 | 0 | 109.3 | T153 S157 | T153-D155 PolarHBondContact O-N 2.95Å; D155-S157 PolarHBondContact O-N 3.19Å; D155-S157 WeakPolarHBondContact OD1-CB 3.29Å; D155-S157 PolarHBondContact OD1-N 3.48Å; D155-S157 PolarHBondContact OD1-OG 3Å |
| 156 | P | 46.2 | Very low | 41 | Very low | 133 Ų | 133 | 122.9 Ų | 122.9 | 86% | 0.864 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -0.4 | 178 | 28.7 | -36.7 | 0 | 0 | 0 | 114.5 | | |
| 157 | S | 39.9 | Very low | 41.3 | Very low | 90 Ų | 90 | 124 Ų | 124 | 63% | 0.629 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -5.3 | -173.2 | -42.2 | 0 | 0 | 0 | 0 | 115.4 | D155 P159 | D155-S157 PolarHBondContact O-N 3.19Å; D155-S157 WeakPolarHBondContact OD1-CB 3.29Å; D155-S157 PolarHBondContact OD1-N 3.48Å; D155-S157 PolarHBondContact OD1-OG 3Å; S157-P159 VanDerWaalsContact O-CD 3.3Å; S157-P159 WeakPolarHBondContact O-CD 3.42Å |
| 158 | D | 50.4 | Low | 41.6 | Very low | 84 Ų | 84 | 124.4 Ų | 124.4 | 45% | 0.449 | 74% | 0.74 | S | S | . | * | | | trans | -72.8 | 116.5 | 179.1 | 168.9 | 32.2 | 0 | 0 | 0 | 112.5 | R160 S161 | D158-R160 VanDerWaalsContact C-N 3.25Å; D158-R160 PolarHBondContact O-N 3.42Å; D158-R160 PolarHBondContact OD1-N 2.78Å; D158-S161 PolarHBondContact OD2-N 2.89Å; D158-S161 PolarHBondContact OD2-OG 2.56Å |
| 159 | P | 46.7 | Very low | 42 | Very low | 124 Ų | 124 | 126.1 Ų | 126.1 | 81% | 0.805 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 7.9 | -179.2 | 34.6 | -37.1 | 0 | 0 | 0 | 114.8 | S157 | S157-P159 VanDerWaalsContact O-CD 3.3Å; S157-P159 WeakPolarHBondContact O-CD 3.42Å |
| 160 | R | 48.1 | Very low | 42 | Very low | 219 Ų | 219 | 129.1 Ų | 129.1 | 83% | 0.826 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.6 | 1.2 | -173.7 | -74.2 | -172.5 | 169.4 | 177.6 | -1.2 | 117.1 | D158 P162 | D158-R160 VanDerWaalsContact C-N 3.25Å; D158-R160 PolarHBondContact O-N 3.42Å; D158-R160 PolarHBondContact OD1-N 2.78Å; R160-P162 WeakPolarHBondContact O-CD 3.29Å |
| 161 | S | 38 | Very low | 42.4 | Very low | 89 Ų | 89 | 133.4 Ų | 133.4 | 62% | 0.622 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 121.2 | 174.8 | -74.2 | 0 | 0 | 0 | 0 | 112.9 | D158 A163 | D158-S161 PolarHBondContact OD2-N 2.89Å; D158-S161 PolarHBondContact OD2-OG 2.56Å; S161-A163 PolarHBondContact O-N 2.93Å |
| 162 | P | 45.4 | Very low | 42.9 | Very low | 122 Ų | 122 | 133 Ų | 133 | 79% | 0.792 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -72 | 123.7 | 177 | -16.3 | 31.2 | 0 | 0 | 0 | 112 | R160 | R160-P162 WeakPolarHBondContact O-CD 3.29Š|
| 163 | A | 40.8 | Very low | 43.2 | Very low | 77 Ų | 77 | 132.5 Ų | 132.5 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 140.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S161 F165 | S161-A163 PolarHBondContact O-N 2.93Å; A163-F165 PolarHBondContact O-N 2.87Å |
| 164 | P | 40.8 | Very low | 43.1 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 79% | 0.792 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 122.9 | 178.2 | 27.9 | -34.1 | 0 | 0 | 0 | 111.5 | G166 | P164-G166 PolarHBondContact O-N 2.57Š|
| 165 | F | 43.6 | Very low | 43.2 | Very low | 199 Ų | 199 | 130.5 Ų | 130.5 | 87% | 0.873 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 113.1 | -179.4 | 0.6 | -91.8 | 0 | 0 | 0 | 110.7 | A163 | A163-F165 PolarHBondContact O-N 2.87Š|
| 166 | G | 46.5 | Very low | 43.4 | Very low | 79 Ų | 79 | 133 Ų | 133 | 81% | 0.814 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 158.2 | -10.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | P164 | P164-G166 PolarHBondContact O-N 2.57Š|
| 167 | Q | 43.2 | Very low | 43.4 | Very low | 155 Ų | 155 | 133.7 Ų | 133.7 | 72% | 0.724 | 72% | 0.723 | S | S | * | * | | | trans | -118.5 | 121.6 | -179.6 | -70.4 | -174 | -22.5 | 0 | 0 | 112.6 | H169 | Q167-H169 PolarHBondContact O-N 3.4Å; Q167-H169 PolarHBondContact OE1-NE2 3.47Å |
| 168 | Q | 44 | Very low | 43.7 | Very low | 190 Ų | 190 | 135.9 Ų | 135.9 | 89% | 0.888 | 73% | 0.732 | S | S | * | * | | | trans | -83.5 | 86.3 | 167.7 | -73.3 | -175.3 | -23.4 | 0 | 0 | 109.6 | | |
| 169 | H | 44.9 | Very low | 43.2 | Very low | 145 Ų | 145 | 136.7 Ų | 136.7 | 67% | 0.671 | 74% | 0.74 | S | S | * | * | | | trans | -84.1 | 130.9 | 168.7 | -75.7 | -73.9 | 0 | 0 | 0 | 110.5 | Q167 R171 | Q167-H169 PolarHBondContact O-N 3.4Å; Q167-H169 PolarHBondContact OE1-NE2 3.47Å; H169-R171 PolarHBondContact O-N 2.66Å |
| 170 | M | 36.2 | Very low | 43 | Very low | 179 Ų | 179 | 138.1 Ų | 138.1 | 88% | 0.882 | 74% | 0.736 | S | S | * | * | | | trans | -73 | 106 | 167.8 | -63.9 | -151.3 | -50.5 | 0 | 0 | 109.4 | T172 | M170-T172 PolarHBondContact O-N 3.44Å; M170-T172 VanDerWaalsContact O-N 3.13Å |
| 171 | R | 44.8 | Very low | 42.3 | Very low | 215 Ų | 215 | 132.1 Ų | 132.1 | 81% | 0.811 | 73% | 0.726 | S | S | * | * | | | trans | -85.4 | 77.5 | 176.2 | -168.4 | 175.7 | -176.3 | 169.5 | 2.8 | 110.8 | H169 Q173 | H169-R171 PolarHBondContact O-N 2.66Å; R171-Q173 PolarHBondContact O-N 2.91Å |
| 172 | T | 47.6 | Very low | 42.3 | Very low | 104 Ų | 104 | 132.4 Ų | 132.4 | 64% | 0.638 | 73% | 0.727 | S | S | * | * | | | trans | -59.1 | 119.4 | 164.4 | -51.7 | 0 | 0 | 0 | 0 | 108.4 | M170 V174 | M170-T172 PolarHBondContact O-N 3.44Å; M170-T172 VanDerWaalsContact O-N 3.13Å; T172-V174 HydrophobicContact CG2-CG2 4.03Å |
| 173 | Q | 45.3 | Very low | 41.7 | Very low | 105 Ų | 105 | 130.9 Ų | 130.9 | 49% | 0.491 | 72% | 0.72 | S | S | . | * | | | trans | -94.1 | 119.2 | 172.3 | -69.1 | 179 | -5.6 | 0 | 0 | 107.9 | R171 | R171-Q173 PolarHBondContact O-N 2.91Š|
| 174 | V | 36 | Very low | 41.5 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 68% | 0.679 | 72% | 0.719 | S | S | * | * | | | trans | -113.9 | 112.4 | 173.2 | -173.9 | 0 | 0 | 0 | 0 | 107.1 | T172 L176 | T172-V174 HydrophobicContact CG2-CG2 4.03Å; V174-L176 HydrophobicContact CG1-CD2 4.49Å; V174-L176 PolarHBondContact O-N 2.76Å |
| 175 | S | 41.8 | Very low | 41.1 | Very low | 91 Ų | 91 | 129.5 Ų | 129.5 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | | | trans | -79.2 | 108 | 168.1 | 43.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 176 | L | 41.8 | Very low | 41.1 | Very low | 160 Ų | 160 | 125.5 Ų | 125.5 | 84% | 0.838 | 71% | 0.711 | S | S | * | * | | | trans | -85.4 | 108.5 | 170.3 | -73.6 | 171.3 | 0 | 0 | 0 | 109 | V174 | V174-L176 HydrophobicContact CG1-CD2 4.49Å; V174-L176 PolarHBondContact O-N 2.76Å |
| 177 | E | 44.9 | Very low | 40.4 | Very low | 146 Ų | 146 | 126.5 Ų | 126.5 | 68% | 0.682 | 71% | 0.705 | S | S | * | * | | | trans | -100.3 | 134.7 | 168.4 | -168.7 | 158 | -171.3 | 0 | 0 | 109.1 | V450 | E177-V450 VanDerWaalsContact CD-CG2 3.49Å; E177-V450 HydrophobicContact CG-CG2 4.11Å; E177-V450 WeakPolarHBondContact OE2-CG2 3.4Å |
| 178 | V | 46.8 | Very low | 40.1 | Very low | 137 Ų | 137 | 123.6 Ų | 123.6 | 83% | 0.83 | 70% | 0.7 | S | S | * | * | | | trans | -92.7 | 112.4 | -167.2 | 179.7 | 0 | 0 | 0 | 0 | 110.3 | Q180 | V178-Q180 PolarHBondContact O-N 3.17Š|
| 179 | V | 40 | Very low | 39.9 | Very low | 100 Ų | 100 | 122.3 Ų | 122.3 | 61% | 0.606 | 70% | 0.696 | S | S | * | * | | | trans | -74.3 | 115.5 | 178 | -171 | 0 | 0 | 0 | 0 | 110.5 | C181 | V179-C181 PolarHBondContact O-N 3.13Š|
| 180 | Q | 42.2 | Very low | 40.1 | Very low | 155 Ų | 155 | 121.6 Ų | 121.6 | 72% | 0.724 | 70% | 0.701 | S | S | * | * | | | trans | -86.9 | 86.8 | 172.1 | -173.2 | 174.9 | -12.6 | 0 | 0 | 110.9 | V178 C182 | V178-Q180 PolarHBondContact O-N 3.17Å; Q180-C182 PolarHBondContact O-N 3.05Å |
| 181 | C | 34.2 | Very low | 40.4 | Very low | 92 Ų | 92 | 116.1 Ų | 116.1 | 62% | 0.622 | 68% | 0.68 | S | S | * | * | | | trans | -76 | 103.3 | 174.7 | -64.5 | 0 | 0 | 0 | 0 | 111.8 | V179 S183 | V179-C181 PolarHBondContact O-N 3.13Å; C181-S183 PolarHBondContact O-N 3.45Å |
| 182 | C | 36.9 | Very low | 40.4 | Very low | 95 Ų | 95 | 111.1 Ų | 111.1 | 64% | 0.642 | 68% | 0.675 | S | S | * | * | | | trans | -88.7 | 81.2 | 172.3 | -71.2 | 0 | 0 | 0 | 0 | 111.7 | Q180 A184 | Q180-C182 PolarHBondContact O-N 3.05Å; C182-A184 PolarHBondContact O-N 3.28Å |
| 183 | S | 32.7 | Very low | 40.3 | Very low | 91 Ų | 91 | 116.1 Ų | 116.1 | 64% | 0.636 | 69% | 0.691 | S | S | * | * | | | trans | -82.2 | 109.6 | 176.4 | -57.7 | 0 | 0 | 0 | 0 | 112 | C181 | C181-S183 PolarHBondContact O-N 3.45Š|
| 184 | A | 36.5 | Very low | 40.2 | Very low | 74 Ų | 74 | 113.8 Ų | 113.8 | 61% | 0.612 | 70% | 0.695 | S | S | * | * | | | trans | -100.3 | 101.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | C182 | C182-A184 PolarHBondContact O-N 3.28Š|
| 185 | A | 32.9 | Very low | 40.6 | Very low | 95 Ų | 95 | 116.4 Ų | 116.4 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | | | trans | -100.7 | 102.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | S187 | A185-S187 PolarHBondContact O-N 3.19Š|
| 186 | T | 43.5 | Very low | 40.8 | Very low | 116 Ų | 116 | 120 Ų | 120 | 71% | 0.712 | 71% | 0.712 | S | S | * | * | | | trans | -78.2 | 110.6 | 171.7 | 51.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 187 | S | 32.8 | Very low | 40.7 | Very low | 99 Ų | 99 | 117.6 Ų | 117.6 | 69% | 0.692 | 71% | 0.708 | S | S | * | * | | | trans | -55 | 141.4 | 170.2 | -168.8 | 0 | 0 | 0 | 0 | 110.4 | A185 M189 | A185-S187 PolarHBondContact O-N 3.19Å; S187-M189 PolarHBondContact O-N 3.04Å |
| 188 | P | 35.5 | Very low | 40.4 | Very low | 95 Ų | 95 | 118.2 Ų | 118.2 | 62% | 0.617 | 71% | 0.709 | S | S | * | * | | | trans | -65.2 | 100.1 | -177.9 | 26.7 | -35.2 | 0 | 0 | 0 | 111 | T190 | P188-T190 PolarHBondContact O-N 2.86Š|
| 189 | M | 39.7 | Very low | 40 | Very low | 163 Ų | 163 | 120.9 Ų | 120.9 | 80% | 0.803 | 71% | 0.71 | S | S | * | * | | | trans | -78.7 | 109.7 | 166.9 | -71.2 | -162.1 | 70.2 | 0 | 0 | 108.9 | S187 P191 | S187-M189 PolarHBondContact O-N 3.04Å; M189-P191 WeakPolarHBondContact O-CD 3.48Å |
| 190 | T | 50.8 | Low | 39.7 | Very low | 129 Ų | 129 | 125.3 Ų | 125.3 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 120 | 160.6 | -47.2 | 0 | 0 | 0 | 0 | 107.9 | P188 | P188-T190 PolarHBondContact O-N 2.86Š|
| 191 | P | 42.5 | Very low | 39.2 | Very low | 65 Ų | 65 | 123.3 Ų | 123.3 | 42% | 0.422 | 72% | 0.722 | S | S | . | * | P | Polyproline II helix | trans | -65.9 | 139.1 | 176.1 | 27.7 | -33.4 | 0 | 0 | 0 | 109.2 | M189 F198 | M189-P191 WeakPolarHBondContact O-CD 3.48Å; P191-F198 HydrophobicContact CB-CE2 4.16Å |
| 192 | P | 45 | Very low | 39.1 | Very low | 109 Ų | 109 | 125.9 Ų | 125.9 | 71% | 0.708 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 136.4 | 171 | 28.6 | -33.5 | 0 | 0 | 0 | 109.6 | G194 | P192-G194 PolarHBondContact O-N 3.45Š|
| 193 | E | 45 | Very low | 39.2 | Very low | 209 Ų | 209 | 128.5 Ų | 128.5 | 98% | 0.977 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -67.5 | 118.4 | -177.9 | -63.2 | 175.7 | 140.9 | 0 | 0 | 110.9 | | |
| 194 | G | 43.2 | Very low | 39.7 | Very low | 57 Ų | 57 | 132.9 Ų | 132.9 | 59% | 0.588 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 178.6 | 145.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | P192 H196 | P192-G194 PolarHBondContact O-N 3.45Å; G194-H196 PolarHBondContact O-N 2.8Å |
| 195 | D | 44.5 | Very low | 39.9 | Very low | 167 Ų | 167 | 132.9 Ų | 132.9 | 89% | 0.893 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -75.9 | 48.8 | -168.2 | -60.3 | -57.8 | 0 | 0 | 0 | 114.6 | | |
| 196 | H | 44.8 | Very low | 40.2 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | | | trans | -126.2 | 110.6 | -176.4 | -64.9 | -12.3 | 0 | 0 | 0 | 111 | G194 F198 | G194-H196 PolarHBondContact O-N 2.8Å; H196-F198 PolarHBondContact O-N 3.35Å |
| 197 | S | 40.8 | Very low | 39.8 | Very low | 110 Ų | 110 | 142.1 Ų | 142.1 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 120.8 | -177.6 | -48.4 | 0 | 0 | 0 | 0 | 111.9 | F199 | S197-F199 PolarHBondContact O-N 3.49Š|
| 198 | F | 38.4 | Very low | 39.8 | Very low | 159 Ų | 159 | 140.9 Ų | 140.9 | 70% | 0.697 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 121.4 | 174.6 | -95.3 | -100.3 | 0 | 0 | 0 | 111.1 | P191 H196 | P191-F198 HydrophobicContact CB-CE2 4.16Å; H196-F198 PolarHBondContact O-N 3.35Å |
| 199 | F | 38.5 | Very low | 39.8 | Very low | 193 Ų | 193 | 143.1 Ų | 143.1 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 122.1 | 166.8 | -82.5 | -97.6 | 0 | 0 | 0 | 109.8 | S197 | S197-F199 PolarHBondContact O-N 3.49Š|
| 200 | F | 33.2 | Very low | 39.3 | Very low | 193 Ų | 193 | 142.5 Ų | 142.5 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 129.1 | 170.5 | -73.2 | -89.2 | 0 | 0 | 0 | 110.4 | N202 | F200-N202 PolarHBondContact O-N 3.33Š|
| 201 | P | 32.8 | Very low | 38.8 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | | | trans | -67.2 | 104.2 | 173.2 | -19.8 | 32.9 | 0 | 0 | 0 | 110.8 | N203 | P201-N203 PolarHBondContact O-N 3.1Š|
| 202 | N | 31.9 | Very low | 38.3 | Very low | 146 Ų | 146 | 146 Ų | 146 | 78% | 0.781 | 80% | 0.804 | S | S | * | * | | | trans | -79 | 63.8 | -179.8 | -169.2 | 20.7 | 0 | 0 | 0 | 112.2 | F200 | F200-N202 PolarHBondContact O-N 3.33Š|
| 203 | N | 37.9 | Very low | 37.8 | Very low | 150 Ų | 150 | 145.2 Ų | 145.2 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | | | trans | -101.4 | 58.7 | 179.4 | -85 | 6 | 0 | 0 | 0 | 112 | P201 | P201-N203 PolarHBondContact O-N 3.1Š|
| 204 | F | 43.3 | Very low | 37.1 | Very low | 183 Ų | 183 | 141 Ų | 141 | 80% | 0.803 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -127.3 | 129.7 | 158.8 | -95.2 | -91 | 0 | 0 | 0 | 109.6 | | |
| 205 | G | 40.7 | Very low | 36.6 | Very low | 74 Ų | 74 | 142.9 Ų | 142.9 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | S | Bend | trans | 84.8 | 54.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 206 | K | 38.7 | Very low | 36.3 | Very low | 205 Ų | 205 | 140.2 Ų | 140.2 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | | | trans | -163.8 | 90.7 | 155.5 | -108.5 | 152.8 | -170.8 | 175.8 | 0 | 112.8 | | |
| 207 | H | 35.8 | Very low | 35.5 | Very low | 199 Ų | 199 | 136 Ų | 136 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | | | trans | -127.9 | 119.1 | 163.5 | -84.9 | -68.1 | 0 | 0 | 0 | 109.7 | | |
| 208 | G | 32 | Very low | 35.8 | Very low | 74 Ų | 74 | 136.7 Ų | 136.7 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | | | trans | 79.8 | 101.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 209 | V | 35.3 | Very low | 35.7 | Very low | 141 Ų | 141 | 137.9 Ų | 137.9 | 86% | 0.855 | 82% | 0.82 | S | S | * | * | | | | 170.3 | 120.7 | 110.3 | 157.9 | 0 | 0 | 0 | 0 | 107.8 | | |
| 210 | D | 30.5 | Very low | 35.9 | Very low | 150 Ų | 150 | 136.6 Ų | 136.6 | 80% | 0.802 | 82% | 0.822 | S | S | * | * | | | trans | -77 | 142.6 | 172.5 | -65.6 | -66.6 | 0 | 0 | 0 | 111.2 | V212 | D210-V212 PolarHBondContact O-N 3.39Å; D210-V212 VanDerWaalsContact O-N 3.16Å |
| 211 | P | 41 | Very low | 36.1 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | trans | -83.2 | 96.5 | -171.5 | 32.3 | -35.3 | 0 | 0 | 0 | 113 | | |
| 212 | V | 30.6 | Very low | 36.2 | Very low | 143 Ų | 143 | 135.1 Ų | 135.1 | 87% | 0.867 | 83% | 0.825 | S | S | * | * | | | trans | -124.9 | 120.1 | 157.1 | -179.2 | 0 | 0 | 0 | 0 | 108.8 | D210 | D210-V212 PolarHBondContact O-N 3.39Å; D210-V212 VanDerWaalsContact O-N 3.16Å |
| 213 | A | 35.6 | Very low | 36.7 | Very low | 92 Ų | 92 | 136.3 Ų | 136.3 | 76% | 0.76 | 83% | 0.83 | S | S | * | * | | | trans | -90.2 | 143 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 214 | S | 30 | Very low | 36.6 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 85% | 0.846 | 84% | 0.835 | S | S | * | * | | | trans | -171 | 141.2 | 131.6 | -86.5 | 0 | 0 | 0 | 0 | 114.6 | | |
| 215 | A | 31.7 | Very low | 36.2 | Very low | 95 Ų | 95 | 136.5 Ų | 136.5 | 79% | 0.785 | 84% | 0.838 | S | S | * | * | | | trans | 60.3 | 105.5 | 146.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 216 | A | 38.2 | Very low | 35.8 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 92% | 0.917 | 84% | 0.839 | S | S | * | * | | | | 55 | 104.1 | 125.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 217 | G | 27.8 | Very low | 35.8 | Very low | 77 Ų | 77 | 135 Ų | 135 | 79% | 0.794 | 84% | 0.835 | S | S | * | * | | | trans | -151.8 | 97.8 | 156.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 218 | T | 47.3 | Very low | 35.6 | Very low | 125 Ų | 125 | 133.5 Ų | 133.5 | 77% | 0.767 | 83% | 0.828 | S | S | * | * | | | trans | -68.5 | 141.1 | 170.5 | 48.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 219 | H | 37 | Very low | 35.7 | Very low | 183 Ų | 183 | 134 Ų | 134 | 85% | 0.847 | 82% | 0.816 | S | S | * | * | | | | -167.9 | 150.6 | 128 | -92.3 | -53.5 | 0 | 0 | 0 | 110.9 | | |
| 220 | D | 42.9 | Very low | 35.5 | Very low | 166 Ų | 166 | 135.4 Ų | 135.4 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | | | trans | -53 | 139.3 | 173.5 | -82.3 | -60.7 | 0 | 0 | 0 | 112.4 | | |
| 221 | A | 36.7 | Very low | 35.7 | Very low | 99 Ų | 99 | 136.3 Ų | 136.3 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | trans | -131 | 84.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 222 | E | 35.7 | Very low | 35.1 | Very low | 178 Ų | 178 | 135.2 Ų | 135.2 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | | | trans | -39.9 | 139.2 | 178.4 | -170.6 | 170.4 | -169 | 0 | 0 | 114.8 | Q224 | E222-Q224 PolarHBondContact O-N 3.49Š|
| 223 | L | 41.2 | Very low | 35.2 | Very low | 171 Ų | 171 | 133.7 Ų | 133.7 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | | | trans | -41.7 | 118 | -176.3 | -60.2 | 166.8 | 0 | 0 | 0 | 114 | | |
| 224 | Q | 36.8 | Very low | 35.1 | Very low | 193 Ų | 193 | 135.3 Ų | 135.3 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | | | trans | -94.3 | 135.3 | 164.4 | -68.6 | -167.1 | -2.5 | 0 | 0 | 111.3 | E222 | E222-Q224 PolarHBondContact O-N 3.49Š|
| 225 | V | 35.8 | Very low | 35.4 | Very low | 143 Ų | 143 | 134.3 Ų | 134.3 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | | | trans | -73 | 125.8 | -172.7 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | Q227 | V225-Q227 PolarHBondContact O-N 2.89Å; V225-Q227 VanDerWaalsContact O-N 3.12Å |
| 226 | G | 32.3 | Very low | 35.7 | Very low | 75 Ų | 75 | 135.8 Ų | 135.8 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | trans | -68.6 | 105.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q228 | G226-Q228 PolarHBondContact O-N 3.13Š|
| 227 | Q | 37.7 | Very low | 35.4 | Very low | 174 Ų | 174 | 135.6 Ų | 135.6 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | | | trans | -71.6 | 114.8 | 173.2 | -174.8 | 174.2 | 1.7 | 0 | 0 | 110.1 | V225 V229 | V225-Q227 PolarHBondContact O-N 2.89Å; V225-Q227 VanDerWaalsContact O-N 3.12Å; Q227-V229 HydrophobicContact CG-CG2 4.4Å; Q227-V229 PolarHBondContact O-N 3.22Å |
| 228 | Q | 31.6 | Very low | 35.7 | Very low | 166 Ų | 166 | 137.3 Ų | 137.3 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | trans | -76.1 | 109.6 | 176.6 | -171.1 | 172.1 | 5.3 | 0 | 0 | 109.7 | G226 | G226-Q228 PolarHBondContact O-N 3.13Š|
| 229 | V | 35.1 | Very low | 35.2 | Very low | 84 Ų | 84 | 138.7 Ų | 138.7 | 51% | 0.509 | 79% | 0.787 | S | S | . | * | | | trans | -100.4 | 114.7 | 177.3 | -176.9 | 0 | 0 | 0 | 0 | 109.5 | Q227 F231 | Q227-V229 HydrophobicContact CG-CG2 4.4Å; Q227-V229 PolarHBondContact O-N 3.22Å; V229-F231 HydrophobicContact CB-CD2 4.48Å; V229-F231 HydrophobicContact CB-CE2 3.83Å; V229-F231 HydrophobicContact CB-CZ 4.09Å; V229-F231 HydrophobicContact CG1-CD1 4.39Å; V229-F231 HydrophobicContact CG1-CD2 4.11Å; V229-F231 HydrophobicContact CG1-CE1 3.93Å; V229-F231 HydrophobicContact CG1-CE2 3.61Å; V229-F231 HydrophobicContact CG1-CG 4.48Å; V229-F231 HydrophobicContact CG1-CZ 3.51Å; V229-F231 WeakPolarHBondContact O-CD2 3.35Å |
| 230 | E | 30.5 | Very low | 35.5 | Very low | 171 Ų | 171 | 136.2 Ų | 136.2 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | | | trans | -87.9 | 116.9 | 175.3 | -173 | 171.7 | -164.8 | 0 | 0 | 110.5 | C232 | E230-C232 PolarHBondContact O-N 3.31Š|
| 231 | F | 33.4 | Very low | 35.1 | Very low | 170 Ų | 170 | 133.6 Ų | 133.6 | 75% | 0.746 | 78% | 0.778 | S | S | * | * | | | trans | -94.5 | 73 | -173.7 | -72.5 | -82.8 | 0 | 0 | 0 | 112.7 | V229 S233 | V229-F231 HydrophobicContact CB-CD2 4.48Å; V229-F231 HydrophobicContact CB-CE2 3.83Å; V229-F231 HydrophobicContact CB-CZ 4.09Å; V229-F231 HydrophobicContact CG1-CD1 4.39Å; V229-F231 HydrophobicContact CG1-CD2 4.11Å; V229-F231 HydrophobicContact CG1-CE1 3.93Å; V229-F231 HydrophobicContact CG1-CE2 3.61Å; V229-F231 HydrophobicContact CG1-CG 4.48Å; V229-F231 HydrophobicContact CG1-CZ 3.51Å; V229-F231 WeakPolarHBondContact O-CD2 3.35Å; F231-S233 PolarHBondContact O-N 3.48Å; F231-S233 PolarHBondContact O-OG 3.28Å |
| 232 | C | 30 | Very low | 35.2 | Very low | 102 Ų | 102 | 138.8 Ų | 138.8 | 69% | 0.689 | 78% | 0.782 | S | S | * | * | | | trans | -64.1 | 91.4 | 174.7 | -71.1 | 0 | 0 | 0 | 0 | 112.4 | E230 | E230-C232 PolarHBondContact O-N 3.31Š|
| 233 | S | 32 | Very low | 35.3 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | trans | -91 | 103 | -178.6 | -61.1 | 0 | 0 | 0 | 0 | 111.7 | F231 | F231-S233 PolarHBondContact O-N 3.48Å; F231-S233 PolarHBondContact O-OG 3.28Å |
| 234 | V | 33.9 | Very low | 35.2 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | | | trans | -95.9 | 105.8 | 179 | -176.2 | 0 | 0 | 0 | 0 | 110.7 | T236 | V234-T236 HydrophobicContact CG1-CG2 4.29Š|
| 235 | A | 35.5 | Very low | 35 | Very low | 100 Ų | 100 | 129.4 Ų | 129.4 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | | | trans | -95 | 91.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S237 | A235-S237 PolarHBondContact O-N 3.03Š|
| 236 | T | 37.6 | Very low | 35.1 | Very low | 125 Ų | 125 | 128.1 Ų | 128.1 | 77% | 0.767 | 76% | 0.761 | S | S | * | * | | | trans | -85.6 | 105.6 | 170.9 | 53.3 | 0 | 0 | 0 | 0 | 111 | V234 | V234-T236 HydrophobicContact CG1-CG2 4.29Š|
| 237 | S | 33.4 | Very low | 35.3 | Very low | 108 Ų | 108 | 130.2 Ų | 130.2 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 140.2 | 170.9 | -53.8 | 0 | 0 | 0 | 0 | 111.3 | A235 M239 | A235-S237 PolarHBondContact O-N 3.03Å; S237-M239 PolarHBondContact O-N 3.21Å |
| 238 | P | 33.3 | Very low | 35 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 128.7 | -178.2 | 27.7 | -34.3 | 0 | 0 | 0 | 111.7 | T240 | P238-T240 PolarHBondContact O-N 2.9Š|
| 239 | M | 37.1 | Very low | 35 | Very low | 153 Ų | 153 | 127.1 Ų | 127.1 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 120.4 | 171.1 | -68.7 | -179.4 | 67.8 | 0 | 0 | 110.4 | S237 P241 P509 | S237-M239 PolarHBondContact O-N 3.21Å; M239-P241 VanDerWaalsContact O-CD 3.31Å; M239-P241 WeakPolarHBondContact O-CD 3.43Å; M239-P509 HydrophobicContact CE-CG 4.16Å |
| 240 | T | 43.7 | Very low | 35.1 | Very low | 131 Ų | 131 | 128.8 Ų | 128.8 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | -84.1 | 113.9 | 171 | 31.7 | 0 | 0 | 0 | 0 | 111 | P238 K242 | P238-T240 PolarHBondContact O-N 2.9Å; T240-K242 PolarHBondContact O-N 3.12Å |
| 241 | P | 34 | Very low | 35.1 | Very low | 112 Ų | 112 | 127 Ų | 127 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | trans | -71.2 | 122.1 | 172.1 | 29.1 | -33 | 0 | 0 | 0 | 109.8 | M239 T243 | M239-P241 VanDerWaalsContact O-CD 3.31Å; M239-P241 WeakPolarHBondContact O-CD 3.43Å; P241-T243 PolarHBondContact O-N 2.73Å |
| 242 | K | 39.5 | Very low | 35 | Very low | 207 Ų | 207 | 127 Ų | 127 | 90% | 0.9 | 78% | 0.778 | S | S | * | * | | | trans | -72.7 | 97.5 | 173.8 | -75.2 | -176.5 | 176.5 | 177.9 | 0 | 110.4 | T240 | T240-K242 PolarHBondContact O-N 3.12Š|
| 243 | T | 37.7 | Very low | 35 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 66% | 0.656 | 78% | 0.782 | S | S | * | * | | | trans | -76.3 | 128.6 | 168.3 | 44.7 | 0 | 0 | 0 | 0 | 110.6 | P241 S245 | P241-T243 PolarHBondContact O-N 2.73Å; T243-S245 PolarHBondContact O-N 2.77Å |
| 244 | P | 37.3 | Very low | 35.1 | Very low | 132 Ų | 132 | 136.9 Ų | 136.9 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | | | trans | -79.9 | 70.8 | 174.5 | 32.8 | -34.5 | 0 | 0 | 0 | 110.6 | S246 | P244-S246 PolarHBondContact O-N 2.96Š|
| 245 | S | 32.9 | Very low | 34.9 | Very low | 107 Ų | 107 | 139 Ų | 139 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | | | trans | -73.9 | 86.4 | 179.9 | -66.6 | 0 | 0 | 0 | 0 | 112.2 | T243 | T243-S245 PolarHBondContact O-N 2.77Š|
| 246 | S | 39.3 | Very low | 34.7 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | | | trans | -140 | 85.9 | 162.1 | -167.7 | 0 | 0 | 0 | 0 | 110.8 | P244 | P244-S246 PolarHBondContact O-N 2.96Š|
| 247 | T | 35.4 | Very low | 34.2 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 72% | 0.724 | 79% | 0.794 | S | S | * | * | | | trans | -127.4 | 88.5 | 166.1 | 175.2 | 0 | 0 | 0 | 0 | 108.3 | F249 | T247-F249 PolarHBondContact O-N 2.65Š|
| 248 | A | 32.5 | Very low | 34.1 | Very low | 91 Ų | 91 | 142.6 Ų | 142.6 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | | | trans | -80.6 | 111.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | P250 | A248-P250 WeakPolarHBondContact O-CD 3.27Š|
| 249 | F | 30.1 | Very low | 34 | Very low | 185 Ų | 185 | 146.8 Ų | 146.8 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 123 | 176.1 | -71.3 | -89.3 | 0 | 0 | 0 | 110.6 | T247 V251 | T247-F249 PolarHBondContact O-N 2.65Å; F249-V251 PolarHBondContact O-N 3.45Å |
| 250 | P | 37 | Very low | 33.7 | Very low | 118 Ų | 118 | 148.6 Ų | 148.6 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 126.5 | 173.8 | 28.7 | -32.8 | 0 | 0 | 0 | 110 | A248 L252 | A248-P250 WeakPolarHBondContact O-CD 3.27Å; P250-L252 PolarHBondContact O-N 3.29Å |
| 251 | V | 32 | Very low | 32.9 | Very low | 133 Ų | 133 | 147.3 Ų | 147.3 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 118.2 | 174.2 | 174.8 | 0 | 0 | 0 | 0 | 109.4 | F249 K253 | F249-V251 PolarHBondContact O-N 3.45Å; V251-K253 PolarHBondContact O-N 3.42Å |
| 252 | L | 30 | Very low | 32.5 | Very low | 171 Ų | 171 | 147.2 Ų | 147.2 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | | | trans | -64.7 | 91 | 172.9 | -87.5 | 164.7 | 0 | 0 | 0 | 110.9 | P250 R254 | P250-L252 PolarHBondContact O-N 3.29Å; L252-R254 PolarHBondContact O-N 3.06Å |
| 253 | K | 30.4 | Very low | 31.8 | Very low | 178 Ų | 178 | 144.2 Ų | 144.2 | 77% | 0.774 | 81% | 0.807 | S | S | * | * | | | trans | -65.9 | 118 | 165.3 | -79.3 | -171.1 | 174.9 | -176 | 0 | 109.4 | V251 E255 | V251-K253 PolarHBondContact O-N 3.42Å; K253-E255 PolarHBondContact O-N 3.11Å; K253-E255 VanDerWaalsContact O-N 3.16Å |
| 254 | R | 34.8 | Very low | 31.3 | Very low | 242 Ų | 242 | 145.2 Ų | 145.2 | 91% | 0.913 | 81% | 0.813 | S | S | * | * | | | trans | -74.5 | 94.6 | 169.6 | -178.6 | -167.9 | -63.6 | 118.7 | -0.9 | 109.4 | L252 | L252-R254 PolarHBondContact O-N 3.06Š|
| 255 | E | 29.5 | Very low | 30.9 | Very low | 173 Ų | 173 | 145.1 Ų | 145.1 | 81% | 0.808 | 81% | 0.811 | S | S | * | * | | | trans | -108.5 | 143.4 | 165.2 | -74 | -169.9 | 140.6 | 0 | 0 | 111.2 | K253 | K253-E255 PolarHBondContact O-N 3.11Å; K253-E255 VanDerWaalsContact O-N 3.16Å |
| 256 | T | 31.3 | Very low | 30.6 | Very low | 135 Ų | 135 | 149.2 Ų | 149.2 | 83% | 0.828 | 82% | 0.815 | S | S | * | * | | | trans | -82.9 | 130.9 | -177.5 | 40.8 | 0 | 0 | 0 | 0 | 110.6 | Q258 | T256-Q258 PolarHBondContact O-N 3.32Š|
| 257 | G | 27 | Very low | 29.8 | Very low | 83 Ų | 83 | 148.8 Ų | 148.8 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | | | trans | -66.4 | 122.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 258 | Q | 32.3 | Very low | 29.3 | Very low | 190 Ų | 190 | 148.8 Ų | 148.8 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | | | trans | -112.5 | 113.4 | 160 | -81.2 | -158.7 | -9.7 | 0 | 0 | 112 | T256 | T256-Q258 PolarHBondContact O-N 3.32Š|
| 259 | K | 31.1 | Very low | 29.1 | Very low | 201 Ų | 201 | 152.6 Ų | 152.6 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | | | trans | -50.9 | 124.9 | 172.7 | 171.3 | -176.7 | -178.3 | 174.7 | 0 | 113.7 | | |
| 260 | K | 29.8 | Very low | 29 | Very low | 190 Ų | 190 | 151.2 Ų | 151.2 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | | | trans | -164.3 | 119.8 | 147.9 | -102.3 | 140.5 | -171.3 | 177.1 | 0 | 114.5 | | |
| 261 | S | 26.3 | Very low | 28.6 | Very low | 104 Ų | 104 | 150.4 Ų | 150.4 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | | | trans | 19.3 | 117.3 | 146 | 55.2 | 0 | 0 | 0 | 0 | 121.9 | | |
| 262 | C | 25.6 | Very low | 28.4 | Very low | 111 Ų | 111 | 149.2 Ų | 149.2 | 75% | 0.75 | 80% | 0.8 | S | S | * | * | | | | 34.5 | 121.5 | 115.1 | -171.3 | 0 | 0 | 0 | 0 | 120 | | |
| 263 | T | 26.6 | Very low | 28.5 | Very low | 144 Ų | 144 | 149.6 Ų | 149.6 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | | | | -163.6 | 159.8 | 115.2 | 12.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 264 | T | 25.6 | Very low | 28.5 | Very low | 127 Ų | 127 | 148.1 Ų | 148.1 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | | | trans | -103.4 | 135.1 | -176.5 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 265 | T | 29.1 | Very low | 28.2 | Very low | 131 Ų | 131 | 143.6 Ų | 143.6 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | 178.4 | 138.7 | 151.1 | 30.7 | 0 | 0 | 0 | 0 | 107.8 | | |
| 266 | K | 26.6 | Very low | 28.1 | Very low | 192 Ų | 192 | 143.5 Ų | 143.5 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | | | | 56.8 | 134.1 | 58.5 | -74.9 | -166.5 | 174.2 | -172.1 | 0 | 112.8 | | |
| 267 | C | 24 | Very low | 28.2 | Very low | 107 Ų | 107 | 141.6 Ų | 141.6 | 72% | 0.723 | 78% | 0.78 | S | S | * | * | | | cis | -122.4 | 166 | 0.8 | -76.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 268 | T | 24.7 | Very low | 28.5 | Very low | 118 Ų | 118 | 145.7 Ų | 145.7 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | | | | 62.2 | 138.4 | 61.5 | -14.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 269 | E | 28.1 | Very low | 28.6 | Very low | 172 Ų | 172 | 146.2 Ų | 146.2 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | 73.1 | 148.2 | 166 | -58.3 | -168.4 | 143.1 | 0 | 0 | 116.9 | | |
| 270 | E | 26.6 | Very low | 28.4 | Very low | 155 Ų | 155 | 143.3 Ų | 143.3 | 72% | 0.724 | 79% | 0.785 | S | S | * | * | | | cis | -158.9 | -180 | -8.7 | -116.2 | -63 | 106.6 | 0 | 0 | 111.8 | | |
| 271 | V | 28.6 | Very low | 28.5 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 61% | 0.612 | 78% | 0.781 | S | S | * | * | | | trans | -52.8 | 136.5 | -175.7 | 168.2 | 0 | 0 | 0 | 0 | 118.5 | | |
| 272 | S | 29.3 | Very low | 28.8 | Very low | 109 Ų | 109 | 143.2 Ų | 143.2 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | | | | -177 | 134.8 | 128.3 | 28.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 273 | K | 32.1 | Very low | 28.9 | Very low | 179 Ų | 179 | 142.8 Ų | 142.8 | 78% | 0.778 | 79% | 0.786 | S | S | * | * | | | cis | 74.2 | 143.7 | 44.7 | -82.9 | -166.2 | 173.7 | -178.1 | 0 | 115.4 | | |
| 274 | N | 30.7 | Very low | 29.2 | Very low | 146 Ų | 146 | 144 Ų | 144 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | | | trans | 75.6 | 152.3 | -178.8 | -40.8 | -18 | 0 | 0 | 0 | 114.7 | | |
| 275 | D | 27.4 | Very low | 29.3 | Very low | 147 Ų | 147 | 143.3 Ų | 143.3 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | | | | -162.7 | 171.5 | -50.3 | -126.7 | -55.1 | 0 | 0 | 0 | 110.3 | | |
| 276 | E | 28.3 | Very low | 29.5 | Very low | 171 Ų | 171 | 142.4 Ų | 142.4 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | | | trans | 36.5 | 113.9 | 151.3 | -163.3 | 167.5 | 163.4 | 0 | 0 | 121.9 | | |
| 277 | S | 32.9 | Very low | 29.7 | Very low | 96 Ų | 96 | 143.6 Ų | 143.6 | 67% | 0.671 | 79% | 0.787 | S | S | * | * | | | trans | 51.2 | 134 | 136.4 | -159.6 | 0 | 0 | 0 | 0 | 122.2 | | |
| 278 | L | 32.5 | Very low | 30.2 | Very low | 169 Ų | 169 | 147 Ų | 147 | 89% | 0.885 | 79% | 0.792 | S | S | * | * | | | | -166.1 | 133.2 | 119.5 | -106 | 163.6 | 0 | 0 | 0 | 112.3 | | |
| 279 | K | 35.1 | Very low | 30.4 | Very low | 200 Ų | 200 | 145.9 Ų | 145.9 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | | | trans | -86.5 | 139.3 | 164.8 | -73.1 | 176.9 | 178.5 | 172.6 | 0 | 109.7 | | |
| 280 | C | 26.9 | Very low | 30.7 | Very low | 141 Ų | 141 | 144.1 Ų | 144.1 | 95% | 0.953 | 79% | 0.79 | S | S | * | * | | | trans | -151.5 | 161.7 | 147 | -143 | 0 | 0 | 0 | 0 | 110.1 | | |
| 281 | A | 31.3 | Very low | 30.7 | Very low | 92 Ų | 92 | 140 Ų | 140 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | | | trans | -141.2 | 149.1 | -164.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 282 | K | 32.8 | Very low | 30.8 | Very low | 200 Ų | 200 | 140.8 Ų | 140.8 | 87% | 0.87 | 80% | 0.799 | S | S | * | * | | | trans | 64.6 | 123.5 | 144.4 | -172.5 | 176.9 | -173.7 | 173.2 | 0 | 118.8 | | |
| 283 | S | 27.9 | Very low | 30.9 | Very low | 102 Ų | 102 | 140.2 Ų | 140.2 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | | | trans | -175 | 131.1 | 138.7 | -87.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 284 | L | 33.3 | Very low | 31.1 | Very low | 168 Ų | 168 | 138.1 Ų | 138.1 | 88% | 0.88 | 80% | 0.797 | S | S | * | * | | | trans | 65.2 | 153.4 | 138.9 | -60.4 | 175.3 | 0 | 0 | 0 | 119.3 | | |
| 285 | S | 27.4 | Very low | 31.3 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | | | cis | -155.4 | 167 | -10.8 | -173 | 0 | 0 | 0 | 0 | 110.3 | | |
| 286 | S | 33.4 | Very low | 31.3 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | | | trans | -102.2 | 163.3 | -177.1 | -48.9 | 0 | 0 | 0 | 0 | 115.5 | | |
| 287 | Y | 30.6 | Very low | 31.4 | Very low | 218 Ų | 218 | 133.5 Ų | 133.5 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | | | trans | -151.9 | 120.9 | 139 | 63.6 | -90.9 | 0 | 0 | 0 | 107.5 | | |
| 288 | E | 33.8 | Very low | 31.2 | Very low | 177 Ų | 177 | 132.9 Ų | 132.9 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | | | | 66.8 | 133.9 | 84.8 | -69.8 | -135.8 | 125.1 | 0 | 0 | 114.8 | | |
| 289 | S | 30.5 | Very low | 31 | Very low | 96 Ų | 96 | 131.5 Ų | 131.5 | 67% | 0.671 | 80% | 0.803 | S | S | * | * | | | cis | -155.8 | -173.7 | -8.8 | -159.7 | 0 | 0 | 0 | 0 | 107 | | |
| 290 | V | 32.4 | Very low | 30.5 | Very low | 135 Ų | 135 | 126.6 Ų | 126.6 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | cis | -155.9 | 160.4 | 24.4 | 178.6 | 0 | 0 | 0 | 0 | 105.9 | | |
| 291 | G | 28.4 | Very low | 30.7 | Very low | 68 Ų | 68 | 126.2 Ų | 126.2 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | | | cis | 148 | -154.9 | 0.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 292 | S | 29 | Very low | 30.7 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | 64.8 | 55.7 | 168.2 | -156.2 | 0 | 0 | 0 | 0 | 121.3 | | |
| 293 | S | 32.5 | Very low | 30.6 | Very low | 97 Ų | 97 | 128.1 Ų | 128.1 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | | | trans | 15.3 | 141.1 | 132 | -53.1 | 0 | 0 | 0 | 0 | 124.2 | | |
| 294 | T | 35.4 | Very low | 30.5 | Very low | 136 Ų | 136 | 127 Ų | 127 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | | | trans | 65.4 | 156.6 | 139.1 | 53.4 | 0 | 0 | 0 | 0 | 119.1 | | |
| 295 | S | 34.9 | Very low | 30.3 | Very low | 119 Ų | 119 | 124.8 Ų | 124.8 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | | | cis | -172.3 | 170.9 | -7.2 | 43.2 | 0 | 0 | 0 | 0 | 107.8 | | |
| 296 | G | 27.4 | Very low | 30.4 | Very low | 71 Ų | 71 | 129 Ų | 129 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | | | cis | 160.5 | 174.8 | -0.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 297 | L | 31 | Very low | 30.2 | Very low | 176 Ų | 176 | 131.8 Ų | 131.8 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | | | trans | 62.4 | 102.7 | 171.2 | -141.5 | 80.9 | 0 | 0 | 0 | 120.7 | | |
| 298 | A | 28.3 | Very low | 30.2 | Very low | 84 Ų | 84 | 127.8 Ų | 127.8 | 69% | 0.694 | 80% | 0.795 | S | S | * | * | | | trans | 55 | 145.1 | 133.1 | 0 | 0 | 0 | 0 | 0 | 125.7 | | |
| 299 | T | 27.7 | Very low | 30.1 | Very low | 139 Ų | 139 | 124.1 Ų | 124.1 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | | | trans | 102.5 | 145.1 | 143.8 | -28.2 | 0 | 0 | 0 | 0 | 119.5 | | |
| 300 | A | 26.5 | Very low | 30.6 | Very low | 98 Ų | 98 | 124.7 Ų | 124.7 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | | | trans | 93.1 | 136.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 301 | V | 31.2 | Very low | 30.9 | Very low | 133 Ų | 133 | 127.1 Ų | 127.1 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | | | trans | -106.5 | 138.5 | 176 | 168 | 0 | 0 | 0 | 0 | 109.1 | | |
| 302 | T | 31.1 | Very low | 31.3 | Very low | 142 Ų | 142 | 131.8 Ų | 131.8 | 87% | 0.871 | 80% | 0.795 | S | S | * | * | | | trans | -139.6 | 150.8 | 151.9 | 35.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 303 | Q | 29.4 | Very low | 31.6 | Very low | 189 Ų | 189 | 132.1 Ų | 132.1 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | | | trans | -83.6 | 149.5 | -175.7 | -64.7 | 161.6 | -70.5 | 0 | 0 | 111.8 | | |
| 304 | G | 27.1 | Very low | 31.9 | Very low | 78 Ų | 78 | 133.1 Ų | 133.1 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | trans | -148.4 | 89 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 305 | T | 28.2 | Very low | 32.2 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | | | trans | -68.6 | 130.1 | 179.9 | -48.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 306 | F | 30.1 | Very low | 32.5 | Very low | 203 Ų | 203 | 138.2 Ų | 138.2 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | | | trans | -143.6 | 153.6 | 151.6 | -133.9 | -93.3 | 0 | 0 | 0 | 110.1 | | |
| 307 | E | 29.1 | Very low | 33.1 | Very low | 168 Ų | 168 | 146.4 Ų | 146.4 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | | | trans | -67.8 | 148.4 | -159.6 | -66.1 | -95.4 | 104.1 | 0 | 0 | 114.7 | | |
| 308 | D | 30 | Very low | 33.6 | Very low | 134 Ų | 134 | 146.1 Ų | 146.1 | 72% | 0.717 | 80% | 0.804 | S | S | * | * | | | trans | -64.8 | 139.8 | 163.4 | 175.3 | 31 | 0 | 0 | 0 | 110.5 | | |
| 309 | S | 32.6 | Very low | 34.4 | Very low | 101 Ų | 101 | 145.2 Ų | 145.2 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | | | trans | -138.9 | 97 | 171 | -158.9 | 0 | 0 | 0 | 0 | 109.4 | Q311 | S309-Q311 PolarHBondContact O-N 3.09Š|
| 310 | T | 39.7 | Very low | 35.3 | Very low | 108 Ų | 108 | 143.3 Ų | 143.3 | 66% | 0.663 | 80% | 0.795 | S | S | * | * | | | trans | -65.4 | 84 | -174.5 | 30.8 | 0 | 0 | 0 | 0 | 112.8 | Q312 | T310-Q312 PolarHBondContact O-N 2.98Š|
| 311 | Q | 39.3 | Very low | 36.5 | Very low | 186 Ų | 186 | 146 Ų | 146 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | | | trans | -73.1 | 93.5 | 164.8 | -70.7 | -163.6 | 0.9 | 0 | 0 | 110.2 | S309 C313 | S309-Q311 PolarHBondContact O-N 3.09Å; Q311-C313 PolarHBondContact O-N 2.89Å; Q311-C313 VanDerWaalsContact O-N 3.17Å |
| 312 | Q | 36.3 | Very low | 37.4 | Very low | 165 Ų | 165 | 146.2 Ų | 146.2 | 77% | 0.771 | 79% | 0.79 | S | S | * | * | | | trans | -61.2 | 114.1 | 172.5 | -63.8 | 179.7 | -2.3 | 0 | 0 | 109.9 | T310 T314 | T310-Q312 PolarHBondContact O-N 2.98Å; Q312-T314 PolarHBondContact O-N 2.84Å |
| 313 | C | 35.3 | Very low | 38.5 | Very low | 124 Ų | 124 | 146.7 Ų | 146.7 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | | | trans | -69.5 | 99.8 | 169.6 | -174.2 | 0 | 0 | 0 | 0 | 108.9 | Q311 Q315 | Q311-C313 PolarHBondContact O-N 2.89Å; Q311-C313 VanDerWaalsContact O-N 3.17Å; C313-Q315 VanDerWaalsContact C-N 3.33Å; C313-Q315 PolarHBondContact O-N 3.43Å |
| 314 | T | 38.5 | Very low | 39.4 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 73% | 0.73 | 78% | 0.779 | S | S | * | * | | | trans | -73.2 | 85.7 | 178.6 | 40.7 | 0 | 0 | 0 | 0 | 110.4 | Q312 Q316 | Q312-T314 PolarHBondContact O-N 2.84Å; T314-Q316 PolarHBondContact O-N 3.11Å |
| 315 | Q | 42.1 | Very low | 40.5 | Very low | 186 Ų | 186 | 148.2 Ų | 148.2 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | | | trans | -56 | 112.7 | 174.2 | -169.7 | 175.8 | 99.1 | 0 | 0 | 109.5 | C313 R317 | C313-Q315 VanDerWaalsContact C-N 3.33Å; C313-Q315 PolarHBondContact O-N 3.43Å; Q315-R317 PolarHBondContact O-N 2.91Å |
| 316 | Q | 41.4 | Very low | 41.6 | Very low | 176 Ų | 176 | 147.7 Ų | 147.7 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | | | trans | -65.4 | 111 | -175.9 | -77.8 | -174.1 | -21.6 | 0 | 0 | 110.5 | T314 M318 | T314-Q316 PolarHBondContact O-N 3.11Å; Q316-M318 PolarHBondContact O-N 2.93Å |
| 317 | R | 40.9 | Very low | 42.8 | Very low | 243 Ų | 243 | 144.7 Ų | 144.7 | 92% | 0.917 | 77% | 0.765 | S | S | * | * | | | trans | -68.6 | 99.5 | 171.8 | -170.1 | -179.2 | -160.3 | 156 | 5.2 | 108.6 | Q315 G319 | Q315-R317 PolarHBondContact O-N 2.91Å; R317-G319 PolarHBondContact O-N 2.9Å; R317-G319 VanDerWaalsContact O-N 3.12Å |
| 318 | M | 41.9 | Very low | 44 | Very low | 169 Ų | 169 | 143.2 Ų | 143.2 | 83% | 0.833 | 76% | 0.762 | S | S | * | * | | | trans | -54.9 | 117.7 | 171.1 | -67.3 | -65.2 | -72.2 | 0 | 0 | 108.8 | Q316 | Q316-M318 PolarHBondContact O-N 2.93Š|
| 319 | G | 43.4 | Very low | 45 | Very low | 65 Ų | 65 | 142 Ų | 142 | 67% | 0.67 | 76% | 0.759 | S | S | * | * | | | trans | -69.1 | 153.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R317 M321 | R317-G319 PolarHBondContact O-N 2.9Å; R317-G319 VanDerWaalsContact O-N 3.12Å; G319-M321 PolarHBondContact O-N 3.44Å; G319-M321 VanDerWaalsContact O-N 3.11Å |
| 320 | S | 47.1 | Very low | 45.8 | Very low | 99 Ų | 99 | 142.3 Ų | 142.3 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | | | trans | -62.7 | 110.9 | 164.6 | 45.6 | 0 | 0 | 0 | 0 | 108.6 | D322 | S320-D322 VanDerWaalsContact C-N 3.27Å; S320-D322 PolarHBondContact O-N 3.21Å |
| 321 | M | 50.8 | Low | 46 | Very low | 156 Ų | 156 | 145.4 Ų | 145.4 | 77% | 0.768 | 76% | 0.763 | S | S | * | * | | | trans | -81 | 82.8 | 171.9 | -172 | 104.1 | 75 | 0 | 0 | 108 | G319 Q323 | G319-M321 PolarHBondContact O-N 3.44Å; G319-M321 VanDerWaalsContact O-N 3.11Å; M321-Q323 HydrophobicContact CG-CG 4.15Å; M321-Q323 PolarHBondContact O-N 2.95Å; M321-Q323 VanDerWaalsContact O-N 3.08Å |
| 322 | D | 51.1 | Low | 45.9 | Very low | 136 Ų | 136 | 147 Ų | 147 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | trans | -62 | 109.9 | 176.6 | -60 | -32.9 | 0 | 0 | 0 | 108.7 | S320 | S320-D322 VanDerWaalsContact C-N 3.27Å; S320-D322 PolarHBondContact O-N 3.21Å |
| 323 | Q | 54 | Low | 46.1 | Very low | 152 Ų | 152 | 141.7 Ų | 141.7 | 71% | 0.71 | 75% | 0.753 | S | S | * | * | | | trans | -107.9 | 103.5 | -177.4 | -80 | 171.7 | 77.8 | 0 | 0 | 109.4 | M321 I325 | M321-Q323 HydrophobicContact CG-CG 4.15Å; M321-Q323 PolarHBondContact O-N 2.95Å; M321-Q323 VanDerWaalsContact O-N 3.08Å; Q323-I325 PolarHBondContact O-N 3.31Å |
| 324 | D | 49.1 | Very low | 46.7 | Very low | 152 Ų | 152 | 142.5 Ų | 142.5 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | | | trans | -66.8 | 95.7 | 173.8 | -72.7 | -42.9 | 0 | 0 | 0 | 110.8 | T326 | D324-T326 VanDerWaalsContact C-N 3.31Å; D324-T326 PolarHBondContact O-N 2.88Å; D324-T326 PolarHBondContact O-OG1 2.97Å |
| 325 | I | 50.8 | Low | 46.6 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | | | trans | -71.5 | 87.8 | 177.4 | -54.1 | -178.2 | 0 | 0 | 0 | 109.3 | Q323 I327 | Q323-I325 PolarHBondContact O-N 3.31Å; I325-I327 HydrophobicContact CG2-CG1 4.23Å; I325-I327 PolarHBondContact O-N 3.44Å; I325-I327 VanDerWaalsContact O-N 3.12Å |
| 326 | T | 50.7 | Low | 47 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 69% | 0.687 | 75% | 0.745 | S | S | * | * | | | trans | -75.5 | 98.6 | 177.7 | -54.3 | 0 | 0 | 0 | 0 | 109.9 | D324 L328 | D324-T326 VanDerWaalsContact C-N 3.31Å; D324-T326 PolarHBondContact O-N 2.88Å; D324-T326 PolarHBondContact O-OG1 2.97Å; T326-L328 HydrophobicContact CG2-CD1 4.05Å; T326-L328 PolarHBondContact O-N 2.87Å |
| 327 | I | 55.6 | Low | 47.3 | Very low | 140 Ų | 140 | 141.3 Ų | 141.3 | 72% | 0.718 | 74% | 0.744 | S | S | * | * | | | trans | -79.7 | 105.5 | 176.5 | -56.2 | 177.6 | 0 | 0 | 0 | 109.5 | I325 V329 | I325-I327 HydrophobicContact CG2-CG1 4.23Å; I325-I327 PolarHBondContact O-N 3.44Å; I325-I327 VanDerWaalsContact O-N 3.12Å; I327-V329 PolarHBondContact O-N 2.91Å |
| 328 | L | 52.8 | Low | 47.9 | Very low | 138 Ų | 138 | 139.2 Ų | 139.2 | 72% | 0.723 | 75% | 0.745 | S | S | * | * | | | trans | -77.2 | 114.2 | 170 | -78.7 | 80.8 | 0 | 0 | 0 | 109.9 | T326 T330 | T326-L328 HydrophobicContact CG2-CD1 4.05Å; T326-L328 PolarHBondContact O-N 2.87Å; L328-T330 PolarHBondContact O-N 3.07Å |
| 329 | V | 51.6 | Low | 47.7 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 66% | 0.655 | 74% | 0.742 | S | S | * | * | | | trans | -85.2 | 89.7 | 171.9 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | I327 H331 | I327-V329 PolarHBondContact O-N 2.91Å; V329-H331 PolarHBondContact O-N 3.48Å |
| 330 | T | 49.3 | Very low | 47.4 | Very low | 107 Ų | 107 | 142.1 Ų | 142.1 | 66% | 0.656 | 76% | 0.755 | S | S | * | * | | | trans | -75.4 | 99.7 | 172 | 32.3 | 0 | 0 | 0 | 0 | 110.8 | L328 Y332 | L328-T330 PolarHBondContact O-N 3.07Å; T330-Y332 PolarHBondContact O-N 2.86Å |
| 331 | H | 43.8 | Very low | 46.8 | Very low | 174 Ų | 174 | 143 Ų | 143 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | | | trans | -68.7 | 96.8 | 167.5 | -76.2 | -84.3 | 0 | 0 | 0 | 110.3 | V329 G333 | V329-H331 PolarHBondContact O-N 3.48Å; H331-G333 PolarHBondContact O-N 3.34Å; H331-G333 VanDerWaalsContact O-N 3.08Å |
| 332 | Y | 36.9 | Very low | 45.8 | Very low | 218 Ų | 218 | 142.7 Ų | 142.7 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | | | trans | -65.8 | 102.5 | 163.4 | -87.5 | -93.9 | 0 | 0 | 0 | 109.4 | T330 | T330-Y332 PolarHBondContact O-N 2.86Š|
| 333 | G | 40.7 | Very low | 45 | Very low | 55 Ų | 55 | 146.1 Ų | 146.1 | 57% | 0.567 | 77% | 0.766 | S | S | * | * | | | trans | -94.8 | 124.6 | 160.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | H331 N335 | H331-G333 PolarHBondContact O-N 3.34Å; H331-G333 VanDerWaalsContact O-N 3.08Å; G333-N335 PolarHBondContact O-N 2.93Å |
| 334 | N | 47.2 | Very low | 44 | Very low | 141 Ų | 141 | 146.6 Ų | 146.6 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | | | trans | -58.2 | 112.2 | 168.2 | -85.4 | 48.3 | 0 | 0 | 0 | 109.5 | | |
| 335 | N | 37.8 | Very low | 42.9 | Very low | 137 Ų | 137 | 145.5 Ų | 145.5 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | | | trans | -134.9 | 109.4 | 156.5 | -66.8 | -89.7 | 0 | 0 | 0 | 105.3 | G333 E337 | G333-N335 PolarHBondContact O-N 2.93Å; N335-E337 VanDerWaalsContact C-N 3.35Å; N335-E337 PolarHBondContact O-N 3.13Å; N335-E337 VanDerWaalsContact O-N 3.09Å |
| 336 | D | 49.5 | Very low | 42 | Very low | 146 Ų | 146 | 146.4 Ų | 146.4 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | | | trans | -82 | 81 | -178.5 | -57.8 | -72.8 | 0 | 0 | 0 | 109.2 | | |
| 337 | E | 49.2 | Very low | 41.2 | Very low | 172 Ų | 172 | 149.1 Ų | 149.1 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | -133.1 | 124.3 | 176.5 | -65.2 | -70.5 | 177.6 | 0 | 0 | 109.4 | N335 | N335-E337 VanDerWaalsContact C-N 3.35Å; N335-E337 PolarHBondContact O-N 3.13Å; N335-E337 VanDerWaalsContact O-N 3.09Å |
| 338 | E | 51.6 | Low | 40.4 | Very low | 200 Ų | 200 | 148.4 Ų | 148.4 | 94% | 0.935 | 78% | 0.782 | S | S | * | * | | | trans | -79 | 134.3 | -170.7 | -61.7 | -178.6 | 144.7 | 0 | 0 | 112.7 | | |
| 339 | A | 38.4 | Very low | 39.3 | Very low | 95 Ų | 95 | 147.8 Ų | 147.8 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | trans | -149.8 | 79.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S341 | A339-S341 PolarHBondContact O-N 2.94Š|
| 340 | E | 37.5 | Very low | 38.1 | Very low | 200 Ų | 200 | 150 Ų | 150 | 94% | 0.935 | 79% | 0.785 | S | S | * | * | | | trans | -63.5 | 132 | 170.3 | -65.6 | -165.3 | 129 | 0 | 0 | 111.2 | | |
| 341 | S | 34.5 | Very low | 37.3 | Very low | 118 Ų | 118 | 151.1 Ų | 151.1 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | | | trans | -124.2 | 81.4 | 177 | -165.3 | 0 | 0 | 0 | 0 | 111.9 | A339 | A339-S341 PolarHBondContact O-N 2.94Š|
| 342 | H | 30.5 | Very low | 37 | Very low | 148 Ų | 148 | 151.9 Ų | 151.9 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | | | trans | 47.5 | 90.8 | 148.5 | -137.3 | -46.6 | 0 | 0 | 0 | 118.5 | Q344 | H342-Q344 PolarHBondContact CE1-NE2 2.93Š|
| 343 | F | 32.6 | Very low | 36.7 | Very low | 208 Ų | 208 | 148 Ų | 148 | 91% | 0.912 | 79% | 0.791 | S | S | * | * | | | trans | -66.4 | 151.9 | 153.7 | -83 | -89.3 | 0 | 0 | 0 | 111 | | |
| 344 | Q | 33.3 | Very low | 36.5 | Very low | 163 Ų | 163 | 154 Ų | 154 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | | | trans | -154.7 | 103.6 | 168.9 | -124 | 170.9 | 17.7 | 0 | 0 | 111.9 | H342 | H342-Q344 PolarHBondContact CE1-NE2 2.93Š|
| 345 | T | 27.4 | Very low | 36 | Very low | 128 Ų | 128 | 156 Ų | 156 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | | | trans | -156 | 102.4 | 161.1 | -69.2 | 0 | 0 | 0 | 0 | 110 | | |
| 346 | L | 30.5 | Very low | 35.7 | Very low | 167 Ų | 167 | 155.6 Ų | 155.6 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | | | trans | 56.7 | 129.9 | 150.4 | -56.8 | 174.7 | 0 | 0 | 0 | 120.7 | | |
| 347 | E | 34.9 | Very low | 35.1 | Very low | 169 Ų | 169 | 155.5 Ų | 155.5 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | | | trans | -63.8 | 163.7 | 171.9 | -142 | -176.4 | -171.9 | 0 | 0 | 112.8 | | |
| 348 | P | 37.6 | Very low | 34.4 | Very low | 125 Ų | 125 | 155.3 Ų | 155.3 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | | | | -138.8 | 141.9 | 99.1 | 37.2 | -26 | 0 | 0 | 0 | 116.2 | | |
| 349 | D | 29.8 | Very low | 33.4 | Very low | 124 Ų | 124 | 148.8 Ų | 148.8 | 66% | 0.663 | 79% | 0.789 | S | S | * | * | | | trans | -25.3 | 135.7 | 159.5 | 175.4 | 37.1 | 0 | 0 | 0 | 116.3 | | |
| 350 | M | 27.2 | Very low | 33.3 | Very low | 155 Ų | 155 | 153.1 Ų | 153.1 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | | | | 174.4 | 137 | 122.5 | -95.5 | -170 | 73 | 0 | 0 | 116.1 | | |
| 351 | V | 31.5 | Very low | 33.3 | Very low | 130 Ų | 130 | 152 Ų | 152 | 79% | 0.788 | 79% | 0.788 | S | S | * | * | | | trans | 77.7 | 143.5 | 163.3 | -163.2 | 0 | 0 | 0 | 0 | 119.1 | | |
| 352 | K | 38 | Very low | 33.4 | Very low | 191 Ų | 191 | 153.2 Ų | 153.2 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | | | trans | -107.4 | 148.6 | 177.6 | -55.6 | 175.1 | 177.2 | -177.4 | 0 | 113.3 | | |
| 353 | T | 31.6 | Very low | 34 | Very low | 135 Ų | 135 | 153.4 Ų | 153.4 | 83% | 0.828 | 79% | 0.79 | S | S | * | * | | | trans | -168.5 | 125.5 | 139.5 | 28.6 | 0 | 0 | 0 | 0 | 104.7 | | |
| 354 | E | 36.1 | Very low | 34.2 | Very low | 181 Ų | 181 | 147.6 Ų | 147.6 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | | | cis | 73.5 | 147.2 | 45.1 | -156.4 | 159.7 | -120.1 | 0 | 0 | 112.8 | | |
| 355 | E | 36.9 | Very low | 34.2 | Very low | 183 Ų | 183 | 146.4 Ų | 146.4 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | | | trans | 77.1 | 113.7 | -155.7 | -55.4 | 179.1 | -166.8 | 0 | 0 | 112.4 | | |
| 356 | T | 30 | Very low | 34.4 | Very low | 130 Ų | 130 | 145.7 Ų | 145.7 | 80% | 0.798 | 77% | 0.77 | S | S | * | * | | | cis | 79.7 | 103.6 | 18.5 | -41 | 0 | 0 | 0 | 0 | 115.4 | | |
| 357 | E | 37.8 | Very low | 34.8 | Very low | 144 Ų | 144 | 146.4 Ų | 146.4 | 67% | 0.673 | 77% | 0.766 | S | S | * | * | | | | 169.7 | 148.9 | 101.8 | -142.1 | -168.6 | -171 | 0 | 0 | 113 | | |
| 358 | K | 33.8 | Very low | 34.8 | Very low | 168 Ų | 168 | 142.3 Ų | 142.3 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | | | trans | 52.6 | 146 | 160.6 | -73.9 | 155.8 | -169.2 | 149.8 | 0 | 120.4 | | |
| 359 | G | 30.7 | Very low | 34.7 | Very low | 62 Ų | 62 | 143.7 Ų | 143.7 | 64% | 0.639 | 75% | 0.751 | S | S | * | * | | | cis | 155.7 | 157 | -6.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 360 | E | 36.6 | Very low | 34.9 | Very low | 187 Ų | 187 | 143 Ų | 143 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | | | trans | 65.7 | 141.6 | 159.6 | -71.7 | 160 | 178.2 | 0 | 0 | 117 | | |
| 361 | E | 37.8 | Very low | 35.5 | Very low | 175 Ų | 175 | 145.3 Ų | 145.3 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | | | cis | -155 | 179.8 | -3.7 | 50.9 | 179.6 | 153.3 | 0 | 0 | 113.9 | | |
| 362 | N | 37.6 | Very low | 35.6 | Very low | 145 Ų | 145 | 148.4 Ų | 148.4 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | | | trans | -61.2 | -179.5 | -173.9 | -49.3 | -88 | 0 | 0 | 0 | 113.7 | | |
| 363 | I | 42.1 | Very low | 35.2 | Very low | 152 Ų | 152 | 142.9 Ų | 142.9 | 78% | 0.779 | 75% | 0.748 | S | S | * | * | | | cis | -156.4 | 116.5 | 31.8 | -58.1 | 170 | 0 | 0 | 0 | 107 | | |
| 364 | S | 37.7 | Very low | 35.3 | Very low | 85 Ų | 85 | 142.6 Ų | 142.6 | 59% | 0.594 | 75% | 0.752 | S | S | * | * | | | | 72.1 | 134.8 | 80.1 | 113.3 | 0 | 0 | 0 | 0 | 118.4 | | |
| 365 | N | 33.1 | Very low | 35.2 | Very low | 138 Ų | 138 | 138 Ų | 138 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | | | trans | 76.1 | 152.5 | 154.7 | -67.6 | -35 | 0 | 0 | 0 | 121 | | |
| 366 | T | 31.8 | Very low | 34.8 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | | | cis | 164.9 | 169.6 | -41.2 | 42.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 367 | K | 37.7 | Very low | 34.8 | Very low | 182 Ų | 182 | 136 Ų | 136 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | | | trans | 72.1 | 133.4 | 177.2 | -76.2 | -163.6 | 163.9 | -155.3 | 0 | 116.6 | | |
| 368 | S | 34.7 | Very low | 34.5 | Very low | 82 Ų | 82 | 135.6 Ų | 135.6 | 57% | 0.573 | 75% | 0.753 | S | S | * | * | | | | 85.2 | 149.3 | 55.6 | 102.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 369 | E | 36.2 | Very low | 34.5 | Very low | 155 Ų | 155 | 132 Ų | 132 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | | | cis | -162.8 | 162.3 | 7.7 | -136.7 | 157.5 | 138.5 | 0 | 0 | 111.9 | | |
| 370 | D | 34.8 | Very low | 35.4 | Very low | 109 Ų | 109 | 134.8 Ų | 134.8 | 58% | 0.583 | 76% | 0.761 | S | S | * | * | | | trans | 58.7 | 132.1 | 142.6 | -125.4 | 15 | 0 | 0 | 0 | 124.8 | | |
| 371 | R | 38.5 | Very low | 34.9 | Very low | 203 Ų | 203 | 133 Ų | 133 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | | | trans | 79.1 | 118.5 | 132.8 | -89.3 | 174.6 | -163.9 | 160.6 | -1.2 | 126 | | |
| 372 | K | 34.2 | Very low | 34.7 | Very low | 195 Ų | 195 | 132.2 Ų | 132.2 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | | | | 77.4 | 107 | 113 | -167.3 | -178.7 | -178.2 | -174.9 | 0 | 118.8 | | |
| 373 | G | 29.8 | Very low | 34.4 | Very low | 76 Ų | 76 | 129.6 Ų | 129.6 | 78% | 0.784 | 76% | 0.756 | S | S | * | * | | | trans | -89.4 | -161.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 374 | S | 32.5 | Very low | 33.9 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 90% | 0.895 | 76% | 0.758 | S | S | * | * | | | trans | -150.1 | 161.6 | 172.1 | -170.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 375 | A | 35.8 | Very low | 33.4 | Very low | 86 Ų | 86 | 132.7 Ų | 132.7 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | | | trans | -101.1 | 158.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 376 | T | 27.4 | Very low | 33.3 | Very low | 144 Ų | 144 | 133.3 Ų | 133.3 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | | | trans | -178.5 | 143.2 | 134.2 | -78.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 377 | T | 31.1 | Very low | 33.3 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | | | trans | -76.8 | 149.2 | 176 | -48.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 378 | V | 30.8 | Very low | 33 | Very low | 135 Ų | 135 | 130.2 Ų | 130.2 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | | | trans | 169.7 | 144.9 | 134.7 | 149.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 379 | A | 33.1 | Very low | 33.5 | Very low | 93 Ų | 93 | 132.6 Ų | 132.6 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | | | trans | -129.7 | 154 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 380 | P | 49.7 | Very low | 33.1 | Very low | 119 Ų | 119 | 135 Ų | 135 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | trans | -144.4 | 156.9 | 135.1 | 38.7 | -25.4 | 0 | 0 | 0 | 114.1 | | |
| 381 | D | 26.7 | Very low | 32.9 | Very low | 149 Ų | 149 | 138.5 Ų | 138.5 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | | | | -170.1 | -173.8 | 100.4 | -148.8 | -8.9 | 0 | 0 | 0 | 112.3 | | |
| 382 | L | 33.8 | Very low | 33 | Very low | 159 Ų | 159 | 133.7 Ų | 133.7 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | trans | -115.8 | 147.7 | -149.4 | -71.2 | 159.8 | 0 | 0 | 0 | 118.5 | | |
| 383 | A | 31 | Very low | 32.8 | Very low | 90 Ų | 90 | 133 Ų | 133 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | | | trans | -176 | 116.9 | 140.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 384 | Q | 31.6 | Very low | 32.6 | Very low | 174 Ų | 174 | 139.4 Ų | 139.4 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | | | | 60.3 | 134.2 | 77.9 | -64.5 | -157.8 | -13.5 | 0 | 0 | 115.7 | | |
| 385 | E | 27.1 | Very low | 32.5 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 60% | 0.603 | 79% | 0.79 | S | S | * | * | | | cis | -157.7 | 152.7 | -4.7 | -118 | -156.1 | -180 | 0 | 0 | 115.1 | | |
| 386 | K | 30.3 | Very low | 32.8 | Very low | 151 Ų | 151 | 142.3 Ų | 142.3 | 66% | 0.657 | 80% | 0.795 | S | S | * | * | | | trans | 38.2 | 116.3 | 146.6 | -65 | -179 | -167 | 133.3 | 0 | 125.8 | | |
| 387 | S | 32.4 | Very low | 32.7 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | | | | 75.5 | 162.1 | 121.5 | 77.1 | 0 | 0 | 0 | 0 | 123.9 | | |
| 388 | S | 32.4 | Very low | 32.6 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | | | trans | -108.9 | 169.8 | -165.7 | 0.8 | 0 | 0 | 0 | 0 | 116 | | |
| 389 | P | 43.5 | Very low | 32.3 | Very low | 131 Ų | 131 | 140.8 Ų | 140.8 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | | | trans | -134.8 | -164.6 | 145.4 | 38.7 | -24.7 | 0 | 0 | 0 | 115 | | |
| 390 | K | 29.1 | Very low | 32.2 | Very low | 207 Ų | 207 | 143.3 Ų | 143.3 | 90% | 0.9 | 78% | 0.781 | S | S | * | * | | | trans | -119.8 | 174.3 | -162.9 | -63 | 177.7 | 179.4 | 175.5 | 0 | 115.3 | | |
| 391 | Q | 31.1 | Very low | 31.1 | Very low | 181 Ų | 181 | 144 Ų | 144 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | | | trans | -35.1 | 164.5 | 159.7 | -125.5 | -162.2 | -12.8 | 0 | 0 | 116.1 | | |
| 392 | P | 40.5 | Very low | 31 | Very low | 103 Ų | 103 | 142.3 Ų | 142.3 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | | | | -161.2 | -177.5 | 69.3 | 46.3 | -25.1 | 0 | 0 | 0 | 120.3 | | |
| 393 | Q | 28.9 | Very low | 30.8 | Very low | 179 Ų | 179 | 141.4 Ų | 141.4 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | | | trans | 67.1 | 124.2 | 151.7 | -75.3 | 177.8 | 21.5 | 0 | 0 | 124.3 | | |
| 394 | K | 26.7 | Very low | 30.7 | Very low | 211 Ų | 211 | 145 Ų | 145 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | | | | -164.2 | 158.8 | 108.5 | -142.3 | 178.5 | 179.7 | 178.8 | 0 | 113.5 | | |
| 395 | L | 29.9 | Very low | 31.7 | Very low | 150 Ų | 150 | 141.3 Ų | 141.3 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | -114.4 | 162.4 | 174.7 | -100.3 | 163.6 | 0 | 0 | 0 | 109.7 | | |
| 396 | P | 41.8 | Very low | 31.8 | Very low | 125 Ų | 125 | 141.4 Ų | 141.4 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | | | | -137.8 | -172.3 | 51.8 | 39.4 | -20 | 0 | 0 | 0 | 114.6 | | |
| 397 | G | 24.9 | Very low | 31.7 | Very low | 57 Ų | 57 | 140.3 Ų | 140.3 | 59% | 0.588 | 78% | 0.781 | S | S | * | * | | | cis | 147.9 | 133.6 | -13.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 398 | K | 29.1 | Very low | 31.8 | Very low | 203 Ų | 203 | 139.6 Ų | 139.6 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | | | trans | 76.4 | 151.4 | 177.8 | -54.1 | -179.4 | -178.4 | 179.6 | 0 | 116.8 | | |
| 399 | T | 25.8 | Very low | 31.7 | Very low | 115 Ų | 115 | 143 Ų | 143 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | | | cis | -162.7 | -179.9 | -25.2 | 32.2 | 0 | 0 | 0 | 0 | 109 | | |
| 400 | N | 30.8 | Very low | 31 | Very low | 145 Ų | 145 | 140.7 Ų | 140.7 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | | | trans | 88.6 | 121.7 | 170.6 | -44.3 | -5 | 0 | 0 | 0 | 113 | | |
| 401 | V | 26.5 | Very low | 31.2 | Very low | 133 Ų | 133 | 137 Ų | 137 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | | | cis | 99.4 | 115.5 | 30.9 | 173.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 402 | C | 24.7 | Very low | 31.5 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 78% | 0.777 | 76% | 0.762 | S | S | * | * | | | trans | 31.2 | 148 | 157 | -61.2 | 0 | 0 | 0 | 0 | 120.9 | | |
| 403 | T | 29.4 | Very low | 31.2 | Very low | 139 Ų | 139 | 136.7 Ų | 136.7 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | | | | -163.7 | 159.6 | 53.3 | -45.1 | 0 | 0 | 0 | 0 | 113 | | |
| 404 | E | 28.3 | Very low | 31.6 | Very low | 167 Ų | 167 | 138.3 Ų | 138.3 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | | | trans | -80.3 | -168.2 | 168.9 | -77.3 | -80.7 | -172.9 | 0 | 0 | 112 | | |
| 405 | P | 53.7 | Low | 31.6 | Very low | 96 Ų | 96 | 132 Ų | 132 | 62% | 0.623 | 77% | 0.771 | S | S | * | * | | | cis | -134.9 | -149.6 | -21.6 | 24.2 | 2.7 | 0 | 0 | 0 | 112.7 | | |
| 406 | D | 27.2 | Very low | 31.7 | Very low | 131 Ų | 131 | 129.9 Ų | 129.9 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | | | trans | 91.4 | 142.9 | 139.4 | -88.8 | 36.6 | 0 | 0 | 0 | 121.2 | | |
| 407 | N | 29.4 | Very low | 31 | Very low | 127 Ų | 127 | 135.1 Ų | 135.1 | 68% | 0.679 | 78% | 0.778 | S | S | * | * | | | cis | -166.4 | -172.4 | -22.3 | -135.9 | -28.6 | 0 | 0 | 0 | 113.4 | | |
| 408 | S | 34.6 | Very low | 31.3 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | 76.6 | 133 | 169.2 | 71.6 | 0 | 0 | 0 | 0 | 117.4 | | |
| 409 | E | 29 | Very low | 31.4 | Very low | 185 Ų | 185 | 135.1 Ų | 135.1 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | | | cis | 88.5 | 132.7 | 18.1 | -160.3 | -177.4 | -164 | 0 | 0 | 115.5 | | |
| 410 | A | 30.7 | Very low | 31.7 | Very low | 82 Ų | 82 | 138.2 Ų | 138.2 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | | | cis | -168.9 | -137.5 | -29.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 411 | V | 33.3 | Very low | 31.9 | Very low | 129 Ų | 129 | 142.1 Ų | 142.1 | 78% | 0.782 | 79% | 0.79 | S | S | * | * | | | trans | 85.4 | 132.1 | 170.4 | -171.6 | 0 | 0 | 0 | 0 | 117.1 | | |
| 412 | A | 35.9 | Very low | 31.8 | Very low | 93 Ų | 93 | 142.9 Ų | 142.9 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | trans | -146 | 149.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 413 | H | 34.7 | Very low | 32.2 | Very low | 184 Ų | 184 | 143 Ų | 143 | 85% | 0.852 | 79% | 0.787 | S | S | * | * | | | trans | -132.8 | 154 | 173 | -90.6 | -88.4 | 0 | 0 | 0 | 112.2 | | |
| 414 | K | 37.7 | Very low | 32.3 | Very low | 214 Ų | 214 | 141.1 Ų | 141.1 | 93% | 0.93 | 78% | 0.78 | S | S | * | * | | | trans | -111.3 | 142.7 | 177.9 | -65.9 | -179.4 | 178.2 | 178.7 | 0 | 110.7 | | |
| 415 | G | 26.5 | Very low | 32.5 | Very low | 79 Ų | 79 | 139.5 Ų | 139.5 | 81% | 0.814 | 78% | 0.781 | S | S | * | * | | | trans | -141.4 | 159.6 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 416 | A | 31.9 | Very low | 31.9 | Very low | 104 Ų | 104 | 140.4 Ų | 140.4 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | | | trans | -154 | 156.1 | -167.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 417 | R | 27.5 | Very low | 32 | Very low | 236 Ų | 236 | 143.9 Ų | 143.9 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | | | trans | 96.6 | 148.9 | 142.5 | -152.2 | -169.3 | -178.5 | -143.4 | -0.6 | 118.5 | | |
| 418 | V | 29.9 | Very low | 32.1 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | 96.3 | 126 | 161.5 | -169.4 | 0 | 0 | 0 | 0 | 115.7 | | |
| 419 | D | 32.9 | Very low | 32.4 | Very low | 140 Ų | 140 | 144 Ų | 144 | 75% | 0.749 | 80% | 0.803 | S | S | * | * | | | trans | -74.3 | 153.7 | 174.5 | -51.7 | -100.7 | 0 | 0 | 0 | 113.2 | | |
| 420 | M | 31.4 | Very low | 32.6 | Very low | 179 Ų | 179 | 141.5 Ų | 141.5 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | | | | -159.1 | 167.1 | 128 | -102.7 | -47.6 | 104.5 | 0 | 0 | 111 | | |
| 421 | R | 34 | Very low | 33 | Very low | 227 Ų | 227 | 143.2 Ų | 143.2 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | | | trans | -103 | 139.8 | 178.8 | -55.8 | 167.9 | -178.8 | 158.8 | -1.8 | 109.5 | | |
| 422 | D | 26.1 | Very low | 33 | Very low | 149 Ų | 149 | 146 Ų | 146 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | | | | -173.2 | 141 | 115.8 | -111.1 | -11.9 | 0 | 0 | 0 | 116.4 | | |
| 423 | V | 31.6 | Very low | 32.8 | Very low | 117 Ų | 117 | 147 Ų | 147 | 71% | 0.709 | 81% | 0.811 | S | S | * | * | | | trans | 34.8 | 138.4 | 131.9 | 172.7 | 0 | 0 | 0 | 0 | 123.4 | | |
| 424 | S | 31.7 | Very low | 33.2 | Very low | 100 Ų | 100 | 143.1 Ų | 143.1 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | | | trans | 71 | 101.9 | 159.7 | -68.4 | 0 | 0 | 0 | 0 | 120.2 | | |
| 425 | V | 33.3 | Very low | 33 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | | | | 60.2 | 128.8 | 64.8 | -175.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 426 | P | 41.2 | Very low | 33.7 | Very low | 115 Ų | 115 | 139 Ų | 139 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | | | cis | -135.8 | 167.2 | -21.3 | 38.1 | -21.1 | 0 | 0 | 0 | 115.5 | | |
| 427 | K | 28.7 | Very low | 34 | Very low | 204 Ų | 204 | 143 Ų | 143 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | | | trans | -151.9 | 141.5 | 142.3 | -154.5 | 124.4 | -174.3 | 176.3 | 0 | 110.9 | | |
| 428 | S | 31.3 | Very low | 34.5 | Very low | 113 Ų | 113 | 135 Ų | 135 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | | | trans | -92 | 141.5 | -171.8 | 42.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 429 | P | 40.7 | Very low | 34.9 | Very low | 120 Ų | 120 | 134 Ų | 134 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | | | trans | -106.3 | 160.3 | 152.4 | 35.6 | -27.9 | 0 | 0 | 0 | 112.2 | | |
| 430 | V | 34.1 | Very low | 35.1 | Very low | 134 Ų | 134 | 136.4 Ų | 136.4 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 140.2 | -177.1 | 179.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 431 | P | 37.8 | Very low | 35.3 | Very low | 118 Ų | 118 | 135 Ų | 135 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 130.4 | 173.5 | 30.2 | -34.4 | 0 | 0 | 0 | 112.3 | | |
| 432 | E | 34.9 | Very low | 35.6 | Very low | 186 Ų | 186 | 131.3 Ų | 131.3 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 139.9 | 174.4 | -165.4 | 169.5 | -151.2 | 0 | 0 | 110.8 | P434 | E432-P434 VanDerWaalsContact O-CD 3.31Å; E432-P434 WeakPolarHBondContact O-CD 3.3Å |
| 433 | S | 31.6 | Very low | 36.4 | Very low | 116 Ų | 116 | 131.4 Ų | 131.4 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 121.1 | -169.5 | -55.9 | 0 | 0 | 0 | 0 | 113.5 | A435 | S433-A435 PolarHBondContact O-N 3.22Š|
| 434 | P | 43.1 | Very low | 37 | Very low | 101 Ų | 101 | 130.5 Ų | 130.5 | 66% | 0.656 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 122.1 | 173.7 | -12.9 | 29.6 | 0 | 0 | 0 | 111.5 | E432 F437 | E432-P434 VanDerWaalsContact O-CD 3.31Å; E432-P434 WeakPolarHBondContact O-CD 3.3Å; P434-F437 HydrophobicContact CB-CE2 3.77Å; P434-F437 HydrophobicContact CB-CZ 4.44Å |
| 435 | A | 32.8 | Very low | 37.4 | Very low | 79 Ų | 79 | 132 Ų | 132 | 65% | 0.653 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 155.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | S433 F437 | S433-A435 PolarHBondContact O-N 3.22Å; A435-F437 PolarHBondContact O-N 3.3Å |
| 436 | P | 40.6 | Very low | 37.6 | Very low | 128 Ų | 128 | 130.1 Ų | 130.1 | 83% | 0.831 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 122.4 | -152.5 | 25.8 | -35.2 | 0 | 0 | 0 | 114.1 | | |
| 437 | F | 39.9 | Very low | 37.5 | Very low | 187 Ų | 187 | 130 Ų | 130 | 82% | 0.82 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 136.4 | 162.3 | -57.5 | -70.8 | 0 | 0 | 0 | 109.6 | P434 A435 | P434-F437 HydrophobicContact CB-CE2 3.77Å; P434-F437 HydrophobicContact CB-CZ 4.44Å; A435-F437 PolarHBondContact O-N 3.3Å |
| 438 | G | 37 | Very low | 38.2 | Very low | 70 Ų | 70 | 127 Ų | 127 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -77.2 | 171.2 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 439 | C | 37.2 | Very low | 38.7 | Very low | 98 Ų | 98 | 130.5 Ų | 130.5 | 66% | 0.662 | 74% | 0.742 | S | S | * | * | | | trans | 64.9 | 85.4 | 169.9 | -56.6 | 0 | 0 | 0 | 0 | 115.7 | N441 | C439-N441 PolarHBondContact O-N 3.11Å; C439-N441 PolarHBondContact O-ND2 3.16Å; C439-N441 VanDerWaalsContact O-ND2 3.16Å |
| 440 | H | 39.1 | Very low | 39.1 | Very low | 191 Ų | 191 | 128.9 Ų | 128.9 | 88% | 0.884 | 73% | 0.73 | S | S | * | * | | | trans | -57.6 | 108.1 | 155.6 | -71.6 | 91 | 0 | 0 | 0 | 109.2 | I442 | H440-I442 PolarHBondContact O-N 3.2Š|
| 441 | N | 33.7 | Very low | 39.5 | Very low | 148 Ų | 148 | 127.8 Ų | 127.8 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | | | trans | -80.5 | 101.5 | 170.7 | -73.3 | -89.5 | 0 | 0 | 0 | 107.9 | C439 R443 | C439-N441 PolarHBondContact O-N 3.11Å; C439-N441 PolarHBondContact O-ND2 3.16Å; C439-N441 VanDerWaalsContact O-ND2 3.16Å; N441-R443 VanDerWaalsContact C-N 3.34Å; N441-R443 PolarHBondContact O-N 3.3Å |
| 442 | I | 40.6 | Very low | 39.6 | Very low | 151 Ų | 151 | 128.8 Ų | 128.8 | 77% | 0.774 | 72% | 0.717 | S | S | * | * | | | trans | -70.8 | 92.2 | 176.2 | -56.1 | 176.5 | 0 | 0 | 0 | 108.2 | H440 T444 | H440-I442 PolarHBondContact O-N 3.2Å; I442-T444 VanDerWaalsContact C-N 3.32Å; I442-T444 PolarHBondContact O-N 3.35Å; I442-T444 VanDerWaalsContact O-N 3.1Å |
| 443 | R | 42.5 | Very low | 39.7 | Very low | 151 Ų | 151 | 124.5 Ų | 124.5 | 57% | 0.57 | 71% | 0.707 | S | S | * | * | | | trans | -79.8 | 83.4 | 170 | -172.9 | -171.3 | 178.8 | -153.2 | -3.2 | 108.7 | N441 Q445 | N441-R443 VanDerWaalsContact C-N 3.34Å; N441-R443 PolarHBondContact O-N 3.3Å; R443-Q445 HydrophobicContact CG-CG 3.99Å; R443-Q445 PolarHBondContact O-N 2.87Å |
| 444 | T | 44.3 | Very low | 40.2 | Very low | 98 Ų | 98 | 125.3 Ų | 125.3 | 60% | 0.601 | 70% | 0.698 | S | S | * | * | | | trans | -60.7 | 105.9 | 166.7 | -50 | 0 | 0 | 0 | 0 | 108.4 | I442 V446 | I442-T444 VanDerWaalsContact C-N 3.32Å; I442-T444 PolarHBondContact O-N 3.35Å; I442-T444 VanDerWaalsContact O-N 3.1Å; T444-V446 HydrophobicContact CG2-CG2 4.12Å |
| 445 | Q | 40.4 | Very low | 39.7 | Very low | 130 Ų | 130 | 124.4 Ų | 124.4 | 61% | 0.607 | 69% | 0.694 | S | S | * | * | | | trans | -94.5 | 120 | 169.4 | -64.5 | -175.3 | 110.2 | 0 | 0 | 107.2 | R443 | R443-Q445 HydrophobicContact CG-CG 3.99Å; R443-Q445 PolarHBondContact O-N 2.87Å |
| 446 | V | 38.6 | Very low | 40.3 | Very low | 95 Ų | 95 | 126.2 Ų | 126.2 | 58% | 0.576 | 70% | 0.697 | S | S | * | * | | | trans | -103.2 | 98.3 | 173.4 | -176.6 | 0 | 0 | 0 | 0 | 107.2 | T444 L448 | T444-V446 HydrophobicContact CG2-CG2 4.12Å; V446-L448 HydrophobicContact CG1-CD2 4.17Å; V446-L448 HydrophobicContact CG1-CG 4.29Å; V446-L448 PolarHBondContact O-N 3.42Å |
| 447 | S | 38.4 | Very low | 40.1 | Very low | 113 Ų | 113 | 124 Ų | 124 | 79% | 0.79 | 69% | 0.689 | S | S | * | * | | | trans | -79.3 | 108.9 | 166.2 | 48.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 448 | L | 43.4 | Very low | 40.3 | Very low | 140 Ų | 140 | 120.5 Ų | 120.5 | 73% | 0.733 | 68% | 0.684 | S | S | * | * | | | trans | -85.6 | 122.5 | 164.8 | -65.4 | 175.5 | 0 | 0 | 0 | 107.6 | V446 | V446-L448 HydrophobicContact CG1-CD2 4.17Å; V446-L448 HydrophobicContact CG1-CG 4.29Å; V446-L448 PolarHBondContact O-N 3.42Å |
| 449 | E | 43 | Very low | 40.2 | Very low | 187 Ų | 187 | 121.1 Ų | 121.1 | 87% | 0.874 | 68% | 0.677 | S | S | * | * | | | trans | -86.8 | 134.8 | 176.7 | -170 | 170.6 | 176.1 | 0 | 0 | 110 | V451 | E449-V451 PolarHBondContact O-N 2.89Š|
| 450 | V | 47.2 | Very low | 40.2 | Very low | 86 Ų | 86 | 122.3 Ų | 122.3 | 52% | 0.521 | 68% | 0.683 | S | S | . | * | | | trans | -82.9 | 100.6 | -172.2 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | E177 | E177-V450 VanDerWaalsContact CD-CG2 3.49Å; E177-V450 HydrophobicContact CG-CG2 4.11Å; E177-V450 WeakPolarHBondContact OE2-CG2 3.4Å |
| 451 | V | 43.1 | Very low | 40.6 | Very low | 110 Ų | 110 | 119.3 Ų | 119.3 | 67% | 0.667 | 67% | 0.671 | S | S | * | * | | | trans | -91.7 | 112.3 | 166.3 | -175.1 | 0 | 0 | 0 | 0 | 109.2 | E449 C453 | E449-V451 PolarHBondContact O-N 2.89Å; V451-C453 VanDerWaalsContact C-N 3.34Å; V451-C453 PolarHBondContact O-N 3.21Å |
| 452 | Q | 39.5 | Very low | 41.5 | Very low | 139 Ų | 139 | 118.2 Ų | 118.2 | 65% | 0.65 | 67% | 0.67 | S | S | * | * | | | trans | -78 | 80.2 | 178 | -166.8 | -174.8 | 25.1 | 0 | 0 | 111.3 | Q454 | Q452-Q454 PolarHBondContact O-N 3.45Š|
| 453 | C | 37.6 | Very low | 41.7 | Very low | 97 Ų | 97 | 114.7 Ų | 114.7 | 66% | 0.655 | 66% | 0.657 | S | S | * | * | | | trans | -66.9 | 99.9 | 178.6 | -64.4 | 0 | 0 | 0 | 0 | 112.3 | V451 | V451-C453 VanDerWaalsContact C-N 3.34Å; V451-C453 PolarHBondContact O-N 3.21Å |
| 454 | Q | 41.4 | Very low | 42.2 | Very low | 132 Ų | 132 | 112.4 Ų | 112.4 | 62% | 0.617 | 66% | 0.662 | S | S | * | * | | | trans | -88.8 | 100.4 | 168.2 | -63.8 | -173.7 | 31.1 | 0 | 0 | 110.1 | Q452 | Q452-Q454 PolarHBondContact O-N 3.45Š|
| 455 | S | 34.3 | Very low | 42.3 | Very low | 82 Ų | 82 | 117.7 Ų | 117.7 | 57% | 0.573 | 68% | 0.679 | S | S | * | * | | | trans | -96.8 | 109.6 | 178.2 | 55.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 456 | V | 43.7 | Very low | 42.4 | Very low | 117 Ų | 117 | 113.8 Ų | 113.8 | 71% | 0.709 | 68% | 0.675 | S | S | * | * | | | trans | -98.4 | 114.4 | 173.8 | -177.6 | 0 | 0 | 0 | 0 | 109.4 | T458 | V456-T458 HydrophobicContact CG1-CG2 4.38Š|
| 457 | A | 37.5 | Very low | 43.1 | Very low | 82 Ų | 82 | 117.9 Ų | 117.9 | 68% | 0.678 | 69% | 0.693 | S | S | * | * | | | trans | -103.6 | 93.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 458 | T | 44.3 | Very low | 43.6 | Very low | 114 Ų | 114 | 120.5 Ų | 120.5 | 70% | 0.699 | 69% | 0.693 | S | S | * | * | | | trans | -80.9 | 115.1 | 169 | 49.2 | 0 | 0 | 0 | 0 | 110.1 | V456 | V456-T458 HydrophobicContact CG1-CG2 4.38Š|
| 459 | S | 34.7 | Very low | 44.1 | Very low | 83 Ų | 83 | 116.2 Ų | 116.2 | 58% | 0.58 | 68% | 0.677 | S | S | * | * | | | trans | -57.9 | 143.4 | 165 | -73.9 | 0 | 0 | 0 | 0 | 110.3 | M461 | S459-M461 PolarHBondContact O-N 3.41Š|
| 460 | P | 36.9 | Very low | 44 | Very low | 123 Ų | 123 | 114.3 Ų | 114.3 | 80% | 0.799 | 67% | 0.667 | S | S | * | * | | | trans | -64.9 | 112 | -179.9 | 26 | -33.7 | 0 | 0 | 0 | 110.6 | T462 | P460-T462 PolarHBondContact O-N 3.01Š|
| 461 | M | 48.1 | Very low | 43.6 | Very low | 128 Ų | 128 | 117 Ų | 117 | 63% | 0.631 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 123.7 | 167.5 | -78.3 | -70.5 | -65.8 | 0 | 0 | 109.4 | S459 P463 | S459-M461 PolarHBondContact O-N 3.41Å; M461-P463 WeakPolarHBondContact O-CD 3.34Å |
| 462 | T | 52.7 | Low | 43.3 | Very low | 125 Ų | 125 | 119.7 Ų | 119.7 | 77% | 0.767 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 119.6 | 159.3 | -50.9 | 0 | 0 | 0 | 0 | 107.5 | P460 | P460-T462 PolarHBondContact O-N 3.01Š|
| 463 | P | 44.1 | Very low | 43.1 | Very low | 76 Ų | 76 | 118.8 Ų | 118.8 | 49% | 0.494 | 69% | 0.687 | S | S | . | * | P | Polyproline II helix | trans | -68.5 | 143.7 | 174.4 | 29.3 | -33.7 | 0 | 0 | 0 | 109.9 | M461 | M461-P463 WeakPolarHBondContact O-CD 3.34Š|
| 464 | P | 53.7 | Low | 43.1 | Very low | 104 Ų | 104 | 119.5 Ų | 119.5 | 68% | 0.675 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 141.2 | 168.4 | 28.6 | -33.8 | 0 | 0 | 0 | 109.8 | G466 | P464-G466 PolarHBondContact O-N 2.96Š|
| 465 | E | 44.8 | Very low | 43.2 | Very low | 208 Ų | 208 | 118.7 Ų | 118.7 | 97% | 0.972 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -71 | 113.8 | -177.4 | -68 | -177.5 | 116 | 0 | 0 | 111.3 | | |
| 466 | G | 44.4 | Very low | 43.5 | Very low | 49 Ų | 49 | 124.4 Ų | 124.4 | 51% | 0.505 | 72% | 0.717 | S | S | . | * | S | Bend | trans | 167 | 141.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | P464 Q468 A469 | P464-G466 PolarHBondContact O-N 2.96Å; G466-Q468 PolarHBondContact O-N 3.26Å; G466-A469 PolarHBondContact O-N 3.5Å |
| 467 | D | 51.8 | Low | 43.3 | Very low | 180 Ų | 180 | 121.9 Ų | 121.9 | 96% | 0.963 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | 10.9 | -173.3 | -60.8 | -37.1 | 0 | 0 | 0 | 115.5 | | |
| 468 | Q | 50 | Low | 43.2 | Very low | 168 Ų | 168 | 128 Ų | 128 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.8 | 5.3 | 178.5 | -61.7 | -164.4 | 36.9 | 0 | 0 | 114.2 | G466 F470 | G466-Q468 PolarHBondContact O-N 3.26Å; Q468-F470 PolarHBondContact O-N 2.87Å; Q468-F470 VanDerWaalsContact O-N 3.09Å |
| 469 | A | 52.8 | Low | 42.7 | Very low | 50 Ų | 50 | 128.5 Ų | 128.5 | 41% | 0.413 | 73% | 0.732 | S | S | . | * | S | Bend | trans | -64.1 | -13.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | G466 | G466-A469 PolarHBondContact O-N 3.5Š|
| 470 | F | 42.3 | Very low | 42.6 | Very low | 148 Ų | 148 | 128 Ų | 128 | 65% | 0.649 | 74% | 0.74 | S | S | * | * | | | trans | -134.4 | 91.3 | -176.2 | -68 | -83 | 0 | 0 | 0 | 113.3 | Q468 F472 | Q468-F470 PolarHBondContact O-N 2.87Å; Q468-F470 VanDerWaalsContact O-N 3.09Å; F470-F472 HydrophobicContact CB-CD2 4.39Å; F470-F472 HydrophobicContact CB-CE2 4Å; F470-F472 HydrophobicContact CD1-CE2 4.32Å; F470-F472 HydrophobicContact CD1-CZ 4.31Å; F470-F472 HydrophobicContact CG-CE2 4.47Å |
| 471 | N | 38.2 | Very low | 42.5 | Very low | 143 Ų | 143 | 126.1 Ų | 126.1 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | | | trans | -95.2 | 95.9 | 162.2 | -84.9 | -75.9 | 0 | 0 | 0 | 109.9 | | |
| 472 | F | 36.3 | Very low | 41.8 | Very low | 166 Ų | 166 | 127 Ų | 127 | 73% | 0.728 | 76% | 0.756 | S | S | * | * | | | trans | -70.2 | 132.4 | 171.5 | -72.5 | -85.4 | 0 | 0 | 0 | 110.4 | F470 S474 | F470-F472 HydrophobicContact CB-CD2 4.39Å; F470-F472 HydrophobicContact CB-CE2 4Å; F470-F472 HydrophobicContact CD1-CE2 4.32Å; F470-F472 HydrophobicContact CD1-CZ 4.31Å; F470-F472 HydrophobicContact CG-CE2 4.47Å; F472-S474 PolarHBondContact O-N 3.21Å |
| 473 | P | 35.5 | Very low | 40.8 | Very low | 119 Ų | 119 | 123.6 Ų | 123.6 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | | | trans | -65.8 | 95.2 | 174.8 | -21.7 | 34 | 0 | 0 | 0 | 111.4 | S475 | P473-S475 PolarHBondContact O-N 3.44Š|
| 474 | S | 38.4 | Very low | 40.4 | Very low | 113 Ų | 113 | 126.1 Ų | 126.1 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | | | trans | -76.4 | 68.6 | 179.1 | 66.6 | 0 | 0 | 0 | 0 | 111.5 | F472 F476 | F472-S474 PolarHBondContact O-N 3.21Å; S474-F476 PolarHBondContact O-N 2.87Å |
| 475 | S | 43.6 | Very low | 39.5 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | | | trans | -73.4 | 35 | 176.3 | 54.9 | 0 | 0 | 0 | 0 | 113.6 | P473 G477 | P473-S475 PolarHBondContact O-N 3.44Å; S475-G477 PolarHBondContact O-N 3.2Å |
| 476 | F | 39.7 | Very low | 39.6 | Very low | 203 Ų | 203 | 125.2 Ų | 125.2 | 89% | 0.89 | 76% | 0.756 | S | S | * | * | | | trans | -71.8 | 96 | 169 | -122.2 | -85.9 | 0 | 0 | 0 | 108.8 | S474 K478 | S474-F476 PolarHBondContact O-N 2.87Å; F476-K478 PolarHBondContact O-N 3.38Å; F476-K478 VanDerWaalsContact O-N 3.07Å |
| 477 | G | 38.8 | Very low | 39.4 | Very low | 63 Ų | 63 | 131.9 Ų | 131.9 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | | | trans | -57.1 | 110.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S475 C479 | S475-G477 PolarHBondContact O-N 3.2Å; G477-C479 PolarHBondContact O-N 3.2Å |
| 478 | K | 37.1 | Very low | 38.7 | Very low | 211 Ų | 211 | 130.3 Ų | 130.3 | 92% | 0.917 | 76% | 0.762 | S | S | * | * | | | trans | -78.4 | 68.1 | 178.9 | -168.1 | 173.9 | -179.3 | 173.8 | 0 | 111.4 | F476 G480 | F476-K478 PolarHBondContact O-N 3.38Å; F476-K478 VanDerWaalsContact O-N 3.07Å; K478-G480 PolarHBondContact O-N 3.36Å |
| 479 | C | 33.3 | Very low | 38.3 | Very low | 124 Ų | 124 | 127.2 Ų | 127.2 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | | | trans | -65.1 | 119.7 | 170.9 | -69.3 | 0 | 0 | 0 | 0 | 110 | G477 | G477-C479 PolarHBondContact O-N 3.2Š|
| 480 | G | 31.6 | Very low | 37.6 | Very low | 72 Ų | 72 | 133.6 Ų | 133.6 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | | | trans | -73 | 136 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | K478 V482 | K478-G480 PolarHBondContact O-N 3.36Å; G480-V482 PolarHBondContact O-N 3.21Å |
| 481 | G | 35.8 | Very low | 37.5 | Very low | 85 Ų | 85 | 134.4 Ų | 134.4 | 88% | 0.876 | 79% | 0.794 | S | S | * | * | | | trans | -81.4 | 99.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 482 | V | 32 | Very low | 37.6 | Very low | 145 Ų | 145 | 136.9 Ų | 136.9 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | | | trans | -148.8 | 135.3 | 153 | -175.6 | 0 | 0 | 0 | 0 | 105.3 | G480 | G480-V482 PolarHBondContact O-N 3.21Š|
| 483 | G | 32.6 | Very low | 37.8 | Very low | 55 Ų | 55 | 134.7 Ų | 134.7 | 57% | 0.567 | 80% | 0.801 | S | S | * | * | | | cis | 152.5 | 128.8 | -1.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 484 | T | 36.6 | Very low | 37.9 | Very low | 128 Ų | 128 | 132.2 Ų | 132.2 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | 62.4 | 158.1 | -175.4 | 81.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 485 | E | 34.3 | Very low | 37.7 | Very low | 169 Ų | 169 | 133.5 Ų | 133.5 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | | | cis | -152.4 | 164.4 | -15.7 | 36.2 | -143.8 | 113.5 | 0 | 0 | 111.3 | | |
| 486 | T | 45.6 | Very low | 37.2 | Very low | 125 Ų | 125 | 137.1 Ų | 137.1 | 77% | 0.767 | 80% | 0.795 | S | S | * | * | | | trans | -26.8 | 133.4 | -176.6 | 57.3 | 0 | 0 | 0 | 0 | 119.4 | | |
| 487 | K | 41 | Very low | 37.2 | Very low | 189 Ų | 189 | 131.6 Ų | 131.6 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | | | | -172.2 | 173.5 | 106.7 | -103.2 | 179.1 | 179.8 | -174.5 | 0 | 115 | | |
| 488 | D | 37.2 | Very low | 37 | Very low | 147 Ų | 147 | 135 Ų | 135 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | | | trans | -75.4 | 164.3 | -158.7 | -46.4 | -87.9 | 0 | 0 | 0 | 117.2 | | |
| 489 | A | 42.2 | Very low | 36.9 | Very low | 102 Ų | 102 | 133.3 Ų | 133.3 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | | | trans | 65 | 142.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 490 | E | 38.1 | Very low | 37 | Very low | 185 Ų | 185 | 136.8 Ų | 136.8 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | | | cis | -135.2 | 179.8 | 17.8 | -157.1 | 173.9 | 144.1 | 0 | 0 | 111.4 | Q492 | E490-Q492 PolarHBondContact O-N 3.05Å; E490-Q492 VanDerWaalsContact O-N 3.12Å |
| 491 | M | 40.3 | Very low | 37 | Very low | 165 Ų | 165 | 139 Ų | 139 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | | | trans | -65.3 | 109.5 | -170.2 | -61.5 | -164.9 | -55.1 | 0 | 0 | 114.3 | V493 | M491-V493 VanDerWaalsContact C-N 3.33Å; M491-V493 HydrophobicContact CB-CG2 4.12Å; M491-V493 HydrophobicContact CE-CG2 4.3Å; M491-V493 PolarHBondContact O-N 3.21Å; M491-V493 VanDerWaalsContact O-N 3.09Å |
| 492 | Q | 39.2 | Very low | 37.1 | Very low | 195 Ų | 195 | 140.9 Ų | 140.9 | 91% | 0.911 | 76% | 0.764 | S | S | * | * | | | trans | -80.5 | 77.7 | 161.4 | -68.1 | -171.7 | 5 | 0 | 0 | 111 | E490 G494 | E490-Q492 PolarHBondContact O-N 3.05Å; E490-Q492 VanDerWaalsContact O-N 3.12Å; Q492-G494 PolarHBondContact O-N 3.11Å |
| 493 | V | 41.7 | Very low | 37.2 | Very low | 120 Ų | 120 | 138.9 Ų | 138.9 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | trans | -76.6 | 74 | 165.3 | -170.5 | 0 | 0 | 0 | 0 | 108.7 | M491 Q495 | M491-V493 VanDerWaalsContact C-N 3.33Å; M491-V493 HydrophobicContact CB-CG2 4.12Å; M491-V493 HydrophobicContact CE-CG2 4.3Å; M491-V493 PolarHBondContact O-N 3.21Å; M491-V493 VanDerWaalsContact O-N 3.09Å; V493-Q495 PolarHBondContact O-N 3.34Å |
| 494 | G | 37.1 | Very low | 37.7 | Very low | 66 Ų | 66 | 142.3 Ų | 142.3 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | | | trans | -67.7 | 98 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q492 Q496 | Q492-G494 PolarHBondContact O-N 3.11Å; G494-Q496 PolarHBondContact O-N 3.29Å |
| 495 | Q | 33.5 | Very low | 37.8 | Very low | 141 Ų | 141 | 139.9 Ų | 139.9 | 66% | 0.659 | 77% | 0.765 | S | S | * | * | | | trans | -64.4 | 102.1 | 178.3 | -172.4 | 176.6 | 36.9 | 0 | 0 | 110.3 | V493 V497 | V493-Q495 PolarHBondContact O-N 3.34Å; Q495-V497 HydrophobicContact CG-CG2 4.41Å; Q495-V497 PolarHBondContact O-N 2.89Å |
| 496 | Q | 34.6 | Very low | 38 | Very low | 190 Ų | 190 | 137.8 Ų | 137.8 | 89% | 0.888 | 77% | 0.766 | S | S | * | * | | | trans | -72.7 | 115.6 | 167.3 | -72.2 | -162.7 | 3 | 0 | 0 | 109.3 | G494 | G494-Q496 PolarHBondContact O-N 3.29Š|
| 497 | V | 39.5 | Very low | 37.7 | Very low | 86 Ų | 86 | 139.9 Ų | 139.9 | 52% | 0.521 | 77% | 0.769 | S | S | . | * | | | trans | -93.9 | 110.1 | 166.7 | -178.3 | 0 | 0 | 0 | 0 | 107.4 | Q495 F499 | Q495-V497 HydrophobicContact CG-CG2 4.41Å; Q495-V497 PolarHBondContact O-N 2.89Å; V497-F499 HydrophobicContact CB-CE2 3.9Å; V497-F499 HydrophobicContact CB-CZ 4.11Å; V497-F499 HydrophobicContact CG1-CD1 4.45Å; V497-F499 HydrophobicContact CG1-CD2 4.25Å; V497-F499 HydrophobicContact CG1-CE1 3.97Å; V497-F499 HydrophobicContact CG1-CE2 3.75Å; V497-F499 HydrophobicContact CG1-CZ 3.6Å; V497-F499 VanDerWaalsContact O-CD2 3.3Å; V497-F499 WeakPolarHBondContact O-CD2 3.5Å; V497-F499 PolarHBondContact O-N 2.98Å |
| 498 | E | 33.8 | Very low | 38.2 | Very low | 136 Ų | 136 | 136.8 Ų | 136.8 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | | | trans | -85.8 | 101.7 | 179 | -165.4 | -174.8 | 173.2 | 0 | 0 | 110.8 | R500 | E498-R500 HydrophobicContact CG-CG 4.3Å; E498-R500 PolarHBondContact O-N 3.15Å; E498-R500 VanDerWaalsContact O-N 3.16Å; E498-R500 IonicContact OE1-CZ 2.56Å; E498-R500 IonicContact OE1-NE 2.57Å; E498-R500 PolarHBondContact OE1-NE 3.39Å; E498-R500 IonicContact OE1-NH2 3.79Å; E498-R500 PolarHBondContact OE1-NH2 2.91Å; E498-R500 IonicContact OE2-NE 2.77Å |
| 499 | F | 36 | Very low | 38.1 | Very low | 175 Ų | 175 | 134 Ų | 134 | 77% | 0.768 | 76% | 0.756 | S | S | * | * | | | trans | -77.5 | 99.2 | 179.9 | -64.7 | -86.4 | 0 | 0 | 0 | 111.9 | V497 | V497-F499 HydrophobicContact CB-CE2 3.9Å; V497-F499 HydrophobicContact CB-CZ 4.11Å; V497-F499 HydrophobicContact CG1-CD1 4.45Å; V497-F499 HydrophobicContact CG1-CD2 4.25Å; V497-F499 HydrophobicContact CG1-CE1 3.97Å; V497-F499 HydrophobicContact CG1-CE2 3.75Å; V497-F499 HydrophobicContact CG1-CZ 3.6Å; V497-F499 VanDerWaalsContact O-CD2 3.3Å; V497-F499 WeakPolarHBondContact O-CD2 3.5Å; V497-F499 PolarHBondContact O-N 2.98Å |
| 500 | R | 34 | Very low | 38.1 | Very low | 196 Ų | 196 | 140.8 Ų | 140.8 | 74% | 0.74 | 76% | 0.76 | S | S | * | * | | | trans | -103 | 81.2 | 174.6 | -71.4 | -171.9 | 172.1 | -107.4 | -8.1 | 112.7 | E498 | E498-R500 HydrophobicContact CG-CG 4.3Å; E498-R500 PolarHBondContact O-N 3.15Å; E498-R500 VanDerWaalsContact O-N 3.16Å; E498-R500 IonicContact OE1-CZ 2.56Å; E498-R500 IonicContact OE1-NE 2.57Å; E498-R500 PolarHBondContact OE1-NE 3.39Å; E498-R500 IonicContact OE1-NH2 3.79Å; E498-R500 PolarHBondContact OE1-NH2 2.91Å; E498-R500 IonicContact OE2-NE 2.77Å |
| 501 | S | 31.5 | Very low | 38.1 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | | | trans | -78.1 | 120 | 173.1 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 502 | V | 38.7 | Very low | 38 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | | | trans | -112.6 | 110 | 172.7 | -179 | 0 | 0 | 0 | 0 | 109.5 | T504 | V502-T504 PolarHBondContact O-N 3.35Š|
| 503 | A | 33.3 | Very low | 37.9 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | | | trans | -94.1 | 90.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | A505 | A503-A505 PolarHBondContact O-N 3.08Š|
| 504 | T | 42.7 | Very low | 37.7 | Very low | 126 Ų | 126 | 131.7 Ų | 131.7 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | | | trans | -76.9 | 112.3 | 173.8 | -47.5 | 0 | 0 | 0 | 0 | 109.9 | V502 | V502-T504 PolarHBondContact O-N 3.35Š|
| 505 | A | 40.1 | Very low | 37.6 | Very low | 77 Ų | 77 | 134.7 Ų | 134.7 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | | | trans | -61.7 | 149.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A503 M507 | A503-A505 PolarHBondContact O-N 3.08Å; A505-M507 PolarHBondContact O-N 3.49Å |
| 506 | P | 38.3 | Very low | 37.9 | Very low | 126 Ų | 126 | 134.3 Ų | 134.3 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | trans | -66.4 | 108.3 | -174.5 | 25.9 | -34.7 | 0 | 0 | 0 | 112.1 | T508 | P506-T508 PolarHBondContact O-N 3.02Š|
| 507 | M | 39.2 | Very low | 37.8 | Very low | 169 Ų | 169 | 134.7 Ų | 134.7 | 83% | 0.833 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 116.3 | 173.5 | -77.3 | -63.5 | -65.9 | 0 | 0 | 110.5 | A505 P509 | A505-M507 PolarHBondContact O-N 3.49Å; M507-P509 WeakPolarHBondContact O-CD 3.4Å |
| 508 | T | 50.5 | Low | 37.8 | Very low | 123 Ų | 123 | 135.7 Ų | 135.7 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 121.9 | 178 | -55 | 0 | 0 | 0 | 0 | 109.7 | P506 R510 | P506-T508 PolarHBondContact O-N 3.02Å; T508-R510 PolarHBondContact O-N 3.43Å |
| 509 | P | 36 | Very low | 37.8 | Very low | 88 Ų | 88 | 137.5 Ų | 137.5 | 57% | 0.571 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 126.1 | 175.7 | 26.8 | -33.4 | 0 | 0 | 0 | 109.9 | M239 M507 T511 | M239-P509 HydrophobicContact CE-CG 4.16Å; M507-P509 WeakPolarHBondContact O-CD 3.4Å; P509-T511 PolarHBondContact O-N 3.3Å |
| 510 | R | 41.3 | Very low | 37.9 | Very low | 245 Ų | 245 | 136.6 Ų | 136.6 | 93% | 0.925 | 78% | 0.781 | S | S | * | * | | | trans | -69.1 | 109.9 | 172.4 | -88 | 179.7 | 156.6 | 179.7 | -6.6 | 109.5 | T508 | T508-R510 PolarHBondContact O-N 3.43Š|
| 511 | T | 38.7 | Very low | 38.1 | Very low | 129 Ų | 129 | 135.4 Ų | 135.4 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 127.3 | 167 | -10.3 | 0 | 0 | 0 | 0 | 109.4 | P509 | P509-T511 PolarHBondContact O-N 3.3Š|
| 512 | P | 37.4 | Very low | 38.6 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 137.4 | 167.4 | 27.5 | -32.7 | 0 | 0 | 0 | 109.1 | A514 | P512-A514 PolarHBondContact O-N 3.2Š|
| 513 | V | 39.1 | Very low | 38.5 | Very low | 139 Ų | 139 | 142.3 Ų | 142.3 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -66 | 131.7 | 174.9 | 176.4 | 0 | 0 | 0 | 0 | 108.5 | T515 | V513-T515 PolarHBondContact O-N 3Å; V513-T515 VanDerWaalsContact O-N 3.11Å |
| 514 | A | 35.6 | Very low | 38.6 | Very low | 91 Ų | 91 | 143.5 Ų | 143.5 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | | | trans | -61.5 | 114.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | P512 T516 | P512-A514 PolarHBondContact O-N 3.2Å; A514-T516 PolarHBondContact O-N 3.23Å |
| 515 | T | 36.9 | Very low | 38.7 | Very low | 128 Ų | 128 | 142.6 Ų | 142.6 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 122.1 | 169.4 | 48.8 | 0 | 0 | 0 | 0 | 109.2 | V513 F517 | V513-T515 PolarHBondContact O-N 3Å; V513-T515 VanDerWaalsContact O-N 3.11Å; T515-F517 PolarHBondContact O-N 3.11Å |
| 516 | T | 38 | Very low | 38.6 | Very low | 133 Ų | 133 | 145.4 Ų | 145.4 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 125.6 | 176.5 | 47.4 | 0 | 0 | 0 | 0 | 111 | A514 | A514-T516 PolarHBondContact O-N 3.23Š|
| 517 | F | 33.3 | Very low | 39.1 | Very low | 198 Ų | 198 | 147.5 Ų | 147.5 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 132.8 | 171.1 | -82.7 | -97.1 | 0 | 0 | 0 | 110.6 | T515 | T515-F517 PolarHBondContact O-N 3.11Š|
| 518 | P | 39.6 | Very low | 39.6 | Very low | 108 Ų | 108 | 147 Ų | 147 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 139.6 | 167.1 | 29.7 | -32.9 | 0 | 0 | 0 | 110.5 | I520 | P518-I520 PolarHBondContact O-N 3.39Š|
| 519 | E | 33 | Very low | 39.3 | Very low | 174 Ų | 174 | 147.1 Ų | 147.1 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | | | trans | -75.2 | 103.4 | -175.5 | -174.9 | -179.5 | -132.7 | 0 | 0 | 111.5 | K521 | E519-K521 PolarHBondContact O-N 3.19Š|
| 520 | I | 39.7 | Very low | 39.9 | Very low | 155 Ų | 155 | 149.4 Ų | 149.4 | 80% | 0.795 | 78% | 0.778 | S | S | * | * | | | trans | -76.2 | 106.7 | 177.5 | -53.8 | 177.6 | 0 | 0 | 0 | 109.6 | P518 | P518-I520 PolarHBondContact O-N 3.39Š|
| 521 | K | 38.1 | Very low | 40.2 | Very low | 172 Ų | 172 | 142.2 Ų | 142.2 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | | | trans | -70.3 | 134.3 | 170.1 | -65.6 | 179.3 | -178.5 | 176.2 | 0 | 109.9 | E519 E523 | E519-K521 PolarHBondContact O-N 3.19Å; K521-E523 PolarHBondContact O-N 3.44Å |
| 522 | K | 41.9 | Very low | 40.8 | Very low | 210 Ų | 210 | 143.4 Ų | 143.4 | 91% | 0.913 | 76% | 0.758 | S | S | * | * | | | trans | -81.2 | 100.2 | -179 | -66 | -179 | 178.5 | -177 | 0 | 111.3 | | |
| 523 | E | 35.9 | Very low | 41.3 | Very low | 179 Ų | 179 | 144.6 Ų | 144.6 | 84% | 0.836 | 75% | 0.753 | S | S | * | * | | | trans | -132.9 | 116.6 | 164.9 | -70 | -169.5 | 179.2 | 0 | 0 | 112.4 | K521 | K521-E523 PolarHBondContact O-N 3.44Š|
| 524 | V | 36.4 | Very low | 41.6 | Very low | 128 Ų | 128 | 145.7 Ų | 145.7 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | | | trans | 51.5 | 110.5 | 148.2 | -164.6 | 0 | 0 | 0 | 0 | 120.5 | | |
| 525 | S | 43.3 | Very low | 42.4 | Very low | 107 Ų | 107 | 147.1 Ų | 147.1 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | | | trans | 16.7 | 120.7 | 138.4 | -177.4 | 0 | 0 | 0 | 0 | 119.7 | | |
| 526 | I | 38.2 | Very low | 43.1 | Very low | 135 Ų | 135 | 148.5 Ų | 148.5 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | | | trans | -136.3 | 85.9 | 163.1 | -49.2 | 177.4 | 0 | 0 | 0 | 110.1 | E528 K529 | I526-E528 HydrophobicContact CG2-CB 4.26Å; I526-E528 PolarHBondContact O-N 3.29Å; I526-K529 HydrophobicContact CG2-CB 4.2Å |
| 527 | E | 49.8 | Very low | 43.5 | Very low | 170 Ų | 170 | 148.9 Ų | 148.9 | 79% | 0.794 | 73% | 0.728 | S | S | * | * | | | trans | -77.1 | -2 | 169.5 | -159.1 | 68.3 | -164.7 | 0 | 0 | 111.7 | | |
| 528 | E | 49.8 | Very low | 44 | Very low | 160 Ų | 160 | 143.2 Ų | 143.2 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | | | trans | -95.5 | -11.8 | -164.8 | -157.3 | 161.7 | -153 | 0 | 0 | 113.8 | I526 I530 | I526-E528 HydrophobicContact CG2-CB 4.26Å; I526-E528 PolarHBondContact O-N 3.29Å; E528-I530 PolarHBondContact O-N 3.05Å |
| 529 | K | 44.1 | Very low | 44.6 | Very low | 124 Ų | 124 | 146.8 Ų | 146.8 | 54% | 0.539 | 71% | 0.712 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.7 | 32.9 | -176.3 | -152.3 | -166.7 | 166.7 | -71.3 | 0 | 114.5 | I526 E533 | I526-K529 HydrophobicContact CG2-CB 4.2Å; K529-E533 IonicContact NZ-OE1 3.12Å; K529-E533 PolarHBondContact NZ-OE1 3.16Å |
| 530 | I | 47.4 | Very low | 45.5 | Very low | 136 Ų | 136 | 146.3 Ų | 146.3 | 70% | 0.697 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.5 | -2.6 | 175.9 | -53.7 | 180 | 0 | 0 | 0 | 111.1 | E528 | E528-I530 PolarHBondContact O-N 3.05Š|
| 531 | V | 48.2 | Very low | 45.8 | Very low | 95 Ų | 95 | 145.9 Ų | 145.9 | 58% | 0.576 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -95 | -46.7 | -179.3 | -178.1 | 0 | 0 | 0 | 0 | 112.7 | E533 K534 | V531-E533 PolarHBondContact O-N 3.27Å; V531-K534 PolarHBondContact O-N 3.32Å |
| 532 | E | 50.7 | Low | 45.9 | Very low | 154 Ų | 154 | 144.3 Ų | 144.3 | 72% | 0.72 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -63.5 | -44.6 | -173.7 | -68.2 | -172.3 | 127.1 | 0 | 0 | 113.7 | K534 E535 | E532-K534 PolarHBondContact O-N 3.26Å; E532-E535 PolarHBondContact O-N 3.45Å; E532-E535 VanDerWaalsContact O-N 3.09Å |
| 533 | E | 48 | Very low | 45.8 | Very low | 141 Ų | 141 | 140.1 Ų | 140.1 | 66% | 0.659 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -64.1 | -7.2 | 179.5 | -71.1 | 178.2 | -165.3 | 0 | 0 | 113.5 | K529 V531 | K529-E533 IonicContact NZ-OE1 3.12Å; K529-E533 PolarHBondContact NZ-OE1 3.16Å; V531-E533 PolarHBondContact O-N 3.27Å |
| 534 | K | 46.1 | Very low | 46.1 | Very low | 161 Ų | 161 | 139.8 Ų | 139.8 | 70% | 0.7 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -103.6 | -13.8 | 178.2 | -158.6 | 170.9 | -175.8 | 176.2 | 0 | 114 | V531 E532 | V531-K534 PolarHBondContact O-N 3.32Å; E532-K534 PolarHBondContact O-N 3.26Å |
| 535 | E | 51.6 | Low | 46 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 57% | 0.565 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -89.9 | -28.2 | 176 | -70.4 | -147.7 | 147.5 | 0 | 0 | 113.3 | E532 S538 | E532-E535 PolarHBondContact O-N 3.45Å; E532-E535 VanDerWaalsContact O-N 3.09Å; E535-S538 PolarHBondContact O-N 3.05Å; E535-S538 PolarHBondContact O-OG 3.25Å |
| 536 | E | 51.8 | Low | 45.6 | Very low | 158 Ų | 158 | 140.7 Ų | 140.7 | 74% | 0.738 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -66.6 | -46.2 | 178.2 | -68.1 | -155.1 | 124.7 | 0 | 0 | 112.8 | S538 R539 | E536-S538 PolarHBondContact O-N 3.4Å; E536-S538 VanDerWaalsContact O-N 3.14Å; E536-R539 PolarHBondContact O-N 3.15Å |
| 537 | E | 46.8 | Very low | 45.3 | Very low | 140 Ų | 140 | 144 Ų | 144 | 65% | 0.654 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -56.8 | -32.6 | 176.5 | -171.3 | -178.3 | -162.8 | 0 | 0 | 112.1 | R539 | E537-R539 VanDerWaalsContact C-N 3.26Å; E537-R539 PolarHBondContact O-N 2.87Å |
| 538 | S | 43.9 | Very low | 44.4 | Very low | 79 Ų | 79 | 145.2 Ų | 145.2 | 55% | 0.552 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -71.1 | -18.1 | 179 | 82.9 | 0 | 0 | 0 | 0 | 114.2 | E535 E536 | E535-S538 PolarHBondContact O-N 3.05Å; E535-S538 PolarHBondContact O-OG 3.25Å; E536-S538 PolarHBondContact O-N 3.4Å; E536-S538 VanDerWaalsContact O-N 3.14Å |
| 539 | R | 51.8 | Low | 43.7 | Very low | 183 Ų | 183 | 143.5 Ų | 143.5 | 69% | 0.691 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -95 | -27.4 | -170.8 | -165.7 | 171.4 | -69.2 | -113.7 | 2.5 | 113.4 | E536 E537 | E536-R539 PolarHBondContact O-N 3.15Å; E537-R539 VanDerWaalsContact C-N 3.26Å; E537-R539 PolarHBondContact O-N 2.87Å |
| 540 | E | 52 | Low | 43.2 | Very low | 164 Ų | 164 | 143.4 Ų | 143.4 | 77% | 0.766 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -77.5 | -35.7 | -179.5 | -59.9 | -156.5 | 132.4 | 0 | 0 | 112.9 | L542 V543 | E540-L542 PolarHBondContact O-N 3.05Å; E540-L542 VanDerWaalsContact O-N 3.1Å; E540-V543 PolarHBondContact O-N 2.9Å |
| 541 | Q | 45.5 | Very low | 42.3 | Very low | 146 Ų | 146 | 144.9 Ų | 144.9 | 68% | 0.682 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -11.4 | -178.9 | -64.4 | -171 | 11.5 | 0 | 0 | 114.7 | | |
| 542 | L | 41.1 | Very low | 41.4 | Very low | 139 Ų | 139 | 148 Ų | 148 | 73% | 0.728 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -13.9 | -177.8 | -170.2 | 56 | 0 | 0 | 0 | 113.7 | E540 | E540-L542 PolarHBondContact O-N 3.05Å; E540-L542 VanDerWaalsContact O-N 3.1Å |
| 543 | V | 40.6 | Very low | 40.2 | Very low | 122 Ų | 122 | 146.4 Ų | 146.4 | 74% | 0.739 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -86.7 | -28 | -168.9 | -175.5 | 0 | 0 | 0 | 0 | 113.6 | E540 | E540-V543 PolarHBondContact O-N 2.9Š|
| 544 | E | 40.6 | Very low | 39.4 | Very low | 172 Ų | 172 | 147.5 Ų | 147.5 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -83.1 | -22.9 | -172.9 | -164.4 | 165.9 | -161.8 | 0 | 0 | 114.1 | | |
| 545 | N | 35.1 | Very low | 38.5 | Very low | 140 Ų | 140 | 147.3 Ų | 147.3 | 75% | 0.749 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -100.6 | 26.2 | -165.2 | -78.9 | -59.6 | 0 | 0 | 0 | 116.6 | | |
| 546 | T | 35.7 | Very low | 37.4 | Very low | 114 Ų | 114 | 148.4 Ų | 148.4 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | | | trans | -143.3 | 87.3 | 172.1 | 42.9 | 0 | 0 | 0 | 0 | 115.6 | | |
| 547 | K | 31.3 | Very low | 36.3 | Very low | 206 Ų | 206 | 146.5 Ų | 146.5 | 90% | 0.896 | 74% | 0.74 | S | S | * | * | | | trans | -167 | 70.3 | 150.5 | -111.9 | 155.3 | -170.3 | 165.9 | 0 | 114.8 | | |
| 548 | E | 31.1 | Very low | 35.5 | Very low | 194 Ų | 194 | 148.6 Ų | 148.6 | 91% | 0.907 | 75% | 0.75 | S | S | * | * | | | trans | -78.4 | 159.6 | 153.7 | -68.9 | -153.6 | 148.8 | 0 | 0 | 111.3 | | |
| 549 | V | 34.6 | Very low | 35.1 | Very low | 124 Ų | 124 | 153.6 Ų | 153.6 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | | | trans | -109.7 | 133.6 | -168.5 | 174.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 550 | P | 34.2 | Very low | 34 | Very low | 122 Ų | 122 | 152.1 Ų | 152.1 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | | | trans | -104.1 | 156.1 | 145.9 | 33.9 | -28.1 | 0 | 0 | 0 | 111.8 | | |
| 551 | K | 28.1 | Very low | 33 | Very low | 168 Ų | 168 | 148.9 Ų | 148.9 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | | | trans | -106 | -178.3 | -169 | -53.3 | 172.3 | -178.8 | 172.2 | 0 | 112.7 | | |
| 552 | E | 28.1 | Very low | 32.4 | Very low | 160 Ų | 160 | 150.1 Ų | 150.1 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | | | trans | 76.4 | 146.3 | 144.6 | -88.5 | 163 | -114.1 | 0 | 0 | 116.7 | | |
| 553 | V | 26.4 | Very low | 31.9 | Very low | 121 Ų | 121 | 146.6 Ų | 146.6 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | | | cis | -140.3 | 168.9 | 4.5 | -159.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 554 | E | 30.7 | Very low | 31.5 | Very low | 164 Ų | 164 | 150.8 Ų | 150.8 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | | | trans | 99.6 | 147.8 | 153.7 | -57.5 | -146 | 113.9 | 0 | 0 | 119.8 | | |
| 555 | K | 28.2 | Very low | 31.1 | Very low | 157 Ų | 157 | 148.5 Ų | 148.5 | 68% | 0.683 | 77% | 0.77 | S | S | * | * | | | cis | 172 | 132.2 | -41.7 | 159.4 | -178.1 | 170.4 | -161.4 | 0 | 109.6 | | |
| 556 | L | 29 | Very low | 31.1 | Very low | 144 Ų | 144 | 145.7 Ų | 145.7 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | | | trans | 65.3 | 152.6 | 177.2 | -60.9 | 160.2 | 0 | 0 | 0 | 114.3 | | |
| 557 | T | 27.6 | Very low | 30.9 | Very low | 117 Ų | 117 | 147.1 Ų | 147.1 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | | | cis | -144.6 | 158 | 3.3 | -25 | 0 | 0 | 0 | 0 | 112.3 | | |
| 558 | Q | 31.2 | Very low | 30.9 | Very low | 184 Ų | 184 | 143.6 Ų | 143.6 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | | | trans | -30.1 | 145.5 | 171.4 | -58.8 | 162 | -13.8 | 0 | 0 | 119.2 | | |
| 559 | K | 33.5 | Very low | 30.9 | Very low | 184 Ų | 184 | 140.1 Ų | 140.1 | 80% | 0.8 | 74% | 0.74 | S | S | * | * | | | | -160 | 161.6 | 103.3 | -158.1 | 160.7 | 179.9 | -177.9 | 0 | 113.3 | | |
| 560 | E | 29.1 | Very low | 30.8 | Very low | 153 Ų | 153 | 143.5 Ų | 143.5 | 72% | 0.715 | 75% | 0.745 | S | S | * | * | | | trans | -46.4 | 169.6 | 176.7 | -64.5 | 157.4 | 99.4 | 0 | 0 | 117.6 | | |
| 561 | S | 31.9 | Very low | 30.6 | Very low | 95 Ų | 95 | 144.5 Ų | 144.5 | 66% | 0.664 | 74% | 0.743 | S | S | * | * | | | cis | -177.1 | -177 | -28.5 | 68.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 562 | I | 33.1 | Very low | 30.5 | Very low | 173 Ų | 173 | 142 Ų | 142 | 89% | 0.887 | 75% | 0.746 | S | S | * | * | | | trans | 73.9 | 122 | -178.1 | -48.6 | 168.1 | 0 | 0 | 0 | 113.5 | | |
| 563 | G | 29.1 | Very low | 30.5 | Very low | 65 Ų | 65 | 141.5 Ų | 141.5 | 67% | 0.67 | 74% | 0.741 | S | S | * | * | | | cis | -179.2 | 135.6 | -7.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 564 | E | 33 | Very low | 30.9 | Very low | 209 Ų | 209 | 142.6 Ų | 142.6 | 98% | 0.977 | 74% | 0.739 | S | S | * | * | | | trans | 64.1 | 149.1 | 167.3 | -66.3 | -178.6 | 114.4 | 0 | 0 | 120.4 | | |
| 565 | D | 32.1 | Very low | 30.9 | Very low | 124 Ų | 124 | 142.4 Ų | 142.4 | 66% | 0.663 | 74% | 0.735 | S | S | * | * | | | trans | -110.7 | 176.7 | -150.1 | -143.5 | 27.1 | 0 | 0 | 0 | 109.7 | K567 | D565-K567 IonicContact OD2-NZ 2.7Å; D565-K567 PolarHBondContact OD2-NZ 2.92Å |
| 566 | S | 34.9 | Very low | 31 | Very low | 81 Ų | 81 | 141 Ų | 141 | 57% | 0.566 | 74% | 0.735 | S | S | * | * | | | cis | -158 | 168.1 | 25.1 | -147.7 | 0 | 0 | 0 | 0 | 115.4 | | |
| 567 | K | 32.5 | Very low | 31.6 | Very low | 145 Ų | 145 | 143.5 Ų | 143.5 | 63% | 0.63 | 74% | 0.743 | S | S | * | * | | | trans | -2.4 | 153.3 | 134.1 | -51.6 | 178.7 | -164.5 | 74.4 | 0 | 117.7 | D565 | D565-K567 IonicContact OD2-NZ 2.7Å; D565-K567 PolarHBondContact OD2-NZ 2.92Å |
| 568 | D | 30.6 | Very low | 31.9 | Very low | 131 Ų | 131 | 146.9 Ų | 146.9 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | | | cis | -133.8 | 138.7 | 26.6 | -93.8 | -61.8 | 0 | 0 | 0 | 112.9 | | |
| 569 | V | 31.9 | Very low | 32.2 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | | | | 53.1 | 87.7 | 96 | -174 | 0 | 0 | 0 | 0 | 112 | | |
| 570 | K | 30.9 | Very low | 31.9 | Very low | 196 Ų | 196 | 142.9 Ų | 142.9 | 85% | 0.852 | 75% | 0.745 | S | S | * | * | | | | 84.6 | 107.4 | 76.4 | -171.1 | 179 | -173.1 | 178.8 | 0 | 113.9 | | |
| 571 | N | 30.4 | Very low | 32.5 | Very low | 142 Ų | 142 | 142.3 Ų | 142.3 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | | | trans | -31.8 | 134.9 | 168.2 | 174.2 | 31.4 | 0 | 0 | 0 | 116.8 | | |
| 572 | C | 26.6 | Very low | 32.9 | Very low | 117 Ų | 117 | 144.8 Ų | 144.8 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | | | trans | -175.8 | 152.6 | 139.5 | -98.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 573 | K | 27.7 | Very low | 33.4 | Very low | 149 Ų | 149 | 142.2 Ų | 142.2 | 65% | 0.648 | 74% | 0.739 | S | S | * | * | | | cis | -170.7 | 147.1 | -25.2 | -167.3 | -166.3 | 177 | -145.6 | 0 | 105.9 | | |
| 574 | E | 35.6 | Very low | 34.4 | Very low | 144 Ų | 144 | 144.1 Ų | 144.1 | 67% | 0.673 | 74% | 0.737 | S | S | * | * | | | trans | 55.9 | 133 | 167.7 | -77.7 | 165.3 | 79.5 | 0 | 0 | 118.6 | | |
| 575 | K | 29.3 | Very low | 35.4 | Very low | 159 Ų | 159 | 142 Ų | 142 | 69% | 0.691 | 73% | 0.727 | S | S | * | * | | | | -175.3 | 153 | 99.1 | -108.1 | -177.4 | 150.4 | -73.3 | 0 | 115.7 | | |
| 576 | D | 31.2 | Very low | 36.2 | Very low | 127 Ų | 127 | 144.8 Ų | 144.8 | 68% | 0.679 | 74% | 0.736 | S | S | * | * | | | trans | 66.3 | 144.3 | 147.6 | -59.1 | -19.3 | 0 | 0 | 0 | 120.9 | | |
| 577 | E | 40.6 | Very low | 37.4 | Very low | 198 Ų | 198 | 143.9 Ų | 143.9 | 93% | 0.925 | 73% | 0.727 | S | S | * | * | | | trans | -73.3 | 134.7 | 175.3 | -52 | 167.3 | 145.8 | 0 | 0 | 109.4 | | |
| 578 | E | 35 | Very low | 38.3 | Very low | 188 Ų | 188 | 142.2 Ų | 142.2 | 88% | 0.879 | 73% | 0.734 | S | S | * | * | | | trans | -123.2 | 137.5 | 162.2 | -170.3 | 158 | -135.6 | 0 | 0 | 110.7 | C580 | E578-C580 PolarHBondContact O-N 3.1Š|
| 579 | K | 36.8 | Very low | 39.5 | Very low | 150 Ų | 150 | 144.2 Ų | 144.2 | 65% | 0.652 | 73% | 0.731 | S | S | * | * | | | trans | -65 | 127.6 | 174.8 | -64.9 | 168.8 | 163.3 | -166.8 | 0 | 109.8 | E581 | K579-E581 HydrophobicContact CB-CG 4.27Å; K579-E581 HydrophobicContact CD-CG 4.13Å; K579-E581 WeakPolarHBondContact CE-OE1 3.38Å; K579-E581 IonicContact NZ-OE1 3.62Å; K579-E581 PolarHBondContact NZ-OE1 3.4Å; K579-E581 IonicContact NZ-OE2 2.68Å; K579-E581 PolarHBondContact O-N 3.43Å |
| 580 | C | 26.7 | Very low | 41.2 | Very low | 133 Ų | 133 | 141.5 Ų | 141.5 | 90% | 0.899 | 71% | 0.713 | S | S | * | * | | | trans | -89.1 | 92.5 | 149.9 | -69.2 | 0 | 0 | 0 | 0 | 108.2 | E578 | E578-C580 PolarHBondContact O-N 3.1Š|
| 581 | E | 41.7 | Very low | 42.9 | Very low | 142 Ų | 142 | 142 Ų | 142 | 66% | 0.664 | 72% | 0.718 | S | S | * | * | | | trans | -80.1 | 121.9 | 163.7 | -79.6 | 173.2 | 161.5 | 0 | 0 | 108.7 | K579 | K579-E581 HydrophobicContact CB-CG 4.27Å; K579-E581 HydrophobicContact CD-CG 4.13Å; K579-E581 WeakPolarHBondContact CE-OE1 3.38Å; K579-E581 IonicContact NZ-OE1 3.62Å; K579-E581 PolarHBondContact NZ-OE1 3.4Å; K579-E581 IonicContact NZ-OE2 2.68Å; K579-E581 PolarHBondContact O-N 3.43Å |
| 582 | E | 41.6 | Very low | 44.5 | Very low | 147 Ų | 147 | 143.1 Ų | 143.1 | 69% | 0.687 | 72% | 0.716 | S | S | * | * | | | trans | 69.3 | 163.1 | 167.2 | -80.1 | -158.5 | 61 | 0 | 0 | 117 | V584 | E582-V584 HydrophobicContact CG-CG2 4.07Å; E582-V584 WeakPolarHBondContact OE1-CB 3.33Å; E582-V584 PolarHBondContact OE1-N 3.13Å |
| 583 | P | 43.8 | Very low | 46.2 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 77% | 0.773 | 70% | 0.701 | S | S | * | * | | | cis | -91.7 | 132.9 | 32.5 | 34.5 | -35.3 | 0 | 0 | 0 | 116.8 | Q585 | P583-Q585 PolarHBondContact O-N 3.18Š|
| 584 | V | 48.7 | Very low | 47.1 | Very low | 104 Ų | 104 | 139.3 Ų | 139.3 | 63% | 0.63 | 70% | 0.703 | S | S | * | * | | | trans | -76.4 | 108.5 | 148.6 | 174.7 | 0 | 0 | 0 | 0 | 107.4 | E582 E586 | E582-V584 HydrophobicContact CG-CG2 4.07Å; E582-V584 WeakPolarHBondContact OE1-CB 3.33Å; E582-V584 PolarHBondContact OE1-N 3.13Å; V584-E586 PolarHBondContact O-N 3.25Å |
| 585 | Q | 55.8 | Low | 47.9 | Very low | 166 Ų | 166 | 134.2 Ų | 134.2 | 78% | 0.776 | 68% | 0.682 | S | S | * | * | | | trans | -71.8 | 120.8 | 177.2 | -170.1 | 164 | -8.8 | 0 | 0 | 110 | P583 | P583-Q585 PolarHBondContact O-N 3.18Š|
| 586 | E | 47.2 | Very low | 49 | Very low | 182 Ų | 182 | 134.3 Ų | 134.3 | 85% | 0.85 | 68% | 0.678 | S | S | * | * | | | trans | -60 | 137.7 | -173.9 | -68.4 | -170.5 | 134.3 | 0 | 0 | 112.6 | V584 S588 | V584-E586 PolarHBondContact O-N 3.25Å; E586-S588 PolarHBondContact O-N 3.34Å |
| 587 | V | 61.7 | Low | 49.8 | Very low | 62 Ų | 62 | 136.3 Ų | 136.3 | 38% | 0.376 | 68% | 0.683 | S | S | . | * | | | trans | -87 | 92.1 | -172.5 | -166.4 | 0 | 0 | 0 | 0 | 110.2 | W589 T595 W596 | V587-W589 VanDerWaalsContact O-CD1 3.24Å; V587-W589 PolarHBondContact O-N 2.79Å; V587-T595 HydrophobicContact CG1-CG2 3.76Å; V587-W596 HydrophobicContact CB-CZ2 4.1Å; V587-W596 HydrophobicContact CG1-CH2 4.3Å; V587-W596 HydrophobicContact CG1-CZ2 3.62Å; V587-W596 HydrophobicContact CG2-CH2 3.88Å; V587-W596 HydrophobicContact CG2-CZ2 3.4Å; V587-W596 VanDerWaalsContact CG2-CZ2 3.4Å |
| 588 | S | 51.6 | Low | 50.2 | Low | 110 Ų | 110 | 130.4 Ų | 130.4 | 77% | 0.769 | 66% | 0.661 | S | S | * | * | | | trans | -71.8 | 112.5 | 169.9 | 59.9 | 0 | 0 | 0 | 0 | 110.5 | E586 | E586-S588 PolarHBondContact O-N 3.34Š|
| 589 | W | 55.6 | Low | 50.9 | Low | 172 Ų | 172 | 131.5 Ų | 131.5 | 65% | 0.652 | 66% | 0.658 | S | S | * | * | | | trans | -80.7 | 138.2 | 168.5 | -62.2 | 75 | 0 | 0 | 0 | 109.4 | V587 T595 | V587-W589 VanDerWaalsContact O-CD1 3.24Å; V587-W589 PolarHBondContact O-N 2.79Å; W589-T595 HydrophobicContact CB-CG2 4.19Å; W589-T595 HydrophobicContact CD2-CG2 3.26Å; W589-T595 HydrophobicContact CE3-CG2 3.36Å; W589-T595 HydrophobicContact CG-CG2 3.67Å; W589-T595 HydrophobicContact CH2-CG2 4.03Å; W589-T595 WeakPolarHBondContact CH2-OG1 3.48Å; W589-T595 HydrophobicContact CZ2-CG2 3.97Å; W589-T595 HydrophobicContact CZ3-CG2 3.75Å; W589-T595 WeakPolarHBondContact CZ3-OG1 3.31Å |
| 590 | D | 66.8 | Low | 51.5 | Low | 65 Ų | 65 | 127.7 Ų | 127.7 | 35% | 0.348 | 66% | 0.661 | S | S | . | * | | | trans | -85 | 165.2 | 170.1 | 90.4 | -33.6 | 0 | 0 | 0 | 111.1 | K592 G593 M594 | D590-K592 PolarHBondContact O-N 3.31Å; D590-K592 PolarHBondContact OD1-N 3.3Å; D590-K592 VanDerWaalsContact OD1-N 3.15Å; D590-G593 PolarHBondContact O-N 3.18Å; D590-G593 PolarHBondContact OD1-N 3.12Å; D590-M594 PolarHBondContact OD1-N 3.3Å |
| 591 | E | 67.7 | Low | 52.5 | Low | 207 Ų | 207 | 124.5 Ų | 124.5 | 97% | 0.967 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | 3.1 | 179.8 | -61.8 | -178.6 | 142.2 | 0 | 0 | 113.9 | | |
| 592 | K | 62.6 | Low | 52.9 | Low | 164 Ų | 164 | 123.8 Ų | 123.8 | 71% | 0.713 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.6 | 2.7 | 178.1 | -60.3 | 164.5 | -172.9 | 160.5 | 0 | 112.4 | D590 M594 | D590-K592 PolarHBondContact O-N 3.31Å; D590-K592 PolarHBondContact OD1-N 3.3Å; D590-K592 VanDerWaalsContact OD1-N 3.15Å; K592-M594 VanDerWaalsContact C-N 3.29Å; K592-M594 HydrophobicContact CB-CE 4.44Å; K592-M594 HydrophobicContact CD-CE 4.49Å; K592-M594 PolarHBondContact O-N 3Å |
| 593 | G | 62 | Low | 54.1 | Low | 46 Ų | 46 | 121.4 Ų | 121.4 | 47% | 0.474 | 65% | 0.645 | S | S | . | * | | | trans | 72.1 | 15.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | D590 T595 | D590-G593 PolarHBondContact O-N 3.18Å; D590-G593 PolarHBondContact OD1-N 3.12Å; G593-T595 PolarHBondContact O-N 3.22Å |
| 594 | M | 47.2 | Very low | 55.6 | Low | 141 Ų | 141 | 121.4 Ų | 121.4 | 70% | 0.695 | 64% | 0.635 | S | S | * | * | | | trans | -96.6 | 82.1 | -179 | -70 | -166.3 | -61.8 | 0 | 0 | 111.6 | D590 K592 | D590-M594 PolarHBondContact OD1-N 3.3Å; K592-M594 VanDerWaalsContact C-N 3.29Å; K592-M594 HydrophobicContact CB-CE 4.44Å; K592-M594 HydrophobicContact CD-CE 4.49Å; K592-M594 PolarHBondContact O-N 3Å |
| 595 | T | 53.1 | Low | 57 | Low | 37 Ų | 37 | 122.4 Ų | 122.4 | 23% | 0.227 | 64% | 0.641 | C | S | . | * | | | trans | -79 | 150.3 | 164.5 | 49.7 | 0 | 0 | 0 | 0 | 112.4 | V587 W589 G593 | V587-T595 HydrophobicContact CG1-CG2 3.76Å; W589-T595 HydrophobicContact CB-CG2 4.19Å; W589-T595 HydrophobicContact CD2-CG2 3.26Å; W589-T595 HydrophobicContact CE3-CG2 3.36Å; W589-T595 HydrophobicContact CG-CG2 3.67Å; W589-T595 HydrophobicContact CH2-CG2 4.03Å; W589-T595 WeakPolarHBondContact CH2-OG1 3.48Å; W589-T595 HydrophobicContact CZ2-CG2 3.97Å; W589-T595 HydrophobicContact CZ3-CG2 3.75Å; W589-T595 WeakPolarHBondContact CZ3-OG1 3.31Å; G593-T595 PolarHBondContact O-N 3.22Å |
| 596 | W | 52.6 | Low | 58.2 | Low | 160 Ų | 160 | 117.9 Ų | 117.9 | 61% | 0.606 | 63% | 0.631 | S | S | * | * | | | trans | 83 | 81.9 | 157.5 | -61.3 | 127.1 | 0 | 0 | 0 | 119.1 | V587 V598 | V587-W596 HydrophobicContact CB-CZ2 4.1Å; V587-W596 HydrophobicContact CG1-CH2 4.3Å; V587-W596 HydrophobicContact CG1-CZ2 3.62Å; V587-W596 HydrophobicContact CG2-CH2 3.88Å; V587-W596 HydrophobicContact CG2-CZ2 3.4Å; V587-W596 VanDerWaalsContact CG2-CZ2 3.4Å; W596-V598 HydrophobicContact CB-CG2 3.85Å; W596-V598 HydrophobicContact CD2-CG2 3.45Å; W596-V598 VanDerWaalsContact CD2-CG2 3.45Å; W596-V598 HydrophobicContact CE3-CG2 3.17Å; W596-V598 HydrophobicContact CG-CG2 3.79Å; W596-V598 HydrophobicContact CZ3-CG2 3.79Å; W596-V598 PolarHBondContact O-N 3.04Å |
| 597 | E | 46.5 | Very low | 60 | Low | 169 Ų | 169 | 113.2 Ų | 113.2 | 79% | 0.79 | 62% | 0.615 | S | S | * | * | | | | -72.1 | 78.9 | 129.3 | -72.6 | -166.9 | 161.1 | 0 | 0 | 110.1 | Y599 | E597-Y599 HydrophobicContact CB-CD2 4Å; E597-Y599 HydrophobicContact CG-CD2 4.13Å; E597-Y599 HydrophobicContact CG-CE2 4.31Å; E597-Y599 PolarHBondContact O-N 3.44Å |
| 598 | V | 49.8 | Very low | 61.3 | Low | 74 Ų | 74 | 114.4 Ų | 114.4 | 45% | 0.448 | 62% | 0.619 | S | S | . | * | | | trans | -79.9 | 62.5 | 161.8 | -179.1 | 0 | 0 | 0 | 0 | 109 | W596 G600 A601 | W596-V598 HydrophobicContact CB-CG2 3.85Å; W596-V598 HydrophobicContact CD2-CG2 3.45Å; W596-V598 VanDerWaalsContact CD2-CG2 3.45Å; W596-V598 HydrophobicContact CE3-CG2 3.17Å; W596-V598 HydrophobicContact CG-CG2 3.79Å; W596-V598 HydrophobicContact CZ3-CG2 3.79Å; W596-V598 PolarHBondContact O-N 3.04Å; V598-G600 VanDerWaalsContact C-N 3.27Å; V598-G600 PolarHBondContact O-N 2.96Å; V598-A601 HydrophobicContact CG1-CB 3.83Å |
| 599 | Y | 48.6 | Very low | 63.2 | Low | 212 Ų | 212 | 111 Ų | 111 | 83% | 0.831 | 60% | 0.601 | S | S | * | * | | | trans | -89.1 | 68.4 | 163.2 | -72.2 | -66 | 0 | 0 | 0 | 109 | E597 | E597-Y599 HydrophobicContact CB-CD2 4Å; E597-Y599 HydrophobicContact CG-CD2 4.13Å; E597-Y599 HydrophobicContact CG-CE2 4.31Å; E597-Y599 PolarHBondContact O-N 3.44Å |
| 600 | G | 49.7 | Very low | 64.9 | Low | 69 Ų | 69 | 105.7 Ų | 105.7 | 71% | 0.711 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -165.2 | -47.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | V598 V602 | V598-G600 VanDerWaalsContact C-N 3.27Å; V598-G600 PolarHBondContact O-N 2.96Å; G600-V602 PolarHBondContact O-N 3.43Å; G600-V602 VanDerWaalsContact O-N 3.11Å |
| 601 | A | 49.1 | Very low | 66.2 | Low | 67 Ų | 67 | 105.4 Ų | 105.4 | 55% | 0.554 | 60% | 0.597 | S | S | * | * | | | trans | -85 | 80 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V598 V603 | V598-A601 HydrophobicContact CG1-CB 3.83Å; A601-V603 PolarHBondContact O-N 2.97Å |
| 602 | V | 49.8 | Very low | 67.4 | Low | 127 Ų | 127 | 99.8 Ų | 99.8 | 77% | 0.77 | 57% | 0.573 | S | S | * | * | | | trans | -67.9 | 89.8 | 160.7 | -179.8 | 0 | 0 | 0 | 0 | 107.3 | G600 E604 | G600-V602 PolarHBondContact O-N 3.43Å; G600-V602 VanDerWaalsContact O-N 3.11Å; V602-E604 VanDerWaalsContact C-N 3.3Å; V602-E604 PolarHBondContact O-N 2.85Å |
| 603 | V | 65.8 | Low | 68.9 | Low | 96 Ų | 96 | 97 Ų | 97 | 58% | 0.582 | 56% | 0.562 | S | S | * | * | | | trans | -66.5 | 95.9 | 168.7 | 178.4 | 0 | 0 | 0 | 0 | 106.7 | A601 V605 L608 | A601-V603 PolarHBondContact O-N 2.97Å; V603-V605 PolarHBondContact O-N 3.47Å; V603-V605 VanDerWaalsContact O-N 3.15Å; V603-L608 HydrophobicContact CG1-CB 4.11Å; V603-L608 HydrophobicContact CG1-CD2 4.46Å |
| 604 | E | 76.1 | Confident | 70.4 | Confident | 120 Ų | 120 | 101.7 Ų | 101.7 | 56% | 0.561 | 57% | 0.57 | S | S | * | * | | | trans | -53.7 | 122.9 | -177.5 | -68.8 | -172.7 | 171.4 | 0 | 0 | 110.2 | V602 A606 V607 L608 | V602-E604 VanDerWaalsContact C-N 3.3Å; V602-E604 PolarHBondContact O-N 2.85Å; E604-A606 PolarHBondContact O-N 3.22Å; E604-A606 VanDerWaalsContact O-N 3.11Å; E604-V607 HydrophobicContact CB-CB 4.09Å; E604-V607 HydrophobicContact CB-CG2 3.85Å; E604-V607 WeakPolarHBondContact O-CA 3.42Å; E604-V607 PolarHBondContact O-N 2.87Å; E604-V607 WeakPolarHBondContact OE2-CG2 3.42Å; E604-L608 PolarHBondContact O-N 3.16Å |
| 605 | V | 77.3 | Confident | 72.7 | Confident | 125 Ų | 125 | 100.1 Ų | 100.1 | 76% | 0.758 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -59.4 | -29.8 | -176 | -175.9 | 0 | 0 | 0 | 0 | 111.2 | V603 G609 | V603-V605 PolarHBondContact O-N 3.47Å; V603-V605 VanDerWaalsContact O-N 3.15Å; V605-G609 PolarHBondContact O-N 3.43Å |
| 606 | A | 80.8 | Confident | 74.8 | Confident | 70 Ų | 70 | 102.9 Ų | 102.9 | 58% | 0.579 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.6 | -40.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E604 S610 | E604-A606 PolarHBondContact O-N 3.22Å; E604-A606 VanDerWaalsContact O-N 3.11Å; A606-S610 VanDerWaalsContact O-CB 3.27Å; A606-S610 WeakPolarHBondContact O-CB 3.34Å; A606-S610 PolarHBondContact O-N 3.43Å; A606-S610 PolarHBondContact O-OG 3.36Å |
| 607 | V | 86 | Confident | 76.8 | Confident | 85 Ų | 85 | 100.1 Ų | 100.1 | 52% | 0.515 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -70.1 | -43.2 | 176.3 | 175.7 | 0 | 0 | 0 | 0 | 110.5 | E604 S610 A611 | E604-V607 HydrophobicContact CB-CB 4.09Å; E604-V607 HydrophobicContact CB-CG2 3.85Å; E604-V607 WeakPolarHBondContact O-CA 3.42Å; E604-V607 PolarHBondContact O-N 2.87Å; E604-V607 WeakPolarHBondContact OE2-CG2 3.42Å; V607-S610 PolarHBondContact O-N 3.35Å; V607-A611 WeakPolarHBondContact O-CB 3.41Å; V607-A611 PolarHBondContact O-N 3.35Å |
| 608 | L | 89.4 | Confident | 79 | Confident | 86 Ų | 86 | 98.9 Ų | 98.9 | 45% | 0.45 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.7 | -47.2 | 174.5 | 179.3 | 58.5 | 0 | 0 | 0 | 111.5 | V603 E604 S610 A611 I612 | V603-L608 HydrophobicContact CG1-CB 4.11Å; V603-L608 HydrophobicContact CG1-CD2 4.46Å; E604-L608 PolarHBondContact O-N 3.16Å; L608-S610 VanDerWaalsContact C-N 3.34Å; L608-S610 PolarHBondContact O-N 2.84Å; L608-A611 PolarHBondContact O-N 3.19Å; L608-I612 HydrophobicContact CD1-CD1 3.96Å; L608-I612 HydrophobicContact CD1-CG1 4.31Å; L608-I612 HydrophobicContact CG-CD1 3.94Å; L608-I612 VanDerWaalsContact O-CG1 3.31Å; L608-I612 WeakPolarHBondContact O-CG1 3.26Å; L608-I612 PolarHBondContact O-N 3.43Å |
| 609 | G | 91.9 | Very high | 81.1 | Confident | 38 Ų | 38 | 99.4 Ų | 99.4 | 39% | 0.392 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -57.8 | -45 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V605 A611 I612 Q613 | V605-G609 PolarHBondContact O-N 3.43Å; G609-A611 VanDerWaalsContact C-N 3.34Å; G609-A611 PolarHBondContact O-N 3.06Å; G609-I612 PolarHBondContact O-N 3.46Å; G609-Q613 VanDerWaalsContact O-CB 3.26Å; G609-Q613 WeakPolarHBondContact O-CB 3.38Å; G609-Q613 PolarHBondContact O-N 3.42Å |
| 610 | S | 90.8 | Very high | 83.2 | Confident | 62 Ų | 62 | 92.4 Ų | 92.4 | 43% | 0.434 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.6 | -35.9 | 176.5 | -62.4 | 0 | 0 | 0 | 0 | 113.3 | A606 V607 L608 K614 | A606-S610 VanDerWaalsContact O-CB 3.27Å; A606-S610 WeakPolarHBondContact O-CB 3.34Å; A606-S610 PolarHBondContact O-N 3.43Å; A606-S610 PolarHBondContact O-OG 3.36Å; V607-S610 PolarHBondContact O-N 3.35Å; L608-S610 VanDerWaalsContact C-N 3.34Å; L608-S610 PolarHBondContact O-N 2.84Å; S610-K614 WeakPolarHBondContact O-CB 3.3Å; S610-K614 VanDerWaalsContact O-CG 3.3Å; S610-K614 WeakPolarHBondContact O-CG 3.43Å; S610-K614 PolarHBondContact O-N 3.29Å |
| 611 | A | 93.2 | Very high | 85.1 | Confident | 58 Ų | 58 | 94 Ų | 94 | 48% | 0.479 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.5 | -42.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V607 L608 G609 H615 | V607-A611 WeakPolarHBondContact O-CB 3.41Å; V607-A611 PolarHBondContact O-N 3.35Å; L608-A611 PolarHBondContact O-N 3.19Å; G609-A611 VanDerWaalsContact C-N 3.34Å; G609-A611 PolarHBondContact O-N 3.06Å; A611-H615 WeakPolarHBondContact O-CB 3.48Å; A611-H615 PolarHBondContact O-N 2.95Å |
| 612 | I | 93.7 | Very high | 86.9 | Confident | 89 Ų | 89 | 96.2 Ų | 96.2 | 46% | 0.456 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.4 | -47.8 | 174.8 | -67.7 | 165.6 | 0 | 0 | 0 | 110.3 | L608 G609 K614 H615 L616 | L608-I612 HydrophobicContact CD1-CD1 3.96Å; L608-I612 HydrophobicContact CD1-CG1 4.31Å; L608-I612 HydrophobicContact CG-CD1 3.94Å; L608-I612 VanDerWaalsContact O-CG1 3.31Å; L608-I612 WeakPolarHBondContact O-CG1 3.26Å; L608-I612 PolarHBondContact O-N 3.43Å; G609-I612 PolarHBondContact O-N 3.46Å; I612-K614 PolarHBondContact O-N 2.68Å; I612-H615 WeakPolarHBondContact O-CB 3.42Å; I612-H615 PolarHBondContact O-N 3.28Å; I612-H615 VanDerWaalsContact O-N 3.16Å; I612-L616 HydrophobicContact CG2-CD1 3.94Å; I612-L616 HydrophobicContact CG2-CG 4.44Å; I612-L616 WeakPolarHBondContact O-CG 3.26Å; I612-L616 PolarHBondContact O-N 3.22Å |
| 613 | Q | 94.5 | Very high | 88.6 | Confident | 107 Ų | 107 | 96.3 Ų | 96.3 | 50% | 0.5 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -53.5 | -55.2 | 176.2 | -178.7 | 67.4 | 20 | 0 | 0 | 111.2 | G609 H615 L616 E617 | G609-Q613 VanDerWaalsContact O-CB 3.26Å; G609-Q613 WeakPolarHBondContact O-CB 3.38Å; G609-Q613 PolarHBondContact O-N 3.42Å; Q613-H615 VanDerWaalsContact C-N 3.28Å; Q613-H615 PolarHBondContact O-N 3.46Å; Q613-L616 PolarHBondContact O-N 2.96Å; Q613-L616 VanDerWaalsContact O-N 3.13Å; Q613-E617 WeakPolarHBondContact CG-OE1 3.42Å; Q613-E617 PolarHBondContact NE2-OE1 3.43Å; Q613-E617 WeakPolarHBondContact O-CG 3.39Å; Q613-E617 PolarHBondContact O-N 2.99Å |
| 614 | K | 93.1 | Very high | 89.3 | Confident | 144 Ų | 144 | 97.3 Ų | 97.3 | 63% | 0.626 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.4 | -30.2 | 178.7 | -72.4 | 173.8 | -179.9 | 176.7 | 0 | 113.1 | S610 I612 K618 | S610-K614 WeakPolarHBondContact O-CB 3.3Å; S610-K614 VanDerWaalsContact O-CG 3.3Å; S610-K614 WeakPolarHBondContact O-CG 3.43Å; S610-K614 PolarHBondContact O-N 3.29Å; I612-K614 PolarHBondContact O-N 2.68Å; K614-K618 VanDerWaalsContact O-CB 3.26Å; K614-K618 WeakPolarHBondContact O-CB 3.34Å; K614-K618 PolarHBondContact O-N 2.77Å |
| 615 | H | 95.4 | Very high | 89.3 | Confident | 108 Ų | 108 | 97.4 Ų | 97.4 | 50% | 0.5 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.4 | -48.8 | 171.9 | -178.8 | 100.7 | 0 | 0 | 0 | 111.2 | A611 I612 Q613 K618 Q619 | A611-H615 WeakPolarHBondContact O-CB 3.48Å; A611-H615 PolarHBondContact O-N 2.95Å; I612-H615 WeakPolarHBondContact O-CB 3.42Å; I612-H615 PolarHBondContact O-N 3.28Å; I612-H615 VanDerWaalsContact O-N 3.16Å; Q613-H615 VanDerWaalsContact C-N 3.28Å; Q613-H615 PolarHBondContact O-N 3.46Å; H615-K618 WeakPolarHBondContact O-CB 3.46Å; H615-K618 PolarHBondContact O-N 2.9Å; H615-Q619 PolarHBondContact NE2-NE2 3.08Å; H615-Q619 WeakPolarHBondContact O-CG 3.35Å; H615-Q619 PolarHBondContact O-N 3.33Å |
| 616 | L | 96.8 | Very high | 88.8 | Confident | 95 Ų | 95 | 97.9 Ų | 97.9 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.1 | -42.8 | -178.8 | -67.5 | 172.3 | 0 | 0 | 0 | 111.9 | I612 Q613 K618 Q619 V620 | I612-L616 HydrophobicContact CG2-CD1 3.94Å; I612-L616 HydrophobicContact CG2-CG 4.44Å; I612-L616 WeakPolarHBondContact O-CG 3.26Å; I612-L616 PolarHBondContact O-N 3.22Å; Q613-L616 PolarHBondContact O-N 2.96Å; Q613-L616 VanDerWaalsContact O-N 3.13Å; L616-K618 VanDerWaalsContact C-N 3.28Å; L616-K618 PolarHBondContact O-N 3.2Å; L616-Q619 WeakPolarHBondContact O-CB 3.41Å; L616-Q619 PolarHBondContact O-N 3.15Å; L616-Q619 VanDerWaalsContact O-N 3.11Å; L616-V620 WeakPolarHBondContact O-CG2 3.47Å; L616-V620 PolarHBondContact O-N 3.23Å |
| 617 | E | 94.3 | Very high | 88 | Confident | 101 Ų | 101 | 99.1 Ų | 99.1 | 47% | 0.472 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -56.6 | -42.4 | 172.4 | -71.7 | 167.4 | 177.7 | 0 | 0 | 111.7 | Q613 V620 Q621 | Q613-E617 WeakPolarHBondContact CG-OE1 3.42Å; Q613-E617 PolarHBondContact NE2-OE1 3.43Å; Q613-E617 WeakPolarHBondContact O-CG 3.39Å; Q613-E617 PolarHBondContact O-N 2.99Å; E617-V620 PolarHBondContact O-N 2.88Å; E617-Q621 WeakPolarHBondContact O-CB 3.31Å; E617-Q621 PolarHBondContact O-N 3.49Å |
| 618 | K | 94.1 | Very high | 86.4 | Confident | 144 Ų | 144 | 100.1 Ų | 100.1 | 63% | 0.626 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69.6 | -30 | 176.9 | -169.1 | 172.6 | -174 | 172.9 | 0 | 113.1 | K614 H615 L616 K622 | K614-K618 VanDerWaalsContact O-CB 3.26Å; K614-K618 WeakPolarHBondContact O-CB 3.34Å; K614-K618 PolarHBondContact O-N 2.77Å; H615-K618 WeakPolarHBondContact O-CB 3.46Å; H615-K618 PolarHBondContact O-N 2.9Å; L616-K618 VanDerWaalsContact C-N 3.28Å; L616-K618 PolarHBondContact O-N 3.2Å; K618-K622 VanDerWaalsContact O-CG 3.3Å; K618-K622 WeakPolarHBondContact O-CG 3.5Å; K618-K622 PolarHBondContact O-N 3.2Å |
| 619 | Q | 92.2 | Very high | 84.8 | Confident | 84 Ų | 84 | 102.7 Ų | 102.7 | 39% | 0.393 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.3 | -50.3 | 171 | -67.1 | -80.5 | 27.5 | 0 | 0 | 110.7 | H615 L616 Q621 K622 Q623 | H615-Q619 PolarHBondContact NE2-NE2 3.08Å; H615-Q619 WeakPolarHBondContact O-CG 3.35Å; H615-Q619 PolarHBondContact O-N 3.33Å; L616-Q619 WeakPolarHBondContact O-CB 3.41Å; L616-Q619 PolarHBondContact O-N 3.15Å; L616-Q619 VanDerWaalsContact O-N 3.11Å; Q619-Q621 VanDerWaalsContact C-N 3.34Å; Q619-Q621 PolarHBondContact O-N 2.9Å; Q619-K622 WeakPolarHBondContact O-CB 3.45Å; Q619-K622 PolarHBondContact O-N 2.92Å; Q619-Q623 PolarHBondContact O-N 2.91Å |
| 620 | V | 93.1 | Very high | 83.5 | Confident | 65 Ų | 65 | 105.8 Ų | 105.8 | 39% | 0.394 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 178.9 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | L616 E617 K622 Q623 K624 | L616-V620 WeakPolarHBondContact O-CG2 3.47Å; L616-V620 PolarHBondContact O-N 3.23Å; E617-V620 PolarHBondContact O-N 2.88Å; V620-K622 VanDerWaalsContact C-N 3.35Å; V620-K622 PolarHBondContact O-N 2.95Å; V620-Q623 PolarHBondContact O-N 3.12Å; V620-K624 HydrophobicContact CG1-CD 4.11Å; V620-K624 HydrophobicContact CG1-CG 4.43Å; V620-K624 WeakPolarHBondContact O-CG 3.41Å; V620-K624 PolarHBondContact O-N 3.16Å |
| 621 | Q | 90.1 | Very high | 82.1 | Confident | 102 Ų | 102 | 108.2 Ų | 108.2 | 48% | 0.477 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.8 | -33.5 | 179.1 | -170.6 | 64.1 | -4.4 | 0 | 0 | 112.7 | E617 Q619 Q625 | E617-Q621 WeakPolarHBondContact O-CB 3.31Å; E617-Q621 PolarHBondContact O-N 3.49Å; Q619-Q621 VanDerWaalsContact C-N 3.34Å; Q619-Q621 PolarHBondContact O-N 2.9Å; Q621-Q625 WeakPolarHBondContact O-CB 3.31Å; Q621-Q625 WeakPolarHBondContact O-CG 3.29Å; Q621-Q625 PolarHBondContact O-N 3.07Å |
| 622 | K | 86.5 | Confident | 80.5 | Confident | 115 Ų | 115 | 110.9 Ų | 110.9 | 50% | 0.5 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.5 | -44.6 | 169.8 | -76.2 | 172.5 | 176 | -175.6 | 0 | 111.7 | K618 Q619 V620 K624 Q625 L626 | K618-K622 VanDerWaalsContact O-CG 3.3Å; K618-K622 WeakPolarHBondContact O-CG 3.5Å; K618-K622 PolarHBondContact O-N 3.2Å; Q619-K622 WeakPolarHBondContact O-CB 3.45Å; Q619-K622 PolarHBondContact O-N 2.92Å; V620-K622 VanDerWaalsContact C-N 3.35Å; V620-K622 PolarHBondContact O-N 2.95Å; K622-K624 PolarHBondContact O-N 3.22Å; K622-Q625 PolarHBondContact O-N 3.2Å; K622-L626 WeakPolarHBondContact O-CG 3.38Å; K622-L626 PolarHBondContact O-N 3.31Å |
| 623 | Q | 85.3 | Confident | 79.2 | Confident | 128 Ų | 128 | 111.9 Ų | 111.9 | 60% | 0.598 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60.6 | -45 | 176.5 | -71.6 | 178 | -12.7 | 0 | 0 | 111.2 | Q619 V620 Q625 L626 S627 | Q619-Q623 PolarHBondContact O-N 2.91Å; V620-Q623 PolarHBondContact O-N 3.12Å; Q623-Q625 PolarHBondContact O-N 3.34Å; Q623-L626 PolarHBondContact O-N 3.28Å; Q623-S627 PolarHBondContact O-N 3.45Å; Q623-S627 PolarHBondContact O-OG 3.37Å |
| 624 | K | 80.7 | Confident | 77.3 | Confident | 118 Ų | 118 | 112.3 Ų | 112.3 | 51% | 0.513 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -60.2 | -40.7 | 174.3 | -72.8 | 177.9 | 177.8 | -179.5 | 0 | 112.8 | V620 K622 S627 T628 | V620-K624 HydrophobicContact CG1-CD 4.11Å; V620-K624 HydrophobicContact CG1-CG 4.43Å; V620-K624 WeakPolarHBondContact O-CG 3.41Å; V620-K624 PolarHBondContact O-N 3.16Å; K622-K624 PolarHBondContact O-N 3.22Å; K624-S627 WeakPolarHBondContact CA-OG 3.43Å; K624-S627 PolarHBondContact O-N 3.29Å; K624-S627 PolarHBondContact O-OG 3.03Å; K624-S627 VanDerWaalsContact O-OG 3.11Å; K624-T628 WeakPolarHBondContact O-CB 3.45Å; K624-T628 PolarHBondContact O-N 2.96Å; K624-T628 PolarHBondContact O-OG1 3Å |
| 625 | Q | 77 | Confident | 75.1 | Confident | 121 Ų | 121 | 113.4 Ų | 113.4 | 57% | 0.565 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.6 | -40.7 | 174.8 | -76.9 | 177.2 | -6.2 | 0 | 0 | 112.3 | Q621 K622 Q623 T628 | Q621-Q625 WeakPolarHBondContact O-CB 3.31Å; Q621-Q625 WeakPolarHBondContact O-CG 3.29Å; Q621-Q625 PolarHBondContact O-N 3.07Å; K622-Q625 PolarHBondContact O-N 3.2Å; Q623-Q625 PolarHBondContact O-N 3.34Å; Q625-T628 PolarHBondContact O-N 2.64Å |
| 626 | L | 67.1 | Low | 72.9 | Confident | 136 Ų | 136 | 114.8 Ų | 114.8 | 71% | 0.712 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -68.1 | -36.4 | 176.1 | -68.1 | 169.8 | 0 | 0 | 0 | 112.3 | K622 Q623 T628 | K622-L626 WeakPolarHBondContact O-CG 3.38Å; K622-L626 PolarHBondContact O-N 3.31Å; Q623-L626 PolarHBondContact O-N 3.28Å; L626-T628 VanDerWaalsContact C-N 3.27Å; L626-T628 PolarHBondContact O-N 3.11Å |
| 627 | S | 62.3 | Low | 70.6 | Confident | 95 Ų | 95 | 116.8 Ų | 116.8 | 66% | 0.664 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -78.2 | -6.1 | 174.8 | 72.9 | 0 | 0 | 0 | 0 | 114.3 | Q623 K624 | Q623-S627 PolarHBondContact O-N 3.45Å; Q623-S627 PolarHBondContact O-OG 3.37Å; K624-S627 WeakPolarHBondContact CA-OG 3.43Å; K624-S627 PolarHBondContact O-N 3.29Å; K624-S627 PolarHBondContact O-OG 3.03Å; K624-S627 VanDerWaalsContact O-OG 3.11Å |
| 628 | T | 52.4 | Low | 68.1 | Low | 107 Ų | 107 | 116.5 Ų | 116.5 | 66% | 0.656 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -2.5 | 175.6 | -57.4 | 0 | 0 | 0 | 0 | 112 | K624 Q625 L626 | K624-T628 WeakPolarHBondContact O-CB 3.45Å; K624-T628 PolarHBondContact O-N 2.96Å; K624-T628 PolarHBondContact O-OG1 3Å; Q625-T628 PolarHBondContact O-N 2.64Å; L626-T628 VanDerWaalsContact C-N 3.27Å; L626-T628 PolarHBondContact O-N 3.11Å |
| 629 | M | 57 | Low | 65.7 | Low | 139 Ų | 139 | 114.1 Ų | 114.1 | 69% | 0.685 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -71.6 | 123.9 | 167.9 | -69.5 | -85.3 | 81.9 | 0 | 0 | 109.9 | | |
| 630 | P | 63.9 | Low | 63.3 | Low | 104 Ų | 104 | 115 Ų | 115 | 68% | 0.675 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 145.3 | 175.6 | 28.2 | -34.2 | 0 | 0 | 0 | 110.3 | | |
| 631 | P | 62.3 | Low | 60.7 | Low | 113 Ų | 113 | 117.4 Ų | 117.4 | 73% | 0.734 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 144.3 | 178.8 | 26.3 | -34.4 | 0 | 0 | 0 | 110.8 | | |
| 632 | P | 59.6 | Low | 58.1 | Low | 114 Ų | 114 | 120.4 Ų | 120.4 | 74% | 0.74 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 141.5 | 175 | 27.2 | -34.2 | 0 | 0 | 0 | 110.1 | | |
| 633 | P | 66.4 | Low | 55.8 | Low | 109 Ų | 109 | 120.8 Ų | 120.8 | 71% | 0.708 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 141.5 | -178.6 | 26.1 | -34.5 | 0 | 0 | 0 | 110.8 | L635 | P633-L635 PolarHBondContact O-N 3.01Š|
| 634 | P | 54.2 | Low | 53.2 | Low | 116 Ų | 116 | 120.2 Ų | 120.2 | 75% | 0.753 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 131 | -177.8 | 25 | -33.9 | 0 | 0 | 0 | 111 | N636 | P634-N636 PolarHBondContact O-N 3.31Š|
| 635 | L | 46.6 | Very low | 50.8 | Low | 168 Ų | 168 | 123.3 Ų | 123.3 | 88% | 0.88 | 75% | 0.75 | S | S | * | * | | | trans | -72.7 | 109.8 | 176.4 | -66.6 | 175.8 | 0 | 0 | 0 | 109.4 | P633 | P633-L635 PolarHBondContact O-N 3.01Š|
| 636 | N | 49.1 | Very low | 49 | Very low | 137 Ų | 137 | 122.3 Ų | 122.3 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | | | trans | -56.8 | 125 | 178.8 | -76.3 | -46.1 | 0 | 0 | 0 | 111.4 | P634 A638 | P634-N636 PolarHBondContact O-N 3.31Å; N636-A638 PolarHBondContact O-N 3.32Å |
| 637 | P | 47.5 | Very low | 47.1 | Very low | 136 Ų | 136 | 121.9 Ų | 121.9 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -76.4 | 23.5 | -176.8 | 32.6 | -37.3 | 0 | 0 | 0 | 114.1 | | |
| 638 | A | 42 | Very low | 45.8 | Very low | 96 Ų | 96 | 122.8 Ų | 122.8 | 79% | 0.793 | 77% | 0.767 | S | S | * | * | | | trans | -97.2 | 10.7 | -172 | 0 | 0 | 0 | 0 | 0 | 114.3 | N636 S640 | N636-A638 PolarHBondContact O-N 3.32Å; A638-S640 PolarHBondContact O-N 3.27Å |
| 639 | A | 44 | Very low | 44.7 | Very low | 93 Ų | 93 | 121.7 Ų | 121.7 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | | | trans | -91.2 | 89.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 640 | S | 42.4 | Very low | 43.4 | Very low | 104 Ų | 104 | 118.9 Ų | 118.9 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 133.7 | 176.3 | -176.9 | 0 | 0 | 0 | 0 | 112.1 | A638 | A638-S640 PolarHBondContact O-N 3.27Š|
| 641 | P | 39.3 | Very low | 42 | Very low | 114 Ų | 114 | 120 Ų | 120 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 132 | 171.5 | 30.3 | -33.2 | 0 | 0 | 0 | 110.8 | | |
| 642 | L | 34.9 | Very low | 40.5 | Very low | 166 Ų | 166 | 117.7 Ų | 117.7 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 143.2 | 175.4 | -66.5 | 173.2 | 0 | 0 | 0 | 110.9 | | |
| 643 | P | 37.4 | Very low | 39.6 | Very low | 122 Ų | 122 | 121.6 Ų | 121.6 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 150.3 | -175.9 | 28.9 | -35.7 | 0 | 0 | 0 | 113 | | |
| 644 | S | 32 | Very low | 37.9 | Very low | 117 Ų | 117 | 125.7 Ų | 125.7 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -84.4 | 112.5 | 178 | 53.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 645 | E | 29.7 | Very low | 37.1 | Very low | 182 Ų | 182 | 130.4 Ų | 130.4 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | | | trans | -75.2 | 140.5 | 168.6 | -82.4 | -82.4 | 118.5 | 0 | 0 | 111.7 | | |
| 646 | P | 38.9 | Very low | 36.4 | Very low | 101 Ų | 101 | 126.1 Ų | 126.1 | 66% | 0.656 | 80% | 0.796 | S | S | * | * | | | trans | -85 | 127 | -175.3 | 32.5 | -34 | 0 | 0 | 0 | 113.2 | C648 | P646-C648 PolarHBondContact O-N 3.3Š|
| 647 | S | 28.1 | Very low | 36 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | | | trans | -86 | 93.3 | 170.6 | -165 | 0 | 0 | 0 | 0 | 111.3 | | |
| 648 | C | 33.2 | Very low | 35.6 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | | | trans | -64.2 | 133.8 | 169.2 | -66 | 0 | 0 | 0 | 0 | 111 | P646 | P646-C648 PolarHBondContact O-N 3.3Š|
| 649 | G | 29.4 | Very low | 35.5 | Very low | 85 Ų | 85 | 138.5 Ų | 138.5 | 88% | 0.876 | 81% | 0.806 | S | S | * | * | | | trans | -70.1 | 142.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 650 | G | 30.6 | Very low | 35.1 | Very low | 79 Ų | 79 | 137.5 Ų | 137.5 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | | | trans | -168.5 | 108.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 651 | S | 34.5 | Very low | 34.7 | Very low | 129 Ų | 129 | 142 Ų | 142 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | | | trans | -55.4 | 124 | 178.9 | -178.7 | 0 | 0 | 0 | 0 | 116.5 | | |
| 652 | G | 31.4 | Very low | 35 | Very low | 63 Ų | 63 | 145.4 Ų | 145.4 | 65% | 0.649 | 82% | 0.819 | S | S | * | * | | | | 98.3 | 148 | 116.1 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 653 | K | 39.1 | Very low | 35 | Very low | 197 Ų | 197 | 143 Ų | 143 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | | | trans | 81.8 | 110.1 | 155.2 | -63.3 | 173.5 | -178.2 | 165.7 | 0 | 121 | | |
| 654 | R | 32.7 | Very low | 35.1 | Very low | 194 Ų | 194 | 140.2 Ų | 140.2 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | | | | 89.9 | 124.8 | 124.3 | -77.9 | -177.3 | 167.3 | -169.3 | -0.9 | 122 | | |
| 655 | R | 36.3 | Very low | 35.4 | Very low | 216 Ų | 216 | 142.5 Ų | 142.5 | 82% | 0.815 | 80% | 0.796 | S | S | * | * | | | trans | 63.9 | 108.9 | 138.9 | -60.3 | 170.8 | 178.9 | -145.9 | -3.1 | 117 | | |
| 656 | G | 32 | Very low | 36 | Very low | 77 Ų | 77 | 138.1 Ų | 138.1 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | | | cis | 120.6 | 176.9 | 34 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 657 | R | 41 | Very low | 36.1 | Very low | 234 Ų | 234 | 137.9 Ų | 137.9 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | | | trans | 97.9 | 123 | 166.8 | -152.3 | -177.4 | -161.5 | -146.2 | 7.4 | 118.9 | | |
| 658 | K | 37.9 | Very low | 37.4 | Very low | 182 Ų | 182 | 143.2 Ų | 143.2 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | trans | 63.5 | 100.2 | 155.3 | -87.4 | -168.1 | 169 | -167.4 | 0 | 122 | | |
| 659 | K | 41.1 | Very low | 38.5 | Very low | 214 Ų | 214 | 148 Ų | 148 | 93% | 0.93 | 79% | 0.794 | S | S | * | * | | | | 27.9 | 118.2 | 113 | -174.5 | 178.5 | 179.6 | 177.3 | 0 | 118.9 | | |
| 660 | G | 35.7 | Very low | 39.8 | Very low | 71 Ų | 71 | 155.6 Ų | 155.6 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | | | trans | 153.9 | 138.8 | 161 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 661 | E | 33.2 | Very low | 41.2 | Very low | 198 Ų | 198 | 163 Ų | 163 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | | | cis | -149.9 | 167.7 | -15.5 | -168.2 | 161.6 | 128.5 | 0 | 0 | 108.6 | D663 | E661-D663 PolarHBondContact O-N 3.46Š|
| 662 | H | 45.1 | Very low | 42.6 | Very low | 187 Ų | 187 | 161.2 Ų | 161.2 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | | | trans | -91.7 | 94.9 | -172.6 | -148.7 | -87.2 | 0 | 0 | 0 | 111.5 | | |
| 663 | D | 36.3 | Very low | 44.3 | Very low | 114 Ų | 114 | 162.5 Ų | 162.5 | 61% | 0.61 | 78% | 0.777 | S | S | * | * | | | trans | -120 | 90.5 | 167.2 | -174.5 | 11.7 | 0 | 0 | 0 | 111 | E661 K665 | E661-D663 PolarHBondContact O-N 3.46Å; D663-K665 PolarHBondContact O-N 3.35Å; D663-K665 IonicContact OD1-NZ 3.71Å; D663-K665 IonicContact OD2-NZ 3.62Å; D663-K665 PolarHBondContact OD2-NZ 3.06Å |
| 664 | G | 39.3 | Very low | 45.5 | Very low | 65 Ų | 65 | 160 Ų | 160 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | | | trans | -76.1 | 63.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A666 | G664-A666 PolarHBondContact O-N 3.04Š|
| 665 | K | 39.1 | Very low | 47 | Very low | 165 Ų | 165 | 160.4 Ų | 160.4 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | | | trans | -65.5 | 85.9 | 168.9 | -76 | -171 | 172.1 | 72.4 | 0 | 110.2 | D663 S667 | D663-K665 PolarHBondContact O-N 3.35Å; D663-K665 IonicContact OD1-NZ 3.71Å; D663-K665 IonicContact OD2-NZ 3.62Å; D663-K665 PolarHBondContact OD2-NZ 3.06Å; K665-S667 PolarHBondContact O-N 3.12Å |
| 666 | A | 41.7 | Very low | 48.4 | Very low | 89 Ų | 89 | 155.5 Ų | 155.5 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | | | trans | -58 | 98.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | G664 R668 | G664-A666 PolarHBondContact O-N 3.04Å; A666-R668 PolarHBondContact O-N 3.12Å |
| 667 | S | 41 | Very low | 49.9 | Very low | 97 Ų | 97 | 158.5 Ų | 158.5 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | | | trans | -57.8 | 106.7 | 171.9 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | K665 R669 | K665-S667 PolarHBondContact O-N 3.12Å; S667-R669 PolarHBondContact O-N 3.09Å |
| 668 | R | 54.7 | Low | 51.1 | Low | 238 Ų | 238 | 152.7 Ų | 152.7 | 90% | 0.898 | 74% | 0.737 | S | S | * | * | | | trans | -70.4 | 66.2 | 171.1 | -66.8 | -174.4 | -177.5 | -179.5 | 1.4 | 109.1 | A666 R670 | A666-R668 PolarHBondContact O-N 3.12Å; R668-R670 PolarHBondContact O-N 3.24Å |
| 669 | R | 56.2 | Low | 52.2 | Low | 213 Ų | 213 | 149.2 Ų | 149.2 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | | | trans | -51.5 | 116.4 | 166.8 | -71.2 | -170.4 | 176 | -148 | 0.1 | 106.5 | S667 R671 | S667-R669 PolarHBondContact O-N 3.09Å; R669-R671 PolarHBondContact O-N 2.93Å |
| 670 | R | 56.5 | Low | 52.9 | Low | 245 Ų | 245 | 145.2 Ų | 145.2 | 93% | 0.925 | 71% | 0.712 | S | S | * | * | | | trans | -53.4 | 108.7 | 176.6 | -70.1 | 178.1 | 175.2 | -116.5 | 3.9 | 107.2 | R668 N672 | R668-R670 PolarHBondContact O-N 3.24Å; R670-N672 PolarHBondContact O-N 2.9Å |
| 671 | R | 61.1 | Low | 54.2 | Low | 234 Ų | 234 | 147.3 Ų | 147.3 | 88% | 0.883 | 71% | 0.711 | S | S | * | * | | | trans | -63.9 | 120.1 | 175.2 | -77.6 | -174.7 | 173.9 | 179.5 | -3.6 | 106.5 | R669 | R669-R671 PolarHBondContact O-N 2.93Š|
| 672 | N | 64.1 | Low | 55.4 | Low | 92 Ų | 92 | 145.4 Ų | 145.4 | 49% | 0.492 | 70% | 0.702 | S | S | . | * | | | trans | -60.8 | 121.1 | -178.7 | -175.5 | -0.5 | 0 | 0 | 0 | 108.5 | R670 F674 R675 | R670-N672 PolarHBondContact O-N 2.9Å; N672-F674 PolarHBondContact O-N 3.38Å; N672-F674 VanDerWaalsContact O-N 3.12Å; N672-F674 WeakPolarHBondContact OD1-CD2 3.3Å; N672-R675 WeakPolarHBondContact O-CB 3.3Å; N672-R675 PolarHBondContact O-N 3.05Å |
| 673 | P | 66.8 | Low | 55.8 | Low | 90 Ų | 90 | 142.3 Ų | 142.3 | 58% | 0.584 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -56 | -32.7 | -175.3 | 20.3 | -33.6 | 0 | 0 | 0 | 112.9 | R675 L676 M677 | P673-R675 PolarHBondContact O-N 3.04Å; P673-L676 PolarHBondContact O-N 2.88Å; P673-M677 PolarHBondContact O-N 2.87Å |
| 674 | F | 63 | Low | 56.5 | Low | 146 Ų | 146 | 141.8 Ų | 141.8 | 64% | 0.64 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -58.4 | -28.9 | 174.6 | -66.6 | -72.3 | 0 | 0 | 0 | 113.9 | N672 M678 | N672-F674 PolarHBondContact O-N 3.38Å; N672-F674 VanDerWaalsContact O-N 3.12Å; N672-F674 WeakPolarHBondContact OD1-CD2 3.3Å; F674-M678 VanDerWaalsContact O-CG 3.29Å; F674-M678 WeakPolarHBondContact O-CG 3.1Å; F674-M678 PolarHBondContact O-N 3.09Å |
| 675 | R | 65.6 | Low | 57 | Low | 201 Ų | 201 | 146 Ų | 146 | 76% | 0.758 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -67.4 | -39.8 | 173.2 | -89.3 | -165.9 | 172.9 | -140.5 | -1.4 | 112.2 | N672 P673 M677 M678 E679 | N672-R675 WeakPolarHBondContact O-CB 3.3Å; N672-R675 PolarHBondContact O-N 3.05Å; P673-R675 PolarHBondContact O-N 3.04Å; R675-M677 VanDerWaalsContact C-N 3.33Å; R675-M677 PolarHBondContact O-N 2.85Å; R675-M678 PolarHBondContact O-N 3.25Å; R675-E679 VanDerWaalsContact O-CB 3.29Å; R675-E679 WeakPolarHBondContact O-CB 3.41Å; R675-E679 PolarHBondContact O-N 3.01Å |
| 676 | L | 65 | Low | 57.5 | Low | 113 Ų | 113 | 143.2 Ų | 143.2 | 59% | 0.592 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -69.1 | -32.9 | -177.6 | -169.6 | 67.6 | 0 | 0 | 0 | 111.9 | P673 | P673-L676 PolarHBondContact O-N 2.88Å |
| 677 | M | 63.5 | Low | 57.6 | Low | 140 Ų | 140 | 144.4 Ų | 144.4 | 69% | 0.69 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -67 | -45.1 | 171.2 | -76.4 | 177.5 | 157.1 | 0 | 0 | 112 | P673 R675 E679 N680 V681 | P673-M677 PolarHBondContact O-N 2.87Å; R675-M677 VanDerWaalsContact C-N 3.33Å; R675-M677 PolarHBondContact O-N 2.85Å; M677-E679 PolarHBondContact O-N 3.07Å; M677-N680 PolarHBondContact O-N 2.98Å; M677-V681 PolarHBondContact O-N 2.85Å |
| 678 | M | 65.9 | Low | 57.8 | Low | 112 Ų | 112 | 145.2 Ų | 145.2 | 55% | 0.552 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -69 | -31.9 | 179 | -64.6 | -63.7 | -71.3 | 0 | 0 | 113 | F674 R675 N680 V681 Q682 | F674-M678 VanDerWaalsContact O-CG 3.29Å; F674-M678 WeakPolarHBondContact O-CG 3.1Å; F674-M678 PolarHBondContact O-N 3.09Å; R675-M678 PolarHBondContact O-N 3.25Å; M678-N680 PolarHBondContact O-N 2.89Å; M678-V681 PolarHBondContact O-N 3.04Å; M678-V681 VanDerWaalsContact O-N 3.1Å; M678-Q682 WeakPolarHBondContact O-CB 3.4Å; M678-Q682 PolarHBondContact O-N 2.92Å; M678-Q682 VanDerWaalsContact O-N 3.13Å |
| 679 | E | 62.1 | Low | 57.4 | Low | 110 Ų | 110 | 142.8 Ų | 142.8 | 51% | 0.514 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -61.2 | -31.7 | 177.3 | -167.5 | 161 | -153.2 | 0 | 0 | 112.1 | R675 M677 | R675-E679 VanDerWaalsContact O-CB 3.29Å; R675-E679 WeakPolarHBondContact O-CB 3.41Å; R675-E679 PolarHBondContact O-N 3.01Å; M677-E679 PolarHBondContact O-N 3.07Å |
| 680 | N | 55.2 | Low | 56.9 | Low | 130 Ų | 130 | 136.6 Ų | 136.6 | 70% | 0.695 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -81 | -23.1 | 174 | -70 | -8.4 | 0 | 0 | 0 | 114.1 | M677 M678 | M677-N680 PolarHBondContact O-N 2.98Å; M678-N680 PolarHBondContact O-N 2.89Å |
| 681 | V | 61.9 | Low | 56 | Low | 115 Ų | 115 | 132.5 Ų | 132.5 | 70% | 0.697 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -83.8 | -22.9 | 178.8 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | M677 M678 | M677-V681 PolarHBondContact O-N 2.85Å; M678-V681 PolarHBondContact O-N 3.04Å; M678-V681 VanDerWaalsContact O-N 3.1Å |
| 682 | Q | 58.9 | Low | 55.3 | Low | 157 Ų | 157 | 127.8 Ų | 127.8 | 73% | 0.734 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -98.9 | 14.2 | -169.5 | -158.8 | 145.4 | 75.4 | 0 | 0 | 114.3 | M678 | M678-Q682 WeakPolarHBondContact O-CB 3.4Å; M678-Q682 PolarHBondContact O-N 2.92Å; M678-Q682 VanDerWaalsContact O-N 3.13Å |
| 683 | Q | 54 | Low | 54.4 | Low | 123 Ų | 123 | 128.2 Ų | 128.2 | 58% | 0.575 | 69% | 0.685 | S | S | * | * | | | trans | -123.9 | 88.4 | 175 | -66.8 | -165.9 | 16.1 | 0 | 0 | 112.5 | H685 | Q683-H685 PolarHBondContact O-N 3.29Š|
| 684 | P | 51.8 | Low | 52.9 | Low | 103 Ų | 103 | 137.2 Ų | 137.2 | 67% | 0.669 | 72% | 0.719 | S | S | * | * | | | trans | -65.2 | 121.6 | 156.8 | 28.5 | -32.3 | 0 | 0 | 0 | 109 | C686 | P684-C686 VanDerWaalsContact C-N 3.27Å; P684-C686 PolarHBondContact O-N 3.26Å |
| 685 | H | 49.3 | Very low | 52.4 | Low | 153 Ų | 153 | 136.8 Ų | 136.8 | 71% | 0.708 | 72% | 0.723 | S | S | * | * | | | trans | -75.1 | 77.9 | 176.3 | -74.1 | -50.3 | 0 | 0 | 0 | 111.3 | Q683 C687 | Q683-H685 PolarHBondContact O-N 3.29Å; H685-C687 VanDerWaalsContact C-N 3.27Å; H685-C687 PolarHBondContact O-N 2.81Å; H685-C687 PolarHBondContact O-SG 3.29Å |
| 686 | C | 48.4 | Very low | 51.8 | Low | 106 Ų | 106 | 133.4 Ų | 133.4 | 72% | 0.716 | 72% | 0.721 | S | S | * | * | | | trans | -66.2 | 80.8 | 174.2 | -63.5 | 0 | 0 | 0 | 0 | 111.4 | P684 S688 | P684-C686 VanDerWaalsContact C-N 3.27Å; P684-C686 PolarHBondContact O-N 3.26Å; C686-S688 PolarHBondContact O-N 3.17Å |
| 687 | C | 44.3 | Very low | 51 | Low | 114 Ų | 114 | 134.5 Ų | 134.5 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | | | trans | -81.2 | 52.6 | -178.6 | -66.4 | 0 | 0 | 0 | 0 | 112.9 | H685 K689 | H685-C687 VanDerWaalsContact C-N 3.27Å; H685-C687 PolarHBondContact O-N 2.81Å; H685-C687 PolarHBondContact O-SG 3.29Å; C687-K689 PolarHBondContact O-N 3.26Å |
| 688 | S | 46.4 | Very low | 50.3 | Low | 114 Ų | 114 | 134.2 Ų | 134.2 | 80% | 0.797 | 73% | 0.73 | S | S | * | * | | | trans | -74.4 | 61.5 | 168.4 | 47.2 | 0 | 0 | 0 | 0 | 111.2 | C686 A690 | C686-S688 PolarHBondContact O-N 3.17Å; S688-A690 PolarHBondContact O-N 3.31Å |
| 689 | K | 45.4 | Very low | 49.3 | Very low | 188 Ų | 188 | 135.6 Ų | 135.6 | 82% | 0.817 | 74% | 0.741 | S | S | * | * | | | trans | -71.9 | 99 | 171.8 | -174.3 | 179.6 | -179.9 | -175.6 | 0 | 108.6 | C687 H691 | C687-K689 PolarHBondContact O-N 3.26Å; K689-H691 PolarHBondContact O-N 2.89Å |
| 690 | A | 45.6 | Very low | 48.4 | Very low | 83 Ų | 83 | 137.3 Ų | 137.3 | 69% | 0.686 | 76% | 0.757 | S | S | * | * | | | trans | -52.5 | 121.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | S688 T692 | S688-A690 PolarHBondContact O-N 3.31Å; A690-T692 PolarHBondContact O-N 3.01Å |
| 691 | H | 38.3 | Very low | 48 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | | | trans | -91.3 | 97.3 | 174.9 | -140.7 | -85 | 0 | 0 | 0 | 108.5 | K689 T693 | K689-H691 PolarHBondContact O-N 2.89Å; H691-T693 PolarHBondContact ND1-OG1 3.16Å; H691-T693 VanDerWaalsContact ND1-OG1 3.13Å; H691-T693 PolarHBondContact O-N 2.86Å |
| 692 | T | 46.8 | Very low | 46.9 | Very low | 134 Ų | 134 | 139.5 Ų | 139.5 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | | | trans | -81.7 | 96.5 | 172.7 | 50.8 | 0 | 0 | 0 | 0 | 109.3 | A690 | A690-T692 PolarHBondContact O-N 3.01Š|
| 693 | T | 43.5 | Very low | 45.9 | Very low | 102 Ų | 102 | 138.1 Ų | 138.1 | 63% | 0.626 | 77% | 0.768 | S | S | * | * | | | trans | -149.4 | 118.9 | 171.9 | 33.8 | 0 | 0 | 0 | 0 | 108.8 | H691 | H691-T693 PolarHBondContact ND1-OG1 3.16Å; H691-T693 VanDerWaalsContact ND1-OG1 3.13Å; H691-T693 PolarHBondContact O-N 2.86Å |
| 694 | E | 36.8 | Very low | 45.2 | Very low | 278 Ų | 278 | 139.5 Ų | 139.5 | 100% | 1.299 | 79% | 0.786 | S | S | * | * | | | trans | 76.4 | 0 | -174.3 | -151 | 150.3 | -142.8 | 0 | 0 | 115.6 | | |