| 1 | M | 36.4 | Very low | 32.9 | Very low | 240 Ų | 240 | 151.7 Ų | 151.7 | 100% | 1.182 | 84% | 0.839 | S | S | * | * | | | | 0 | 120.3 | 0 | -84.6 | 165 | 107.2 | 0 | 0 | 107.3 | | |
| 2 | V | 37.3 | Very low | 32.5 | Very low | 138 Ų | 138 | 152.6 Ų | 152.6 | 84% | 0.836 | 84% | 0.841 | S | S | * | * | | | trans | 46.7 | 93.4 | 167.2 | -156.9 | 0 | 0 | 0 | 0 | 116.8 | | |
| 3 | H | 31.3 | Very low | 32.7 | Very low | 173 Ų | 173 | 158.3 Ų | 158.3 | 80% | 0.801 | 84% | 0.843 | S | S | * | * | | | trans | -0.9 | 148.9 | 137.7 | -63.5 | -55.9 | 0 | 0 | 0 | 118.3 | | |
| 4 | S | 36.3 | Very low | 32.8 | Very low | 104 Ų | 104 | 154.2 Ų | 154.2 | 73% | 0.727 | 83% | 0.833 | S | S | * | * | | | cis | -175.4 | 139.7 | -3.5 | -86.2 | 0 | 0 | 0 | 0 | 106.4 | | |
| 5 | G | 29.6 | Very low | 32.9 | Very low | 70 Ų | 70 | 148.6 Ų | 148.6 | 72% | 0.722 | 83% | 0.825 | S | S | * | * | | | trans | 62.5 | 82 | 136.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | E7 | G5-E7 VanDerWaalsContact C-N 3.29Å; G5-E7 PolarHBondContact O-N 3.47Å; G5-E7 VanDerWaalsContact O-N 3.15Å |
| 6 | S | 29.9 | Very low | 33 | Very low | 128 Ų | 128 | 151.1 Ų | 151.1 | 90% | 0.895 | 83% | 0.828 | S | S | * | * | | | trans | -76 | 78.1 | 153.6 | -48.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 7 | E | 33.8 | Very low | 33.3 | Very low | 171 Ų | 171 | 156.1 Ų | 156.1 | 80% | 0.799 | 83% | 0.832 | S | S | * | * | | | trans | -111.6 | 99.3 | 174.7 | -70.7 | -166.5 | 161 | 0 | 0 | 111.3 | G5 N9 | G5-E7 VanDerWaalsContact C-N 3.29Å; G5-E7 PolarHBondContact O-N 3.47Å; G5-E7 VanDerWaalsContact O-N 3.15Å; E7-N9 PolarHBondContact O-N 3.13Å; E7-N9 VanDerWaalsContact O-N 3.1Å |
| 8 | T | 32 | Very low | 33.9 | Very low | 149 Ų | 149 | 151.7 Ų | 151.7 | 91% | 0.914 | 82% | 0.816 | S | S | * | * | | | trans | -66.4 | 92.5 | 162.1 | 41.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 9 | N | 30.7 | Very low | 34.4 | Very low | 140 Ų | 140 | 154.8 Ų | 154.8 | 75% | 0.749 | 82% | 0.821 | S | S | * | * | | | trans | -111.4 | 135.8 | 175.3 | -155.7 | -3.8 | 0 | 0 | 0 | 112.9 | E7 | E7-N9 PolarHBondContact O-N 3.13Å; E7-N9 VanDerWaalsContact O-N 3.1Å |
| 10 | K | 29.6 | Very low | 34.8 | Very low | 180 Ų | 180 | 155.5 Ų | 155.5 | 78% | 0.783 | 82% | 0.819 | S | S | * | * | | | trans | -69 | 133.3 | -170.3 | -62.5 | 158.4 | 175.7 | 169.7 | 0 | 111.2 | | |
| 11 | Q | 34.5 | Very low | 35 | Very low | 176 Ų | 176 | 152 Ų | 152 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | | | trans | -140 | 101.2 | 142.4 | -76.3 | -160 | -17.9 | 0 | 0 | 110.8 | R13 | Q11-R13 PolarHBondContact O-N 2.81Å; Q11-R13 VanDerWaalsContact O-N 3.09Å |
| 12 | N | 28.9 | Very low | 35.2 | Very low | 162 Ų | 162 | 151.5 Ų | 151.5 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | | | trans | -53.8 | 104 | 159.5 | -73.6 | -32.9 | 0 | 0 | 0 | 109.2 | S14 | N12-S14 PolarHBondContact O-N 3.2Š|
| 13 | R | 35.4 | Very low | 35.4 | Very low | 227 Ų | 227 | 151.9 Ų | 151.9 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | | | trans | -82.5 | 103.7 | 161.8 | -76.9 | -171.6 | 175.2 | -178.9 | -0.6 | 108.3 | Q11 G15 | Q11-R13 PolarHBondContact O-N 2.81Å; Q11-R13 VanDerWaalsContact O-N 3.09Å; R13-G15 PolarHBondContact O-N 3.44Å |
| 14 | S | 33.1 | Very low | 35.8 | Very low | 101 Ų | 101 | 149.2 Ų | 149.2 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | | | trans | -16.6 | 111.8 | 165.9 | 53.3 | 0 | 0 | 0 | 0 | 114.3 | N12 H16 | N12-S14 PolarHBondContact O-N 3.2Å; S14-H16 PolarHBondContact O-N 2.75Å |
| 15 | G | 34 | Very low | 35.8 | Very low | 70 Ų | 70 | 155.4 Ų | 155.4 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | | | trans | -54.6 | 125.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | R13 R17 | R13-G15 PolarHBondContact O-N 3.44Å; G15-R17 PolarHBondContact O-N 2.92Å |
| 16 | H | 35.2 | Very low | 36.2 | Very low | 188 Ų | 188 | 159.9 Ų | 159.9 | 87% | 0.87 | 80% | 0.797 | S | S | * | * | | | trans | -55.9 | 107.9 | 173.7 | -77.6 | -89.4 | 0 | 0 | 0 | 108.9 | S14 S18 | S14-H16 PolarHBondContact O-N 2.75Å; H16-S18 VanDerWaalsContact C-N 3.26Å; H16-S18 PolarHBondContact O-N 3.18Å |
| 17 | R | 37.6 | Very low | 36.4 | Very low | 236 Ų | 236 | 163 Ų | 163 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | | | trans | -65.8 | 93.1 | 161.8 | -71.1 | -175.6 | 171.3 | -169.2 | -1.9 | 106.4 | G15 K19 | G15-R17 PolarHBondContact O-N 2.92Å; R17-K19 PolarHBondContact O-N 2.88Å |
| 18 | S | 43.8 | Very low | 36.3 | Very low | 78 Ų | 78 | 160.1 Ų | 160.1 | 55% | 0.545 | 80% | 0.796 | S | S | . | * | | | trans | -54.8 | 126 | 162.9 | 61.5 | 0 | 0 | 0 | 0 | 106.5 | H16 H20 | H16-S18 VanDerWaalsContact C-N 3.26Å; H16-S18 PolarHBondContact O-N 3.18Å; S18-H20 PolarHBondContact O-N 3.13Å |
| 19 | K | 43.8 | Very low | 36.2 | Very low | 211 Ų | 211 | 162.1 Ų | 162.1 | 92% | 0.917 | 80% | 0.795 | S | S | * | * | | | trans | -65.2 | 88.7 | 176.5 | -69.2 | 174.7 | -179.7 | 174.5 | 0 | 106.7 | R17 C21 | R17-K19 PolarHBondContact O-N 2.88Å; K19-C21 PolarHBondContact O-N 3Å |
| 20 | H | 42.2 | Very low | 36.2 | Very low | 168 Ų | 168 | 164 Ų | 164 | 78% | 0.778 | 81% | 0.805 | S | S | * | * | | | trans | -57.3 | 127.6 | 171.5 | -75.7 | -72.4 | 0 | 0 | 0 | 108.4 | S18 R22 | S18-H20 PolarHBondContact O-N 3.13Å; H20-R22 PolarHBondContact O-N 3.12Å; H20-R22 VanDerWaalsContact O-N 3.13Å |
| 21 | C | 39.8 | Very low | 36.4 | Very low | 82 Ų | 82 | 159.9 Ų | 159.9 | 55% | 0.554 | 80% | 0.804 | S | S | * | * | | | trans | -47.1 | 118.8 | 176.5 | -178.2 | 0 | 0 | 0 | 0 | 109.6 | K19 L23 C24 | K19-C21 PolarHBondContact O-N 3Å; C21-L23 PolarHBondContact O-N 3.28Å; C21-C24 PolarHBondContact O-N 2.9Å |
| 22 | R | 41.3 | Very low | 36 | Very low | 230 Ų | 230 | 157.3 Ų | 157.3 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | G | 310 helix | trans | -59.7 | -17.9 | -173.8 | -147.5 | 174.7 | -173.5 | 161.5 | -0.1 | 112.5 | H20 | H20-R22 PolarHBondContact O-N 3.12Å; H20-R22 VanDerWaalsContact O-N 3.13Å |
| 23 | L | 41.5 | Very low | 36.2 | Very low | 145 Ų | 145 | 154.8 Ų | 154.8 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | G | 310 helix | trans | -79.5 | -17.9 | -178.2 | -64.6 | 173.1 | 0 | 0 | 0 | 114.3 | C21 R25 | C21-L23 PolarHBondContact O-N 3.28Å; L23-R25 VanDerWaalsContact C-N 3.29Å; L23-R25 PolarHBondContact O-N 3.21Å |
| 24 | C | 38.6 | Very low | 36 | Very low | 118 Ų | 118 | 149.3 Ų | 149.3 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | G | 310 helix | trans | -87.1 | 5.8 | 177.1 | -62 | 0 | 0 | 0 | 0 | 113.8 | C21 | C21-C24 PolarHBondContact O-N 2.9Š|
| 25 | R | 37.7 | Very low | 36.1 | Very low | 233 Ų | 233 | 149.9 Ų | 149.9 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | G | 310 helix | trans | -109.3 | 3.5 | -175.9 | -128.4 | -177.4 | -178.1 | 175 | 0.6 | 115 | L23 | L23-R25 VanDerWaalsContact C-N 3.29Å; L23-R25 PolarHBondContact O-N 3.21Å |
| 26 | Q | 36.2 | Very low | 35.9 | Very low | 165 Ų | 165 | 152.1 Ų | 152.1 | 77% | 0.771 | 80% | 0.804 | S | S | * | * | | | trans | -107.4 | 79.8 | 174.1 | -86.3 | -173.8 | -14.8 | 0 | 0 | 109.9 | | |
| 27 | E | 34.1 | Very low | 35.7 | Very low | 192 Ų | 192 | 151 Ų | 151 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -174.1 | 65.2 | 157.5 | -107.9 | 169.9 | -152.9 | 0 | 0 | 109.1 | | |
| 28 | S | 32.6 | Very low | 35.2 | Very low | 111 Ų | 111 | 150.3 Ų | 150.3 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | | | trans | -175.5 | 57.1 | 161.3 | 31.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 29 | Q | 30.7 | Very low | 35 | Very low | 191 Ų | 191 | 154.5 Ų | 154.5 | 89% | 0.893 | 82% | 0.818 | S | S | * | * | | | trans | -126.3 | 95.8 | 154.3 | -79.6 | -167.3 | -11.6 | 0 | 0 | 108.4 | A31 | Q29-A31 PolarHBondContact O-N 2.77Å; Q29-A31 VanDerWaalsContact O-N 3.13Å |
| 30 | L | 30.3 | Very low | 34.3 | Very low | 181 Ų | 181 | 152 Ų | 152 | 95% | 0.948 | 81% | 0.809 | S | S | * | * | | | trans | -58.7 | 103.6 | 161.4 | -76 | 129.6 | 0 | 0 | 0 | 107.8 | | |
| 31 | A | 33.2 | Very low | 34 | Very low | 92 Ų | 92 | 152.4 Ų | 152.4 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | | | trans | -117.2 | 103.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q29 | Q29-A31 PolarHBondContact O-N 2.77Å; Q29-A31 VanDerWaalsContact O-N 3.13Å |
| 32 | S | 27.1 | Very low | 33.6 | Very low | 122 Ų | 122 | 154.1 Ų | 154.1 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | | | trans | -58.1 | 125.4 | 168.8 | -55.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 33 | S | 33.1 | Very low | 33.2 | Very low | 109 Ų | 109 | 146.6 Ų | 146.6 | 76% | 0.762 | 82% | 0.823 | S | S | * | * | | | trans | -169.7 | 107.2 | 146.9 | 47.8 | 0 | 0 | 0 | 0 | 106.3 | | |
| 34 | S | 31.2 | Very low | 32.6 | Very low | 113 Ų | 113 | 147.4 Ų | 147.4 | 79% | 0.79 | 83% | 0.828 | S | S | * | * | | | | 63.4 | 120.5 | 79.8 | -177.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 35 | S | 33.7 | Very low | 32.5 | Very low | 113 Ų | 113 | 150.3 Ų | 150.3 | 79% | 0.79 | 83% | 0.83 | S | S | * | * | | | trans | 85.3 | 110.3 | 166 | 71.6 | 0 | 0 | 0 | 0 | 119.1 | | |
| 36 | C | 29.7 | Very low | 32.1 | Very low | 117 Ų | 117 | 144.4 Ų | 144.4 | 79% | 0.791 | 82% | 0.824 | S | S | * | * | | | trans | -27.8 | 134.5 | 158.3 | -54.7 | 0 | 0 | 0 | 0 | 115.6 | | |
| 37 | N | 31.7 | Very low | 31.8 | Very low | 165 Ų | 165 | 141.5 Ų | 141.5 | 88% | 0.882 | 82% | 0.822 | S | S | * | * | | | trans | -146 | 118.8 | 135.4 | -97.4 | -32.9 | 0 | 0 | 0 | 110.2 | | |
| 38 | R | 27.9 | Very low | 31.8 | Very low | 220 Ų | 220 | 138.9 Ų | 138.9 | 83% | 0.83 | 82% | 0.819 | S | S | * | * | | | trans | -94.7 | 102.3 | 179.8 | 179.2 | -174.1 | -170.7 | -173.6 | 3.8 | 106.7 | | |
| 39 | L | 37.8 | Very low | 31.7 | Very low | 167 Ų | 167 | 138.9 Ų | 138.9 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | | | trans | -136.7 | 120.7 | 162.2 | -75.8 | 177.2 | 0 | 0 | 0 | 109.7 | | |
| 40 | H | 31.1 | Very low | 31.8 | Very low | 157 Ų | 157 | 134.1 Ų | 134.1 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | | | trans | -58.7 | 142.3 | 164.2 | -74.5 | -119.5 | 0 | 0 | 0 | 109.7 | | |
| 41 | L | 35.5 | Very low | 32.1 | Very low | 177 Ų | 177 | 136.4 Ų | 136.4 | 93% | 0.927 | 80% | 0.804 | S | S | * | * | | | trans | -164.7 | 116.7 | 138.3 | -100.5 | 147.9 | 0 | 0 | 0 | 108.7 | G43 | L41-G43 PolarHBondContact O-N 2.93Š|
| 42 | S | 30.6 | Very low | 32.2 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | | | trans | -58.3 | 124.9 | 168.6 | -43.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 43 | G | 33.5 | Very low | 32.7 | Very low | 72 Ų | 72 | 138.1 Ų | 138.1 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | | | trans | -142.7 | 80.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | L41 | L41-G43 PolarHBondContact O-N 2.93Š|
| 44 | D | 28.6 | Very low | 32.7 | Very low | 161 Ų | 161 | 138.5 Ų | 138.5 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | | | trans | -59.9 | 131.3 | 153.8 | -74.7 | -43.3 | 0 | 0 | 0 | 106.9 | | |
| 45 | E | 36.7 | Very low | 33.1 | Very low | 179 Ų | 179 | 137.3 Ų | 137.3 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | | | trans | 160.6 | 83.4 | 151.4 | -71.7 | -115.5 | 139.3 | 0 | 0 | 106.7 | S47 | E45-S47 PolarHBondContact O-N 3.29Š|
| 46 | S | 28 | Very low | 33.5 | Very low | 110 Ų | 110 | 141.4 Ų | 141.4 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | | | trans | 22.9 | 86.2 | 137.1 | 56.6 | 0 | 0 | 0 | 0 | 117.5 | | |
| 47 | S | 31.4 | Very low | 33.9 | Very low | 104 Ų | 104 | 143.5 Ų | 143.5 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | trans | -118.1 | 96.4 | 144 | 69.9 | 0 | 0 | 0 | 0 | 107.3 | E45 T49 | E45-S47 PolarHBondContact O-N 3.29Å; S47-T49 PolarHBondContact O-N 2.96Å |
| 48 | V | 32.7 | Very low | 34.2 | Very low | 137 Ų | 137 | 145.9 Ų | 145.9 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | | | trans | -60.8 | 91.2 | 171.8 | 177.3 | 0 | 0 | 0 | 0 | 106.9 | A50 | V48-A50 VanDerWaalsContact C-N 3.29Å; V48-A50 PolarHBondContact O-N 3.04Å |
| 49 | T | 31 | Very low | 34.9 | Very low | 111 Ų | 111 | 144 Ų | 144 | 68% | 0.681 | 80% | 0.795 | S | S | * | * | | | trans | -64.2 | 100.4 | 162.9 | 45.6 | 0 | 0 | 0 | 0 | 105.9 | S47 R51 | S47-T49 PolarHBondContact O-N 2.96Å; T49-R51 PolarHBondContact O-N 2.93Å |
| 50 | A | 34 | Very low | 35.2 | Very low | 91 Ų | 91 | 144.4 Ų | 144.4 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | | | trans | -55.4 | 91.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108 | V48 S52 | V48-A50 VanDerWaalsContact C-N 3.29Å; V48-A50 PolarHBondContact O-N 3.04Å; A50-S52 PolarHBondContact O-N 3.31Å |
| 51 | R | 35.2 | Very low | 35.6 | Very low | 228 Ų | 228 | 140.1 Ų | 140.1 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | | | trans | -64.5 | 94.7 | 165.8 | -83.6 | 179.2 | 157.4 | 173.4 | -5.7 | 105.4 | T49 V53 | T49-R51 PolarHBondContact O-N 2.93Å; R51-V53 WeakPolarHBondContact O-CG2 3.47Å; R51-V53 PolarHBondContact O-N 3.15Å |
| 52 | S | 35.9 | Very low | 36.1 | Very low | 114 Ų | 114 | 142.4 Ų | 142.4 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | | | trans | -56.9 | 107.3 | 173.3 | 68 | 0 | 0 | 0 | 0 | 107.3 | A50 C54 | A50-S52 PolarHBondContact O-N 3.31Å; S52-C54 PolarHBondContact O-N 3.36Å; S52-C54 VanDerWaalsContact O-N 3.12Å |
| 53 | V | 37.7 | Very low | 37.2 | Very low | 137 Ų | 137 | 148.1 Ų | 148.1 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | | | trans | -66 | 113.5 | -175.7 | -165.1 | 0 | 0 | 0 | 0 | 106.7 | R51 S55 | R51-V53 WeakPolarHBondContact O-CG2 3.47Å; R51-V53 PolarHBondContact O-N 3.15Å; V53-S55 PolarHBondContact O-N 3.23Å |
| 54 | C | 33.7 | Very low | 37.8 | Very low | 116 Ų | 116 | 152.7 Ų | 152.7 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | | | trans | -63.3 | 104.5 | 175 | -167.7 | 0 | 0 | 0 | 0 | 107.7 | S52 K56 | S52-C54 PolarHBondContact O-N 3.36Å; S52-C54 VanDerWaalsContact O-N 3.12Å; C54-K56 PolarHBondContact O-N 3.09Å |
| 55 | S | 39 | Very low | 38.4 | Very low | 89 Ų | 89 | 156.5 Ų | 156.5 | 62% | 0.622 | 80% | 0.795 | S | S | * | * | | | trans | -54.6 | 111.5 | 176 | 174 | 0 | 0 | 0 | 0 | 109 | V53 H57 | V53-S55 PolarHBondContact O-N 3.23Å; S55-H57 PolarHBondContact O-N 3.27Å; S55-H57 VanDerWaalsContact O-N 3.15Å |
| 56 | K | 42.1 | Very low | 38.9 | Very low | 199 Ų | 199 | 152.9 Ų | 152.9 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | | | trans | -70.6 | 106.4 | 172.8 | -72 | -179 | 177.9 | 177.9 | 0 | 107.4 | C54 R58 | C54-K56 PolarHBondContact O-N 3.09Å; K56-R58 PolarHBondContact O-N 3.06Å |
| 57 | H | 38.6 | Very low | 39.5 | Very low | 160 Ų | 160 | 153.6 Ų | 153.6 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | | | trans | -58 | 113.1 | 169.5 | -71.6 | -75.5 | 0 | 0 | 0 | 109.5 | S55 H59 | S55-H57 PolarHBondContact O-N 3.27Å; S55-H57 VanDerWaalsContact O-N 3.15Å; H57-H59 PolarHBondContact O-N 3.15Å; H57-H59 VanDerWaalsContact O-N 3.17Å |
| 58 | R | 38.1 | Very low | 39.8 | Very low | 215 Ų | 215 | 157.7 Ų | 157.7 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | | | trans | -75.9 | 101.9 | 176.8 | -158.7 | 175.6 | -171.3 | 168.5 | 2 | 107.4 | K56 H60 | K56-R58 PolarHBondContact O-N 3.06Å; R58-H60 PolarHBondContact O-N 3.1Å |
| 59 | H | 40.7 | Very low | 40 | Very low | 180 Ų | 180 | 156.7 Ų | 156.7 | 83% | 0.833 | 80% | 0.798 | S | S | * | * | | | trans | -61.9 | 111.2 | 172.5 | -72.4 | -75.4 | 0 | 0 | 0 | 109.3 | H57 G61 | H57-H59 PolarHBondContact O-N 3.15Å; H57-H59 VanDerWaalsContact O-N 3.17Å; H59-G61 VanDerWaalsContact C-N 3.29Å; H59-G61 PolarHBondContact O-N 3.17Å |
| 60 | H | 45.9 | Very low | 40 | Very low | 177 Ų | 177 | 158.1 Ų | 158.1 | 82% | 0.819 | 81% | 0.806 | S | S | * | * | | | trans | -71.3 | 88.9 | 169.2 | -74.3 | -78.8 | 0 | 0 | 0 | 108.7 | R58 R62 | R58-H60 PolarHBondContact O-N 3.1Å; H60-R62 PolarHBondContact O-N 3.06Å |
| 61 | G | 39.1 | Very low | 39.9 | Very low | 67 Ų | 67 | 158.2 Ų | 158.2 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | | | trans | -59 | 117.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | H59 R63 | H59-G61 VanDerWaalsContact C-N 3.29Å; H59-G61 PolarHBondContact O-N 3.17Å; G61-R63 PolarHBondContact O-N 2.94Å; G61-R63 VanDerWaalsContact O-N 3.09Å |
| 62 | R | 46.4 | Very low | 39.8 | Very low | 225 Ų | 225 | 151.8 Ų | 151.8 | 85% | 0.849 | 80% | 0.797 | S | S | * | * | | | trans | -62.2 | 106.7 | 177.1 | -150.3 | 179.1 | -163.1 | -149 | 5.1 | 108.8 | H60 H64 | H60-R62 PolarHBondContact O-N 3.06Å; R62-H64 PolarHBondContact O-N 3.11Å |
| 63 | R | 52.5 | Low | 39.6 | Very low | 238 Ų | 238 | 154.2 Ų | 154.2 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | | | trans | -72.1 | 109.9 | 174.7 | -71.8 | -177.4 | 179.8 | -178.3 | -0.7 | 108.8 | G61 R65 | G61-R63 PolarHBondContact O-N 2.94Å; G61-R63 VanDerWaalsContact O-N 3.09Å; R63-R65 PolarHBondContact O-N 3.05Å; R63-R65 VanDerWaalsContact O-N 3.17Å |
| 64 | H | 45.4 | Very low | 39.4 | Very low | 168 Ų | 168 | 154.1 Ų | 154.1 | 78% | 0.778 | 80% | 0.796 | S | S | * | * | | | trans | -65.5 | 110.4 | 167 | -70.3 | -88.7 | 0 | 0 | 0 | 108.4 | R62 S66 | R62-H64 PolarHBondContact O-N 3.11Å; H64-S66 VanDerWaalsContact C-N 3.34Å; H64-S66 PolarHBondContact O-N 3.17Å |
| 65 | R | 41.9 | Very low | 39.2 | Very low | 242 Ų | 242 | 157.6 Ų | 157.6 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | | | trans | -71.2 | 94.9 | 165.5 | -81.5 | -176.7 | 175 | -177.6 | -1.5 | 107.2 | R63 S67 | R63-R65 PolarHBondContact O-N 3.05Å; R63-R65 VanDerWaalsContact O-N 3.17Å; R65-S67 PolarHBondContact O-N 3.2Å |
| 66 | S | 46.7 | Very low | 38.9 | Very low | 102 Ų | 102 | 162.7 Ų | 162.7 | 71% | 0.713 | 81% | 0.814 | S | S | * | * | | | trans | -67.3 | 117.4 | 163.9 | 52.8 | 0 | 0 | 0 | 0 | 108.4 | H64 K68 | H64-S66 VanDerWaalsContact C-N 3.34Å; H64-S66 PolarHBondContact O-N 3.17Å; S66-K68 PolarHBondContact O-N 3.49Å |
| 67 | S | 42 | Very low | 38.3 | Very low | 125 Ų | 125 | 158.9 Ų | 158.9 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | | | trans | -60.9 | 101.6 | 173 | -34.6 | 0 | 0 | 0 | 0 | 109.2 | R65 | R65-S67 PolarHBondContact O-N 3.2Š|
| 68 | K | 36.2 | Very low | 38.3 | Very low | 190 Ų | 190 | 159.4 Ų | 159.4 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | | | trans | -84.4 | 116.5 | 165.7 | -94.3 | -179.5 | 173 | 179.7 | 0 | 107.9 | S66 V70 | S66-K68 PolarHBondContact O-N 3.49Å; K68-V70 PolarHBondContact O-N 3.09Å |
| 69 | S | 37.1 | Very low | 38.1 | Very low | 117 Ų | 117 | 155.2 Ų | 155.2 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | -58.9 | 121.9 | 167.2 | 47.8 | 0 | 0 | 0 | 0 | 109.6 | S71 | S69-S71 PolarHBondContact O-N 3.21Š|
| 70 | V | 32.1 | Very low | 37.8 | Very low | 140 Ų | 140 | 153.3 Ų | 153.3 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | | | trans | -83.7 | 110.8 | 171.7 | 177.8 | 0 | 0 | 0 | 0 | 107 | K68 | K68-V70 PolarHBondContact O-N 3.09Š|
| 71 | S | 31.8 | Very low | 37.5 | Very low | 93 Ų | 93 | 152.2 Ų | 152.2 | 65% | 0.65 | 81% | 0.809 | S | S | * | * | | | trans | -69.1 | 125.1 | 170 | 165 | 0 | 0 | 0 | 0 | 108.4 | S69 | S69-S71 PolarHBondContact O-N 3.21Š|
| 72 | A | 33.2 | Very low | 37.1 | Very low | 94 Ų | 94 | 155.3 Ų | 155.3 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | | | trans | -83.8 | 104.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 73 | E | 31.1 | Very low | 36.4 | Very low | 165 Ų | 165 | 150.1 Ų | 150.1 | 77% | 0.771 | 81% | 0.808 | S | S | * | * | | | trans | -165.5 | 145.2 | 168.5 | -110.5 | 164 | -145.6 | 0 | 0 | 109.1 | | |
| 74 | T | 33.7 | Very low | 35.3 | Very low | 134 Ų | 134 | 142.8 Ų | 142.8 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | | | trans | 95.8 | 75.8 | 174 | 66.2 | 0 | 0 | 0 | 0 | 117.5 | | |
| 75 | E | 28.9 | Very low | 34.6 | Very low | 189 Ų | 189 | 138.2 Ų | 138.2 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | | | | -4.4 | 123.6 | 125 | -59 | 178.1 | 162 | 0 | 0 | 115.8 | | |
| 76 | Q | 33.2 | Very low | 34 | Very low | 196 Ų | 196 | 136.8 Ų | 136.8 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | | | trans | -143.5 | 118.8 | 147.9 | -112.3 | 175.9 | 25.7 | 0 | 0 | 111 | | |
| 77 | T | 29.7 | Very low | 33.4 | Very low | 120 Ų | 120 | 138.6 Ų | 138.6 | 74% | 0.736 | 81% | 0.812 | S | S | * | * | | | trans | -72.9 | 125 | 177.2 | 30.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 78 | L | 39.2 | Very low | 33 | Very low | 170 Ų | 170 | 138 Ų | 138 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | | | trans | -122.5 | 85.4 | 156.1 | -80.5 | 163.6 | 0 | 0 | 0 | 105.3 | | |
| 79 | I | 33.9 | Very low | 32.8 | Very low | 128 Ų | 128 | 133.7 Ų | 133.7 | 66% | 0.656 | 81% | 0.809 | S | S | * | * | | | | 58.4 | 93.8 | 92.5 | -55.4 | 173.2 | 0 | 0 | 0 | 111.4 | | |
| 80 | N | 34.1 | Very low | 32.3 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 74% | 0.743 | 82% | 0.815 | S | S | * | * | | | trans | 36.3 | 98.9 | 133.8 | -57.8 | -3.3 | 0 | 0 | 0 | 117.2 | | |
| 81 | V | 38.4 | Very low | 32.3 | Very low | 154 Ų | 154 | 140.8 Ų | 140.8 | 93% | 0.933 | 81% | 0.813 | S | S | * | * | | | trans | -102.2 | 101.5 | 141.2 | -171.4 | 0 | 0 | 0 | 0 | 106.4 | | |
| 82 | D | 31 | Very low | 32.3 | Very low | 133 Ų | 133 | 140 Ų | 140 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | | | trans | -93.8 | 161.1 | -178.8 | -149.6 | -14.5 | 0 | 0 | 0 | 109.7 | | |
| 83 | S | 32.8 | Very low | 32.2 | Very low | 116 Ų | 116 | 145.3 Ų | 145.3 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | | | trans | 81.3 | 112.1 | 164.4 | 67.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 84 | G | 29.4 | Very low | 32.3 | Very low | 84 Ų | 84 | 143.6 Ų | 143.6 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | | | | 142.7 | 96 | 128.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 85 | G | 29.4 | Very low | 32.3 | Very low | 72 Ų | 72 | 146.4 Ų | 146.4 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | | | trans | 97.4 | 87.7 | 153.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 86 | K | 30.8 | Very low | 32.5 | Very low | 211 Ų | 211 | 144.4 Ų | 144.4 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | | | | 40.4 | 87.9 | 83 | -71.4 | -173.8 | 179.6 | 177 | 0 | 115.1 | | |
| 87 | T | 33.4 | Very low | 32.2 | Very low | 141 Ų | 141 | 143.6 Ų | 143.6 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | | | trans | -157.7 | 107.6 | 133.2 | 29.1 | 0 | 0 | 0 | 0 | 109.4 | S89 | T87-S89 PolarHBondContact O-N 3.05Š|
| 88 | A | 33.3 | Very low | 32.2 | Very low | 112 Ų | 112 | 146.4 Ų | 146.4 | 93% | 0.926 | 81% | 0.808 | S | S | * | * | | | trans | -72.8 | 112.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 89 | S | 31.6 | Very low | 31.9 | Very low | 100 Ų | 100 | 145.9 Ų | 145.9 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | | | trans | -124.9 | 108.7 | 160.8 | -172.5 | 0 | 0 | 0 | 0 | 108.9 | T87 L91 | T87-S89 PolarHBondContact O-N 3.05Å; S89-L91 PolarHBondContact O-N 3.18Å; S89-L91 VanDerWaalsContact O-N 3.14Å |
| 90 | R | 26.7 | Very low | 31.8 | Very low | 251 Ų | 251 | 149 Ų | 149 | 95% | 0.947 | 81% | 0.813 | S | S | * | * | | | trans | -75.5 | 85.3 | 178.4 | -169.9 | 179.9 | -176.7 | -177.9 | 0.5 | 107 | A92 | R90-A92 PolarHBondContact O-N 2.76Š|
| 91 | L | 32.4 | Very low | 31.7 | Very low | 154 Ų | 154 | 147.9 Ų | 147.9 | 81% | 0.806 | 81% | 0.812 | S | S | * | * | | | trans | -84.3 | 112.6 | 172 | -106.2 | 152.1 | 0 | 0 | 0 | 109 | S89 | S89-L91 PolarHBondContact O-N 3.18Å; S89-L91 VanDerWaalsContact O-N 3.14Å |
| 92 | A | 32.7 | Very low | 31.3 | Very low | 78 Ų | 78 | 149.1 Ų | 149.1 | 65% | 0.645 | 81% | 0.807 | S | S | * | * | | | trans | -61.8 | 152.1 | -178 | 0 | 0 | 0 | 0 | 0 | 112 | R90 L94 | R90-A92 PolarHBondContact O-N 2.76Å; A92-L94 PolarHBondContact O-N 3.28Å; A92-L94 VanDerWaalsContact O-N 3.07Å |
| 93 | K | 29.9 | Very low | 31.5 | Very low | 205 Ų | 205 | 148.4 Ų | 148.4 | 89% | 0.891 | 81% | 0.808 | S | S | * | * | | | trans | -40.7 | 110.9 | 160 | -74 | 173.5 | 169.1 | -175.9 | 0 | 110.1 | | |
| 94 | L | 34.5 | Very low | 31.5 | Very low | 129 Ų | 129 | 151.2 Ų | 151.2 | 68% | 0.675 | 81% | 0.808 | S | S | * | * | | | trans | -101.5 | 98.5 | 160.1 | -107.3 | 144.6 | 0 | 0 | 0 | 105.8 | A92 Q96 | A92-L94 PolarHBondContact O-N 3.28Å; A92-L94 VanDerWaalsContact O-N 3.07Å; L94-Q96 HydrophobicContact CD2-CG 4.26Å; L94-Q96 PolarHBondContact O-N 3.25Å |
| 95 | E | 33.7 | Very low | 31.8 | Very low | 192 Ų | 192 | 154.5 Ų | 154.5 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | | | trans | -62 | 91.8 | 155 | -76 | 171.1 | 159.2 | 0 | 0 | 106 | | |
| 96 | Q | 31.8 | Very low | 32.5 | Very low | 148 Ų | 148 | 156 Ų | 156 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | | | trans | -98.9 | 103.2 | 173.3 | -125.5 | 175.2 | -20.2 | 0 | 0 | 108.4 | L94 E98 | L94-Q96 HydrophobicContact CD2-CG 4.26Å; L94-Q96 PolarHBondContact O-N 3.25Å; Q96-E98 PolarHBondContact O-N 3.17Å |
| 97 | H | 27.5 | Very low | 32.9 | Very low | 178 Ų | 178 | 151.5 Ų | 151.5 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | | | trans | -61.2 | 89.2 | 168.6 | -164.3 | -64.3 | 0 | 0 | 0 | 108.2 | E99 | H97-E99 PolarHBondContact O-N 3.34Å; H97-E99 VanDerWaalsContact O-N 3.16Å |
| 98 | E | 30.8 | Very low | 32.9 | Very low | 179 Ų | 179 | 150.9 Ų | 150.9 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | | | trans | -80.4 | 98.5 | 173.1 | -81.6 | -174.3 | 165.5 | 0 | 0 | 109.4 | Q96 E100 | Q96-E98 PolarHBondContact O-N 3.17Å; E98-E100 PolarHBondContact O-N 3.42Å |
| 99 | E | 32.5 | Very low | 32.9 | Very low | 160 Ų | 160 | 152.6 Ų | 152.6 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | trans | -54 | 118.3 | 167.1 | -151.8 | 167.2 | -170.2 | 0 | 0 | 109.4 | H97 T101 | H97-E99 PolarHBondContact O-N 3.34Å; H97-E99 VanDerWaalsContact O-N 3.16Å; E99-T101 VanDerWaalsContact C-N 3.35Å; E99-T101 PolarHBondContact O-N 3.04Å |
| 100 | E | 31.6 | Very low | 33 | Very low | 193 Ų | 193 | 154.5 Ų | 154.5 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | | | trans | -57.6 | 94.1 | 173.5 | -80 | 178.3 | 141.4 | 0 | 0 | 109.7 | E98 Q102 | E98-E100 PolarHBondContact O-N 3.42Å; E100-Q102 PolarHBondContact O-N 3.47Å |
| 101 | T | 31.3 | Very low | 33.3 | Very low | 116 Ų | 116 | 151.2 Ų | 151.2 | 71% | 0.712 | 78% | 0.775 | S | S | * | * | | | trans | -82.2 | 100.5 | 171 | 30.7 | 0 | 0 | 0 | 0 | 108.2 | E99 T103 | E99-T101 VanDerWaalsContact C-N 3.35Å; E99-T101 PolarHBondContact O-N 3.04Å; T101-T103 VanDerWaalsContact C-N 3.3Å; T101-T103 PolarHBondContact O-N 3.41Å; T101-T103 PolarHBondContact O-OG1 3.47Å |
| 102 | Q | 30.8 | Very low | 33.3 | Very low | 179 Ų | 179 | 149.6 Ų | 149.6 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | | | trans | -55 | 94 | 167 | -69.7 | 179.4 | -4.6 | 0 | 0 | 109 | E100 E104 | E100-Q102 PolarHBondContact O-N 3.47Å; Q102-E104 PolarHBondContact O-N 3.48Å |
| 103 | T | 34.1 | Very low | 33.1 | Very low | 118 Ų | 118 | 148.6 Ų | 148.6 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | | | trans | -83.7 | 93.3 | 173.9 | -45.3 | 0 | 0 | 0 | 0 | 106.6 | T101 L105 | T101-T103 VanDerWaalsContact C-N 3.3Å; T101-T103 PolarHBondContact O-N 3.41Å; T101-T103 PolarHBondContact O-OG1 3.47Å; T103-L105 PolarHBondContact O-N 3.09Å |
| 104 | E | 32.8 | Very low | 33.1 | Very low | 176 Ų | 176 | 149.5 Ų | 149.5 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | | | trans | -57.7 | 101.7 | 168.8 | -71.1 | -177.4 | 166.4 | 0 | 0 | 108.6 | Q102 P106 | Q102-E104 PolarHBondContact O-N 3.48Å; E104-P106 WeakPolarHBondContact O-CD 3.21Å |
| 105 | L | 36.4 | Very low | 33.1 | Very low | 153 Ų | 153 | 149.5 Ų | 149.5 | 80% | 0.801 | 78% | 0.778 | S | S | * | * | | | trans | -65.3 | 124 | 170.8 | -86.7 | 156.5 | 0 | 0 | 0 | 108.3 | T103 S107 | T103-L105 PolarHBondContact O-N 3.09Å; L105-S107 PolarHBondContact O-N 3.09Å |
| 106 | P | 43.1 | Very low | 33 | Very low | 104 Ų | 104 | 147.8 Ų | 147.8 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | | | trans | -63 | 128.4 | -178.8 | 22.1 | -30.5 | 0 | 0 | 0 | 110.6 | E104 N108 | E104-P106 WeakPolarHBondContact O-CD 3.21Å; P106-N108 PolarHBondContact O-N 3.39Å |
| 107 | S | 40.1 | Very low | 33.1 | Very low | 116 Ų | 116 | 148.7 Ų | 148.7 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -66.5 | 15.6 | -176.4 | 47.2 | 0 | 0 | 0 | 0 | 115.7 | L105 | L105-S107 PolarHBondContact O-N 3.09Š|
| 108 | N | 32.8 | Very low | 33.6 | Very low | 127 Ų | 127 | 145.1 Ų | 145.1 | 68% | 0.679 | 78% | 0.777 | S | S | * | * | | | trans | -117.2 | 33.4 | -170.4 | -68.9 | -27.6 | 0 | 0 | 0 | 113.9 | P106 I110 | P106-N108 PolarHBondContact O-N 3.39Å; N108-I110 PolarHBondContact O-N 3.44Å |
| 109 | L | 34.5 | Very low | 33.7 | Very low | 148 Ų | 148 | 143.5 Ų | 143.5 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | | | trans | -74.9 | 69.1 | 161.6 | -78.7 | 164.9 | 0 | 0 | 0 | 109.4 | F111 | L109-F111 PolarHBondContact O-N 3.07Š|
| 110 | I | 33.3 | Very low | 34.1 | Very low | 140 Ų | 140 | 143.3 Ų | 143.3 | 72% | 0.718 | 78% | 0.776 | S | S | * | * | | | trans | -71.2 | 104.3 | 164.2 | -57.2 | 174.3 | 0 | 0 | 0 | 105.4 | N108 S112 | N108-I110 PolarHBondContact O-N 3.44Å; I110-S112 VanDerWaalsContact C-N 3.35Å; I110-S112 PolarHBondContact O-N 2.97Å |
| 111 | F | 33.2 | Very low | 34.2 | Very low | 183 Ų | 183 | 141.4 Ų | 141.4 | 80% | 0.803 | 77% | 0.772 | S | S | * | * | | | trans | -62 | 93.8 | 173.3 | -87.3 | -97.2 | 0 | 0 | 0 | 109.8 | L109 G113 | L109-F111 PolarHBondContact O-N 3.07Å; F111-G113 PolarHBondContact O-N 2.77Å |
| 112 | S | 32.4 | Very low | 34.6 | Very low | 119 Ų | 119 | 140.1 Ų | 140.1 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | | | trans | -77.3 | 65.9 | 169.1 | 53.4 | 0 | 0 | 0 | 0 | 110.3 | I110 | I110-S112 VanDerWaalsContact C-N 3.35Å; I110-S112 PolarHBondContact O-N 2.97Å |
| 113 | G | 29.1 | Very low | 34.9 | Very low | 57 Ų | 57 | 140 Ų | 140 | 59% | 0.588 | 77% | 0.774 | S | S | * | * | | | trans | -108 | -13.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | F111 | F111-G113 PolarHBondContact O-N 2.77Š|
| 114 | Y | 29.9 | Very low | 34.9 | Very low | 224 Ų | 224 | 138.8 Ų | 138.8 | 88% | 0.878 | 77% | 0.77 | S | S | * | * | | | trans | -116.1 | 64.1 | -165.1 | -62.1 | -78.4 | 0 | 0 | 0 | 113.5 | | |
| 115 | T | 32.6 | Very low | 35.1 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | | | trans | -136.6 | 17.8 | 170.9 | 38.7 | 0 | 0 | 0 | 0 | 115.5 | | |
| 116 | N | 32.1 | Very low | 35.1 | Very low | 156 Ų | 156 | 137 Ų | 137 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | | | trans | -120.1 | 60.1 | 172.7 | -65 | -36 | 0 | 0 | 0 | 111.2 | P118 | N116-P118 WeakPolarHBondContact O-CD 3.18Š|
| 117 | L | 34.4 | Very low | 34.7 | Very low | 168 Ų | 168 | 141.1 Ų | 141.1 | 88% | 0.88 | 78% | 0.78 | S | S | * | * | | | trans | -81.4 | 114.8 | 156.3 | -82.9 | 163.2 | 0 | 0 | 0 | 106.3 | D119 | L117-D119 PolarHBondContact O-N 3.17Š|
| 118 | P | 37.3 | Very low | 34.7 | Very low | 103 Ų | 103 | 143.7 Ų | 143.7 | 67% | 0.669 | 78% | 0.781 | S | S | * | * | | | trans | -61.8 | 123.8 | 177.7 | 23 | -30 | 0 | 0 | 0 | 109.1 | N116 I120 | N116-P118 WeakPolarHBondContact O-CD 3.18Å; P118-I120 VanDerWaalsContact O-CG1 3.26Å; P118-I120 WeakPolarHBondContact O-CG1 3.13Å; P118-I120 PolarHBondContact O-N 3.5Å; P118-I120 VanDerWaalsContact O-N 3.08Å |
| 119 | D | 34.3 | Very low | 35 | Very low | 145 Ų | 145 | 145 Ų | 145 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | | | trans | -61.5 | 106.9 | 175.7 | -135.2 | -18.8 | 0 | 0 | 0 | 108.3 | L117 N121 | L117-D119 PolarHBondContact O-N 3.17Å; D119-N121 PolarHBondContact O-N 3.46Å; D119-N121 VanDerWaalsContact O-N 3.13Å |
| 120 | I | 40 | Very low | 35 | Very low | 155 Ų | 155 | 144.9 Ų | 144.9 | 80% | 0.795 | 79% | 0.788 | S | S | * | * | | | trans | -75 | 1 | -170.9 | -53.6 | -179.5 | 0 | 0 | 0 | 111.6 | P118 S122 | P118-I120 VanDerWaalsContact O-CG1 3.26Å; P118-I120 WeakPolarHBondContact O-CG1 3.13Å; P118-I120 PolarHBondContact O-N 3.5Å; P118-I120 VanDerWaalsContact O-N 3.08Å; I120-S122 PolarHBondContact O-N 3.23Å |
| 121 | N | 34.2 | Very low | 35 | Very low | 153 Ų | 153 | 146.4 Ų | 146.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -93.7 | 44.1 | -173.1 | -73 | -16 | 0 | 0 | 0 | 114.8 | D119 | D119-N121 PolarHBondContact O-N 3.46Å; D119-N121 VanDerWaalsContact O-N 3.13Å |
| 122 | S | 39 | Very low | 35.2 | Very low | 90 Ų | 90 | 143.1 Ų | 143.1 | 63% | 0.629 | 79% | 0.789 | S | S | * | * | | | trans | -130.9 | 102.1 | 166.4 | 60.7 | 0 | 0 | 0 | 0 | 112.5 | I120 S124 | I120-S122 PolarHBondContact O-N 3.23Å; S122-S124 PolarHBondContact O-N 2.91Å |
| 123 | D | 36.6 | Very low | 35.5 | Very low | 177 Ų | 177 | 146.3 Ų | 146.3 | 95% | 0.947 | 79% | 0.788 | S | S | * | * | | | trans | -66.4 | 52.4 | 166.7 | -74.5 | -41.1 | 0 | 0 | 0 | 111.9 | | |
| 124 | S | 34.7 | Very low | 35.7 | Very low | 92 Ų | 92 | 150.7 Ų | 150.7 | 64% | 0.643 | 80% | 0.798 | S | S | * | * | | | trans | -106.1 | 114.7 | 172.9 | -90.8 | 0 | 0 | 0 | 0 | 110.7 | S122 L126 | S122-S124 PolarHBondContact O-N 2.91Å; S124-L126 PolarHBondContact O-N 3.06Å |
| 125 | P | 36.6 | Very low | 36 | Very low | 123 Ų | 123 | 146.2 Ų | 146.2 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | | | trans | -65.6 | 103.9 | 174.3 | 24.3 | -29.8 | 0 | 0 | 0 | 109.4 | K127 | P125-K127 PolarHBondContact O-N 2.96Š|
| 126 | L | 37.8 | Very low | 36.1 | Very low | 168 Ų | 168 | 146.5 Ų | 146.5 | 88% | 0.88 | 79% | 0.789 | S | S | * | * | | | trans | -62.7 | 102.4 | 170.7 | -84.3 | 159.2 | 0 | 0 | 0 | 108.5 | S124 M128 | S124-L126 PolarHBondContact O-N 3.06Å; L126-M128 PolarHBondContact O-N 3.37Å; L126-M128 VanDerWaalsContact O-N 3.1Å |
| 127 | K | 35 | Very low | 36.3 | Very low | 191 Ų | 191 | 145.4 Ų | 145.4 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | | | trans | -51 | 115.1 | 166.5 | -86.8 | 179.8 | 171.9 | 178.1 | 0 | 108.9 | P125 N129 | P125-K127 PolarHBondContact O-N 2.96Å; K127-N129 PolarHBondContact O-N 2.93Å |
| 128 | M | 39.5 | Very low | 36.4 | Very low | 170 Ų | 170 | 143.8 Ų | 143.8 | 84% | 0.837 | 78% | 0.775 | S | S | * | * | | | trans | -62.1 | 102.2 | 164.5 | -65.7 | -164.1 | 179.5 | 0 | 0 | 107.8 | L126 D130 | L126-M128 PolarHBondContact O-N 3.37Å; L126-M128 VanDerWaalsContact O-N 3.1Å; M128-D130 PolarHBondContact O-N 3.08Å |
| 129 | N | 38.9 | Very low | 36.2 | Very low | 153 Ų | 153 | 145.8 Ų | 145.8 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | trans | -83.9 | 102.1 | 162.4 | -96.2 | -23.9 | 0 | 0 | 0 | 106.9 | K127 Q131 | K127-N129 PolarHBondContact O-N 2.93Å; N129-Q131 PolarHBondContact O-N 2.87Å |
| 130 | D | 35 | Very low | 36.2 | Very low | 147 Ų | 147 | 147.4 Ų | 147.4 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | | | trans | -67.5 | 59.4 | 172.2 | -69.1 | -40.6 | 0 | 0 | 0 | 111.7 | M128 P132 | M128-D130 PolarHBondContact O-N 3.08Å; D130-P132 WeakPolarHBondContact O-CD 3.41Å |
| 131 | Q | 33.5 | Very low | 36.1 | Very low | 171 Ų | 171 | 143.9 Ų | 143.9 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | | | trans | -95.3 | 112.7 | 164.8 | -106.9 | -165.8 | -1.8 | 0 | 0 | 109.7 | N129 K133 | N129-Q131 PolarHBondContact O-N 2.87Å; Q131-K133 PolarHBondContact O-N 2.78Å |
| 132 | P | 37.5 | Very low | 36.1 | Very low | 115 Ų | 115 | 140.8 Ų | 140.8 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | | | trans | -63.2 | 104.1 | 167.7 | 26.9 | -31.1 | 0 | 0 | 0 | 106.9 | D130 D134 | D130-P132 WeakPolarHBondContact O-CD 3.41Å; P132-D134 PolarHBondContact O-N 2.8Å; P132-D134 VanDerWaalsContact O-N 3.1Å |
| 133 | K | 38 | Very low | 35.8 | Very low | 185 Ų | 185 | 145.6 Ų | 145.6 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -64.2 | 112.9 | 163.7 | -93.7 | 177.6 | 174.5 | 176.7 | 0 | 106.2 | Q131 V135 | Q131-K133 PolarHBondContact O-N 2.78Å; K133-V135 VanDerWaalsContact C-N 3.3Å; K133-V135 PolarHBondContact O-N 2.85Å |
| 134 | D | 32.4 | Very low | 35.7 | Very low | 149 Ų | 149 | 145.2 Ų | 145.2 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | | | trans | -48.2 | 98 | 162.7 | -74.7 | -41.4 | 0 | 0 | 0 | 108.1 | P132 I136 | P132-D134 PolarHBondContact O-N 2.8Å; P132-D134 VanDerWaalsContact O-N 3.1Å; D134-I136 PolarHBondContact O-N 2.91Å |
| 135 | V | 36.5 | Very low | 35.7 | Very low | 130 Ų | 130 | 146.2 Ų | 146.2 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | | | trans | -74.3 | 85.9 | 167.5 | -177.5 | 0 | 0 | 0 | 0 | 104.8 | K133 N137 | K133-V135 VanDerWaalsContact C-N 3.3Å; K133-V135 PolarHBondContact O-N 2.85Å; V135-N137 PolarHBondContact O-N 2.97Å |
| 136 | I | 34.9 | Very low | 35.6 | Very low | 136 Ų | 136 | 149.8 Ų | 149.8 | 70% | 0.697 | 78% | 0.778 | S | S | * | * | | | trans | -44.7 | 124.2 | 161.8 | -65.5 | 166.4 | 0 | 0 | 0 | 106.5 | D134 L138 | D134-I136 PolarHBondContact O-N 2.91Å; I136-L138 PolarHBondContact O-N 3.31Å |
| 137 | N | 35.7 | Very low | 35.3 | Very low | 133 Ų | 133 | 146.5 Ų | 146.5 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | | | trans | -42.3 | 97.5 | 174.1 | -65.5 | -33.4 | 0 | 0 | 0 | 109.9 | V135 D139 | V135-N137 PolarHBondContact O-N 2.97Å; N137-D139 PolarHBondContact O-N 3.23Å |
| 138 | L | 37 | Very low | 35.4 | Very low | 134 Ų | 134 | 143.2 Ų | 143.2 | 70% | 0.702 | 77% | 0.765 | S | S | * | * | | | trans | -78.4 | 68.2 | 164 | -117.3 | 95.6 | 0 | 0 | 0 | 106.8 | I136 Q140 A141 | I136-L138 PolarHBondContact O-N 3.31Å; L138-Q140 PolarHBondContact O-N 3.08Å; L138-A141 PolarHBondContact O-N 3.04Å |
| 139 | D | 33.6 | Very low | 35.4 | Very low | 145 Ų | 145 | 140 Ų | 140 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 20.6 | 165.2 | -76.9 | -30.6 | 0 | 0 | 0 | 111.6 | N137 | N137-D139 PolarHBondContact O-N 3.23Š|
| 140 | Q | 34.5 | Very low | 35.4 | Very low | 178 Ų | 178 | 137.8 Ų | 137.8 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.4 | 41.4 | 177.1 | -69.6 | -172.3 | -2.8 | 0 | 0 | 110.9 | L138 S142 | L138-Q140 PolarHBondContact O-N 3.08Å; Q140-S142 VanDerWaalsContact C-N 3.33Å; Q140-S142 PolarHBondContact O-N 3.41Å |
| 141 | A | 36.8 | Very low | 35.7 | Very low | 81 Ų | 81 | 135.3 Ų | 135.3 | 67% | 0.669 | 75% | 0.746 | S | S | * | * | | | trans | -79.1 | 98 | 150.9 | 0 | 0 | 0 | 0 | 0 | 105.8 | L138 | L138-A141 PolarHBondContact O-N 3.04Š|
| 142 | S | 35 | Very low | 36.1 | Very low | 88 Ų | 88 | 131.7 Ų | 131.7 | 62% | 0.615 | 73% | 0.731 | S | S | * | * | | | trans | -38.7 | 143.8 | 171 | 51.8 | 0 | 0 | 0 | 0 | 110.6 | Q140 E144 | Q140-S142 VanDerWaalsContact C-N 3.33Å; Q140-S142 PolarHBondContact O-N 3.41Å; S142-E144 PolarHBondContact O-N 2.85Å |
| 143 | E | 33.3 | Very low | 36.2 | Very low | 191 Ų | 191 | 131 Ų | 131 | 89% | 0.893 | 73% | 0.725 | S | S | * | * | | | trans | -53.7 | 83.2 | 158.7 | -67.8 | -178.6 | 154.7 | 0 | 0 | 108.2 | T145 | E143-T145 PolarHBondContact O-N 2.93Š|
| 144 | E | 33.6 | Very low | 36.3 | Very low | 169 Ų | 169 | 124 Ų | 124 | 79% | 0.79 | 71% | 0.705 | S | S | * | * | | | trans | -64.2 | 96.1 | 160.9 | -78.5 | -171 | 165.2 | 0 | 0 | 103.7 | S142 K146 | S142-E144 PolarHBondContact O-N 2.85Å; E144-K146 PolarHBondContact O-N 3.04Å |
| 145 | T | 35.5 | Very low | 37 | Very low | 114 Ų | 114 | 123.7 Ų | 123.7 | 70% | 0.699 | 70% | 0.699 | S | S | * | * | | | trans | -43.4 | 107.1 | 164.6 | 40.3 | 0 | 0 | 0 | 0 | 106.4 | E143 S147 | E143-T145 PolarHBondContact O-N 2.93Å; T145-S147 PolarHBondContact O-N 3Å; T145-S147 PolarHBondContact O-OG 2.93Å |
| 146 | K | 33.4 | Very low | 37.2 | Very low | 198 Ų | 198 | 121.8 Ų | 121.8 | 86% | 0.861 | 68% | 0.684 | S | S | * | * | | | trans | -58.2 | 88.1 | 163.1 | -85.3 | 178.4 | 177.4 | 173.1 | 0 | 105.7 | E144 T148 | E144-K146 PolarHBondContact O-N 3.04Å; K146-T148 PolarHBondContact O-N 2.74Å |
| 147 | S | 32.2 | Very low | 37.5 | Very low | 99 Ų | 99 | 119.2 Ų | 119.2 | 69% | 0.692 | 67% | 0.674 | S | S | * | * | | | trans | -69.6 | 81.7 | 165.8 | -63.3 | 0 | 0 | 0 | 0 | 104.4 | T145 S149 | T145-S147 PolarHBondContact O-N 3Å; T145-S147 PolarHBondContact O-OG 2.93Å; S147-S149 PolarHBondContact O-N 2.87Å |
| 148 | T | 37.6 | Very low | 38 | Very low | 122 Ų | 122 | 116.1 Ų | 116.1 | 75% | 0.748 | 66% | 0.663 | S | S | * | * | | | trans | -61.8 | 93 | 156.9 | 48.3 | 0 | 0 | 0 | 0 | 104.2 | K146 S150 | K146-T148 PolarHBondContact O-N 2.74Å; T148-S150 PolarHBondContact O-N 2.84Å |
| 149 | S | 38.7 | Very low | 38 | Very low | 103 Ų | 103 | 118.4 Ų | 118.4 | 72% | 0.72 | 66% | 0.662 | S | S | * | * | | | trans | -64 | 83.7 | 165.5 | 52 | 0 | 0 | 0 | 0 | 105.9 | S147 V151 | S147-S149 PolarHBondContact O-N 2.87Å; S149-V151 PolarHBondContact O-N 3.1Å |
| 150 | S | 39.2 | Very low | 38.2 | Very low | 105 Ų | 105 | 116.6 Ų | 116.6 | 73% | 0.734 | 65% | 0.65 | S | S | * | * | | | trans | -61.5 | 97.9 | 158.6 | 56.9 | 0 | 0 | 0 | 0 | 104 | T148 D152 | T148-S150 PolarHBondContact O-N 2.84Å; S150-D152 PolarHBondContact O-N 3.04Å |
| 151 | V | 40.2 | Very low | 38.3 | Very low | 96 Ų | 96 | 112.4 Ų | 112.4 | 58% | 0.582 | 64% | 0.64 | S | S | * | * | | | trans | -58.9 | 102.6 | 166.8 | 179.2 | 0 | 0 | 0 | 0 | 104.1 | S149 V153 L156 | S149-V151 PolarHBondContact O-N 3.1Å; V151-V153 PolarHBondContact O-N 2.95Å; V151-L156 HydrophobicContact CG1-CB 4.3Å |
| 152 | D | 42.9 | Very low | 38.6 | Very low | 94 Ų | 94 | 116.1 Ų | 116.1 | 50% | 0.503 | 64% | 0.643 | S | S | . | * | | | trans | -58.7 | 106.9 | 171.6 | 173.3 | 19.4 | 0 | 0 | 0 | 106 | S150 G154 H155 L156 | S150-D152 PolarHBondContact O-N 3.04Å; D152-G154 PolarHBondContact O-N 3.41Å; D152-G154 VanDerWaalsContact O-N 3.11Å; D152-G154 PolarHBondContact OD1-N 2.88Å; D152-H155 HydrophobicContact CB-CB 4.31Å; D152-H155 PolarHBondContact O-N 2.88Å; D152-H155 IonicContact OD2-CG 3.9Å; D152-H155 IonicContact OD2-ND1 3.08Å; D152-H155 PolarHBondContact OD2-ND1 2.79Å; D152-H155 VanDerWaalsContact OD2-ND1 3.08Å; D152-L156 PolarHBondContact O-N 3.22Å; D152-L156 VanDerWaalsContact O-N 3.1Å |
| 153 | V | 39.7 | Very low | 39 | Very low | 100 Ų | 100 | 118.3 Ų | 118.3 | 61% | 0.606 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -57.7 | -26.6 | -179.6 | -174.4 | 0 | 0 | 0 | 0 | 109.4 | V151 L156 V157 | V151-V153 PolarHBondContact O-N 2.95Å; V153-L156 PolarHBondContact O-N 3.38Å; V153-V157 HydrophobicContact CG1-CG2 4.39Å; V153-V157 VanDerWaalsContact O-CG2 3.29Å; V153-V157 WeakPolarHBondContact O-CG2 3.2Å; V153-V157 PolarHBondContact O-N 3.08Å |
| 154 | G | 40.6 | Very low | 39.3 | Very low | 38 Ų | 38 | 117.3 Ų | 117.3 | 39% | 0.392 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -58.8 | -50.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D152 L156 V157 S158 | D152-G154 PolarHBondContact O-N 3.41Å; D152-G154 VanDerWaalsContact O-N 3.11Å; D152-G154 PolarHBondContact OD1-N 2.88Å; G154-L156 PolarHBondContact O-N 3.1Å; G154-V157 PolarHBondContact O-N 2.71Å; G154-S158 PolarHBondContact O-N 3.02Å; G154-S158 PolarHBondContact O-OG 2.71Å |
| 155 | H | 45.8 | Very low | 39.6 | Very low | 143 Ų | 143 | 114.2 Ų | 114.2 | 66% | 0.662 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -63.9 | -37.3 | 175.8 | -93.2 | 65.3 | 0 | 0 | 0 | 113.1 | D152 S158 R159 | D152-H155 HydrophobicContact CB-CB 4.31Å; D152-H155 PolarHBondContact O-N 2.88Å; D152-H155 IonicContact OD2-CG 3.9Å; D152-H155 IonicContact OD2-ND1 3.08Å; D152-H155 PolarHBondContact OD2-ND1 2.79Å; D152-H155 VanDerWaalsContact OD2-ND1 3.08Å; H155-S158 PolarHBondContact O-N 2.76Å; H155-R159 WeakPolarHBondContact O-CB 3.44Å; H155-R159 PolarHBondContact O-N 3.2Å |
| 156 | L | 40.8 | Very low | 39.8 | Very low | 91 Ų | 91 | 116.7 Ų | 116.7 | 48% | 0.476 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -64.2 | -42.4 | 177.4 | -171.6 | 69.8 | 0 | 0 | 0 | 111.4 | V151 D152 V153 G154 R159 M160 | V151-L156 HydrophobicContact CG1-CB 4.3Å; D152-L156 PolarHBondContact O-N 3.22Å; D152-L156 VanDerWaalsContact O-N 3.1Å; V153-L156 PolarHBondContact O-N 3.38Å; G154-L156 PolarHBondContact O-N 3.1Å; L156-R159 PolarHBondContact O-N 3.38Å; L156-M160 WeakPolarHBondContact O-CG 3.48Å; L156-M160 PolarHBondContact O-N 3.24Å |
| 157 | V | 42.2 | Very low | 40.1 | Very low | 82 Ų | 82 | 115 Ų | 115 | 50% | 0.497 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -67.6 | -44 | 176.8 | 174.4 | 0 | 0 | 0 | 0 | 111 | V153 G154 R159 M160 C161 | V153-V157 HydrophobicContact CG1-CG2 4.39Å; V153-V157 VanDerWaalsContact O-CG2 3.29Å; V153-V157 WeakPolarHBondContact O-CG2 3.2Å; V153-V157 PolarHBondContact O-N 3.08Å; G154-V157 PolarHBondContact O-N 2.71Å; V157-R159 VanDerWaalsContact C-N 3.31Å; V157-R159 PolarHBondContact O-N 3.04Å; V157-M160 PolarHBondContact O-N 3.1Å; V157-M160 VanDerWaalsContact O-N 3.14Å; V157-C161 PolarHBondContact O-N 2.82Å; V157-C161 PolarHBondContact O-SG 3.49Å |
| 158 | S | 45.9 | Very low | 40.3 | Very low | 68 Ų | 68 | 115.7 Ų | 115.7 | 48% | 0.476 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -58.6 | -42.3 | 175.2 | -64.8 | 0 | 0 | 0 | 0 | 112 | G154 H155 M160 C161 E162 | G154-S158 PolarHBondContact O-N 3.02Å; G154-S158 PolarHBondContact O-OG 2.71Å; H155-S158 PolarHBondContact O-N 2.76Å; S158-M160 PolarHBondContact O-N 2.96Å; S158-C161 PolarHBondContact O-N 2.96Å; S158-E162 PolarHBondContact O-N 2.87Å; S158-E162 VanDerWaalsContact O-N 3.1Å |
| 159 | R | 36.3 | Very low | 40.2 | Very low | 182 Ų | 182 | 115.6 Ų | 115.6 | 69% | 0.687 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -64 | -40.3 | 174.7 | -118.7 | -176.6 | -160.7 | -176.5 | 5.9 | 112.9 | H155 L156 V157 C161 E162 M163 | H155-R159 WeakPolarHBondContact O-CB 3.44Å; H155-R159 PolarHBondContact O-N 3.2Å; L156-R159 PolarHBondContact O-N 3.38Å; V157-R159 VanDerWaalsContact C-N 3.31Å; V157-R159 PolarHBondContact O-N 3.04Å; R159-C161 PolarHBondContact O-N 2.88Å; R159-E162 PolarHBondContact O-N 3.19Å; R159-M163 WeakPolarHBondContact O-CG 3.42Å; R159-M163 PolarHBondContact O-N 3.26Å; R159-M163 VanDerWaalsContact O-N 3.16Å |
| 160 | M | 37.4 | Very low | 39.8 | Very low | 106 Ų | 106 | 116.3 Ų | 116.3 | 52% | 0.522 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -63.2 | -32.2 | 175.9 | -79.7 | -175.2 | 53.5 | 0 | 0 | 112.2 | L156 V157 S158 M163 F164 | L156-M160 WeakPolarHBondContact O-CG 3.48Å; L156-M160 PolarHBondContact O-N 3.24Å; V157-M160 PolarHBondContact O-N 3.1Å; V157-M160 VanDerWaalsContact O-N 3.14Å; S158-M160 PolarHBondContact O-N 2.96Å; M160-M163 HydrophobicContact CB-CE 4.49Å; M160-M163 HydrophobicContact CG-CE 4.01Å; M160-F164 WeakPolarHBondContact O-CD2 3.34Å |
| 161 | C | 37.1 | Very low | 39.4 | Very low | 90 Ų | 90 | 119.6 Ų | 119.6 | 61% | 0.608 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -72.6 | -34.6 | 174.4 | -67.5 | 0 | 0 | 0 | 0 | 112.7 | V157 S158 R159 M163 | V157-C161 PolarHBondContact O-N 2.82Å; V157-C161 PolarHBondContact O-SG 3.49Å; S158-C161 PolarHBondContact O-N 2.96Å; R159-C161 PolarHBondContact O-N 2.88Å; C161-M163 VanDerWaalsContact C-N 3.33Å; C161-M163 PolarHBondContact O-N 3.07Å |
| 162 | E | 44.3 | Very low | 39.1 | Very low | 160 Ų | 160 | 121.1 Ų | 121.1 | 75% | 0.748 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -73.7 | -20 | 176.5 | -73.3 | 177.2 | 176.5 | 0 | 0 | 113.8 | S158 R159 F164 | S158-E162 PolarHBondContact O-N 2.87Å; S158-E162 VanDerWaalsContact O-N 3.1Å; R159-E162 PolarHBondContact O-N 3.19Å; E162-F164 PolarHBondContact O-N 2.98Å |
| 163 | M | 42.1 | Very low | 38.5 | Very low | 133 Ų | 133 | 123.4 Ų | 123.4 | 66% | 0.655 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | 1.8 | 178.4 | -75.4 | -168.9 | -61.8 | 0 | 0 | 114.8 | R159 M160 C161 P165 | R159-M163 WeakPolarHBondContact O-CG 3.42Å; R159-M163 PolarHBondContact O-N 3.26Å; R159-M163 VanDerWaalsContact O-N 3.16Å; M160-M163 HydrophobicContact CB-CE 4.49Å; M160-M163 HydrophobicContact CG-CE 4.01Å; C161-M163 VanDerWaalsContact C-N 3.33Å; C161-M163 PolarHBondContact O-N 3.07Å; M163-P165 VanDerWaalsContact C-CD 3.46Å; M163-P165 WeakPolarHBondContact O-CD 3.25Å |
| 164 | F | 40.1 | Very low | 37.9 | Very low | 171 Ų | 171 | 122.1 Ų | 122.1 | 75% | 0.75 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -105.4 | 85 | 169.9 | -70.3 | -81.8 | 0 | 0 | 0 | 109.8 | M160 E162 D166 | M160-F164 WeakPolarHBondContact O-CD2 3.34Å; E162-F164 PolarHBondContact O-N 2.98Å; F164-D166 PolarHBondContact O-N 3.25Å |
| 165 | P | 40.1 | Very low | 37.6 | Very low | 104 Ų | 104 | 128.5 Ų | 128.5 | 68% | 0.675 | 72% | 0.716 | S | S | * | * | | | trans | -64.3 | 132.3 | 173.9 | 26.7 | -32.2 | 0 | 0 | 0 | 109.3 | M163 L167 | M163-P165 VanDerWaalsContact C-CD 3.46Å; M163-P165 WeakPolarHBondContact O-CD 3.25Å; P165-L167 PolarHBondContact O-N 3.45Å |
| 166 | D | 38.9 | Very low | 36.8 | Very low | 166 Ų | 166 | 130.2 Ų | 130.2 | 89% | 0.888 | 72% | 0.724 | S | S | * | * | | | trans | -46.6 | 99.4 | 173 | -71.3 | -47.5 | 0 | 0 | 0 | 110.8 | F164 | F164-D166 PolarHBondContact O-N 3.25Š|
| 167 | L | 40.3 | Very low | 36.3 | Very low | 163 Ų | 163 | 134.8 Ų | 134.8 | 85% | 0.853 | 74% | 0.743 | S | S | * | * | | | trans | -67.4 | 131.1 | 175.1 | -83.1 | 156.1 | 0 | 0 | 0 | 109 | P165 S169 | P165-L167 PolarHBondContact O-N 3.45Å; L167-S169 PolarHBondContact O-N 3.13Å |
| 168 | P | 36.2 | Very low | 35.6 | Very low | 113 Ų | 113 | 141.7 Ų | 141.7 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | | | trans | -66.2 | 135.1 | -175.4 | 25.4 | -32 | 0 | 0 | 0 | 110.9 | S170 | P168-S170 PolarHBondContact O-N 2.86Š|
| 169 | S | 36 | Very low | 35 | Very low | 119 Ų | 119 | 147.2 Ų | 147.2 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | | | trans | -55.5 | 99.1 | 177.8 | 55.6 | 0 | 0 | 0 | 0 | 110.9 | L167 Q171 | L167-S169 PolarHBondContact O-N 3.13Å; S169-Q171 PolarHBondContact O-N 2.86Å |
| 170 | S | 30.7 | Very low | 34.7 | Very low | 118 Ų | 118 | 147.4 Ų | 147.4 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | | | trans | -76.4 | 113.3 | 171.8 | 45.5 | 0 | 0 | 0 | 0 | 109 | P168 | P168-S170 PolarHBondContact O-N 2.86Š|
| 171 | Q | 29.9 | Very low | 34.5 | Very low | 175 Ų | 175 | 151.2 Ų | 151.2 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -67.1 | 131 | -178.9 | -138.5 | 173.6 | 10 | 0 | 0 | 110.1 | S169 T173 | S169-Q171 PolarHBondContact O-N 2.86Å; Q171-T173 PolarHBondContact O-N 2.71Å |
| 172 | P | 33.2 | Very low | 34.2 | Very low | 127 Ų | 127 | 152.5 Ų | 152.5 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | | | trans | -76.8 | 109.5 | 177.3 | 28.4 | -30.4 | 0 | 0 | 0 | 110.2 | G174 | P172-G174 PolarHBondContact O-N 2.79Š|
| 173 | T | 32.1 | Very low | 33.7 | Very low | 142 Ų | 142 | 153.7 Ų | 153.7 | 87% | 0.871 | 81% | 0.806 | S | S | * | * | | | trans | -75.1 | 110 | 172.3 | 21.5 | 0 | 0 | 0 | 0 | 111.2 | Q171 | Q171-T173 PolarHBondContact O-N 2.71Š|
| 174 | G | 26.3 | Very low | 33.2 | Very low | 73 Ų | 73 | 156.6 Ų | 156.6 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | | | trans | 56.7 | 105.3 | 136.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | P172 | P172-G174 PolarHBondContact O-N 2.79Š|
| 175 | I | 34 | Very low | 32.9 | Very low | 173 Ų | 173 | 156.5 Ų | 156.5 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | | | trans | -134.8 | 126 | 147.6 | -51.6 | 178.1 | 0 | 0 | 0 | 109.5 | | |
| 176 | H | 28.9 | Very low | 32.4 | Very low | 178 Ų | 178 | 157.7 Ų | 157.7 | 82% | 0.824 | 82% | 0.822 | S | S | * | * | | | trans | -48.5 | 133.9 | -172.2 | -88 | -90.6 | 0 | 0 | 0 | 118.5 | | |
| 177 | E | 29.9 | Very low | 32 | Very low | 187 Ų | 187 | 158.5 Ų | 158.5 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | | | trans | -65.3 | 130.2 | 153.3 | -69.1 | 177.6 | 137.6 | 0 | 0 | 111.2 | | |
| 178 | R | 28.4 | Very low | 31.6 | Very low | 228 Ų | 228 | 155.8 Ų | 155.8 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | | | trans | -164.7 | 115 | 157.9 | -111.4 | 175.3 | -170.1 | -166.9 | 3.4 | 111.3 | | |
| 179 | K | 33.9 | Very low | 31.2 | Very low | 183 Ų | 183 | 159.2 Ų | 159.2 | 80% | 0.796 | 83% | 0.827 | S | S | * | * | | | trans | 137.4 | 94.6 | 139 | -75.4 | 176.9 | 179.6 | -179.7 | 0 | 112.7 | | |
| 180 | Q | 30.1 | Very low | 30.9 | Very low | 186 Ų | 186 | 159.4 Ų | 159.4 | 87% | 0.869 | 83% | 0.828 | S | S | * | * | | | trans | -63.8 | 129.8 | 157.4 | -77.3 | 170.9 | -19.9 | 0 | 0 | 109.8 | | |
| 181 | F | 32.4 | Very low | 30.8 | Very low | 186 Ų | 186 | 163 Ų | 163 | 82% | 0.816 | 83% | 0.832 | S | S | * | * | | | trans | -106.7 | 120.1 | 160.3 | -88.2 | -86.6 | 0 | 0 | 0 | 108.5 | | |
| 182 | V | 31.4 | Very low | 31.1 | Very low | 117 Ų | 117 | 160.8 Ų | 160.8 | 71% | 0.709 | 84% | 0.835 | S | S | * | * | | | trans | -91.8 | 107.7 | 175.8 | 175.3 | 0 | 0 | 0 | 0 | 107.2 | | |
| 183 | F | 33.1 | Very low | 30.9 | Very low | 186 Ų | 186 | 160.6 Ų | 160.6 | 82% | 0.816 | 83% | 0.828 | S | S | * | * | | | trans | -101.4 | 112.6 | 170.1 | -127.7 | -95.6 | 0 | 0 | 0 | 108.5 | | |
| 184 | K | 31.4 | Very low | 31 | Very low | 194 Ų | 194 | 161.8 Ų | 161.8 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | | | trans | -92.6 | 118.3 | 169.3 | -81 | 179.1 | 173.9 | 179.3 | 0 | 107 | | |
| 185 | E | 34.2 | Very low | 31.5 | Very low | 168 Ų | 168 | 166.4 Ų | 166.4 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | | | trans | -128 | 125.9 | 168.3 | -156.1 | 162.7 | -158 | 0 | 0 | 109.6 | | |
| 186 | T | 28.9 | Very low | 31.3 | Very low | 129 Ų | 129 | 166.9 Ų | 166.9 | 79% | 0.791 | 83% | 0.826 | S | S | * | * | | | trans | -84.5 | 116.6 | -168.3 | 29.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 187 | L | 30.5 | Very low | 31.6 | Very low | 183 Ų | 183 | 168.8 Ų | 168.8 | 96% | 0.958 | 83% | 0.826 | S | S | * | * | | | trans | -55.6 | 125.2 | 169 | -80.8 | 139.7 | 0 | 0 | 0 | 112.2 | | |
| 188 | S | 32 | Very low | 31.8 | Very low | 107 Ų | 107 | 166.6 Ų | 166.6 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | | | trans | -121.9 | 116 | 170.3 | 15.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 189 | Q | 28.6 | Very low | 31.9 | Very low | 185 Ų | 185 | 161.4 Ų | 161.4 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | | | trans | 32.5 | 122.1 | 140.3 | -66.9 | 172.3 | -9.3 | 0 | 0 | 119.9 | | |
| 190 | S | 30.1 | Very low | 32 | Very low | 123 Ų | 123 | 160.4 Ų | 160.4 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | | | | 169.8 | 138.8 | 98.2 | 50.2 | 0 | 0 | 0 | 0 | 112 | | |
| 191 | Q | 27.6 | Very low | 32 | Very low | 194 Ų | 194 | 159.5 Ų | 159.5 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | | | trans | -73.3 | 140.7 | 177.9 | -68.3 | 157.6 | -62 | 0 | 0 | 111.2 | | |
| 192 | S | 35.5 | Very low | 31.8 | Very low | 127 Ų | 127 | 157.5 Ų | 157.5 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | | | trans | -141.4 | 133.9 | 146.2 | 61.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 193 | D | 30.6 | Very low | 31.8 | Very low | 124 Ų | 124 | 161.6 Ų | 161.6 | 66% | 0.663 | 80% | 0.796 | S | S | * | * | | | trans | -116.3 | 133.5 | -159.8 | -152 | 13.3 | 0 | 0 | 0 | 107 | | |
| 194 | K | 33.3 | Very low | 31.7 | Very low | 167 Ų | 167 | 162.4 Ų | 162.4 | 73% | 0.726 | 80% | 0.799 | S | S | * | * | | | trans | 63.1 | 119.7 | 152.8 | -63.7 | 162.2 | -174.2 | 140 | 0 | 119.6 | | |
| 195 | D | 37.1 | Very low | 31.9 | Very low | 169 Ų | 169 | 158.9 Ų | 158.9 | 90% | 0.904 | 80% | 0.799 | S | S | * | * | | | | -151.3 | 122.5 | 119.9 | -104.4 | -30 | 0 | 0 | 0 | 111.4 | | |
| 196 | H | 30.2 | Very low | 31.8 | Very low | 183 Ų | 183 | 157.6 Ų | 157.6 | 85% | 0.847 | 80% | 0.803 | S | S | * | * | | | trans | -98.5 | 143.3 | 174.2 | -93.5 | -25.9 | 0 | 0 | 0 | 108.5 | | |
| 197 | R | 34.2 | Very low | 31.9 | Very low | 218 Ų | 218 | 160.3 Ų | 160.3 | 82% | 0.823 | 81% | 0.806 | S | S | * | * | | | trans | 176.9 | 122.8 | 142.6 | -99.6 | 173.7 | -178.8 | -145.8 | 0.4 | 111.8 | | |
| 198 | Q | 33.4 | Very low | 32.1 | Very low | 141 Ų | 141 | 159.9 Ų | 159.9 | 66% | 0.659 | 80% | 0.804 | S | S | * | * | | | | 94 | 147.2 | 119.4 | -73.4 | -177.1 | -66.6 | 0 | 0 | 112.8 | | |
| 199 | D | 32.3 | Very low | 31.9 | Very low | 119 Ų | 119 | 159.2 Ų | 159.2 | 64% | 0.636 | 80% | 0.799 | S | S | * | * | | | cis | -170.6 | 170.2 | -10.1 | -97.4 | -27.2 | 0 | 0 | 0 | 105.9 | | |
| 200 | H | 35.2 | Very low | 32.1 | Very low | 162 Ų | 162 | 158.7 Ų | 158.7 | 75% | 0.75 | 80% | 0.796 | S | S | * | * | | | trans | 86.7 | 108.8 | 170 | -67.4 | -62.8 | 0 | 0 | 0 | 118.2 | | |
| 201 | E | 29.4 | Very low | 32 | Very low | 167 Ų | 167 | 164.2 Ų | 164.2 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | | | | 60.6 | 129.9 | 69.9 | -65.7 | -167.6 | 148.9 | 0 | 0 | 111.9 | | |
| 202 | Q | 30 | Very low | 32.2 | Very low | 144 Ų | 144 | 160.9 Ų | 160.9 | 67% | 0.673 | 80% | 0.797 | S | S | * | * | | | cis | -175.5 | 165.7 | 38.6 | -163.9 | 175.5 | 4.3 | 0 | 0 | 110.3 | | |
| 203 | Y | 30.6 | Very low | 32.1 | Very low | 204 Ų | 204 | 160 Ų | 160 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | | | trans | 114.1 | 123.3 | 155.8 | -74.3 | -83.2 | 0 | 0 | 0 | 121 | | |
| 204 | K | 30.1 | Very low | 32 | Very low | 202 Ų | 202 | 158 Ų | 158 | 88% | 0.878 | 80% | 0.8 | S | S | * | * | | | trans | -83.8 | 145.6 | 178 | -84 | 173.9 | 167.5 | 176 | 0 | 111.5 | | |
| 205 | S | 36.9 | Very low | 32.1 | Very low | 121 Ų | 121 | 157.8 Ų | 157.8 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | | | trans | -118.5 | 135.3 | 164.4 | 11.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 206 | V | 31.8 | Very low | 31.8 | Very low | 141 Ų | 141 | 155.5 Ų | 155.5 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | | | trans | -93.4 | 141.7 | -173.8 | 171.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 207 | E | 31 | Very low | 31.8 | Very low | 185 Ų | 185 | 154.1 Ų | 154.1 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | | | trans | -71.8 | 135.5 | -178.3 | -60.6 | 172 | 152.2 | 0 | 0 | 113 | | |
| 208 | L | 35.4 | Very low | 31.5 | Very low | 174 Ų | 174 | 148.2 Ų | 148.2 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | | | trans | -128.6 | 111.2 | 160.3 | -85 | 167.4 | 0 | 0 | 0 | 110.2 | | |
| 209 | S | 27.5 | Very low | 31.1 | Very low | 93 Ų | 93 | 149.7 Ų | 149.7 | 65% | 0.65 | 81% | 0.806 | S | S | * | * | | | trans | -58.6 | 139.8 | 164.7 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 210 | H | 32 | Very low | 30.8 | Very low | 174 Ų | 174 | 152.7 Ų | 152.7 | 81% | 0.806 | 82% | 0.818 | S | S | * | * | | | | 178.9 | 121.1 | 126.7 | -88.8 | -57.4 | 0 | 0 | 0 | 113.6 | | |
| 211 | R | 28.9 | Very low | 30.4 | Very low | 239 Ų | 239 | 152 Ų | 152 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | | | trans | 48.4 | 110.1 | 146.3 | -85.9 | 179.6 | 168.2 | 170.6 | -3.7 | 121.2 | | |
| 212 | S | 31.4 | Very low | 30.3 | Very low | 124 Ų | 124 | 148.5 Ų | 148.5 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | | | trans | -62.6 | 126.5 | 157.8 | 43.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 213 | S | 34 | Very low | 30.1 | Very low | 109 Ų | 109 | 146 Ų | 146 | 76% | 0.762 | 82% | 0.822 | S | S | * | * | | | trans | -102.5 | 113.7 | 157.7 | 54.3 | 0 | 0 | 0 | 0 | 108.4 | L215 | S213-L215 PolarHBondContact O-N 2.72Š|
| 214 | G | 27.5 | Very low | 30 | Very low | 83 Ų | 83 | 141 Ų | 141 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 118.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 215 | L | 34.7 | Very low | 30.1 | Very low | 162 Ų | 162 | 137 Ų | 137 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 120.7 | 162.7 | -68.9 | 174.5 | 0 | 0 | 0 | 107.6 | S213 | S213-L215 PolarHBondContact O-N 2.72Š|
| 216 | S | 31.2 | Very low | 29.8 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -66 | 129.5 | -178.1 | 53.1 | 0 | 0 | 0 | 0 | 111.5 | A218 | S216-A218 PolarHBondContact O-N 2.86Å; S216-A218 VanDerWaalsContact O-N 3.09Å |
| 217 | N | 30 | Very low | 29.6 | Very low | 155 Ų | 155 | 142.1 Ų | 142.1 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | | | trans | -64.4 | 99.5 | 174.4 | -70.5 | -29 | 0 | 0 | 0 | 111.5 | H219 | N217-H219 PolarHBondContact O-N 2.97Š|
| 218 | A | 27.9 | Very low | 29.4 | Very low | 93 Ų | 93 | 138.9 Ų | 138.9 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | | | trans | -80.6 | 99.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 108 | S216 M220 | S216-A218 PolarHBondContact O-N 2.86Å; S216-A218 VanDerWaalsContact O-N 3.09Å; A218-M220 PolarHBondContact O-N 2.96Å; A218-M220 VanDerWaalsContact O-N 3.1Å |
| 219 | H | 25.6 | Very low | 29.3 | Very low | 172 Ų | 172 | 137.3 Ų | 137.3 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | | | trans | -74.1 | 94.7 | -176.8 | -146.5 | 65.4 | 0 | 0 | 0 | 109.5 | N217 I221 | N217-H219 PolarHBondContact O-N 2.97Å; H219-I221 PolarHBondContact O-N 2.83Å |
| 220 | M | 27 | Very low | 29.5 | Very low | 182 Ų | 182 | 139.7 Ų | 139.7 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | | | trans | -75.8 | 104.4 | 169.8 | -73.3 | -111.2 | -69.4 | 0 | 0 | 108.6 | A218 A222 | A218-M220 PolarHBondContact O-N 2.96Å; A218-M220 VanDerWaalsContact O-N 3.1Å; M220-A222 PolarHBondContact O-N 3.26Å |
| 221 | I | 26 | Very low | 29.5 | Very low | 148 Ų | 148 | 138.5 Ų | 138.5 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | | | trans | -70.6 | 97.9 | 170.4 | -61.7 | 169.6 | 0 | 0 | 0 | 106.7 | H219 A223 | H219-I221 PolarHBondContact O-N 2.83Å; I221-A223 PolarHBondContact O-N 3.08Å |
| 222 | A | 26.5 | Very low | 29.8 | Very low | 94 Ų | 94 | 131.5 Ų | 131.5 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | | | trans | -67.1 | 100.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | M220 S224 | M220-A222 PolarHBondContact O-N 3.26Å; A222-S224 VanDerWaalsContact C-N 3.34Å; A222-S224 PolarHBondContact O-N 3.13Å |
| 223 | A | 26.8 | Very low | 29.9 | Very low | 90 Ų | 90 | 131 Ų | 131 | 74% | 0.744 | 77% | 0.773 | S | S | * | * | | | trans | -62.2 | 100.1 | 167 | 0 | 0 | 0 | 0 | 0 | 107.9 | I221 P225 | I221-A223 PolarHBondContact O-N 3.08Å; A223-P225 VanDerWaalsContact O-CD 3.31Å; A223-P225 WeakPolarHBondContact O-CD 3.3Å; A223-P225 VanDerWaalsContact O-N 3.16Å |
| 224 | S | 27.6 | Very low | 29.8 | Very low | 101 Ų | 101 | 129.9 Ų | 129.9 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | | | trans | -53.8 | 114.5 | 171.8 | 167.1 | 0 | 0 | 0 | 0 | 108.7 | A222 K226 | A222-S224 VanDerWaalsContact C-N 3.34Å; A222-S224 PolarHBondContact O-N 3.13Å; S224-K226 PolarHBondContact O-N 2.86Å |
| 225 | P | 32.6 | Very low | 29.9 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | | | trans | -64.4 | 109.6 | 175.4 | -6.8 | 20.1 | 0 | 0 | 0 | 107.2 | A223 E227 | A223-P225 VanDerWaalsContact O-CD 3.31Å; A223-P225 WeakPolarHBondContact O-CD 3.3Å; A223-P225 VanDerWaalsContact O-N 3.16Å; P225-E227 PolarHBondContact O-N 2.88Å |
| 226 | K | 29.8 | Very low | 29.6 | Very low | 191 Ų | 191 | 130.1 Ų | 130.1 | 83% | 0.83 | 75% | 0.751 | S | S | * | * | | | trans | -59.8 | 125.7 | 171.2 | -83.2 | 179.8 | 173.8 | 177.5 | 0 | 107.9 | S224 T228 | S224-K226 PolarHBondContact O-N 2.86Å; K226-T228 VanDerWaalsContact C-N 3.33Å; K226-T228 PolarHBondContact O-N 2.83Å |
| 227 | E | 28.7 | Very low | 29.3 | Very low | 178 Ų | 178 | 133.3 Ų | 133.3 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | | | trans | -58 | 88 | 175.3 | -64.4 | 171.9 | 140.9 | 0 | 0 | 110.3 | P225 L229 | P225-E227 PolarHBondContact O-N 2.88Å; E227-L229 PolarHBondContact O-N 2.88Å; E227-L229 VanDerWaalsContact O-N 3.16Å |
| 228 | T | 26.9 | Very low | 29.2 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 72% | 0.718 | 75% | 0.746 | S | S | * | * | | | trans | -80 | 87.9 | 154.9 | 41.7 | 0 | 0 | 0 | 0 | 106.5 | K226 I230 | K226-T228 VanDerWaalsContact C-N 3.33Å; K226-T228 PolarHBondContact O-N 2.83Å; T228-I230 PolarHBondContact O-N 3.05Å |
| 229 | L | 32.8 | Very low | 29.3 | Very low | 141 Ų | 141 | 135 Ų | 135 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | | | trans | -56.8 | 86.8 | 156.5 | -92.4 | 140.2 | 0 | 0 | 0 | 106.7 | E227 N231 | E227-L229 PolarHBondContact O-N 2.88Å; E227-L229 VanDerWaalsContact O-N 3.16Å; L229-N231 VanDerWaalsContact C-N 3.3Å; L229-N231 PolarHBondContact O-N 2.93Å |
| 230 | I | 31.2 | Very low | 29.4 | Very low | 142 Ų | 142 | 136.7 Ų | 136.7 | 73% | 0.728 | 75% | 0.747 | S | S | * | * | | | trans | -63.8 | 102.7 | 168.4 | -65 | 170.4 | 0 | 0 | 0 | 104.5 | T228 D232 | T228-I230 PolarHBondContact O-N 3.05Å; I230-D232 PolarHBondContact O-N 2.98Å |
| 231 | N | 33.4 | Very low | 29.7 | Very low | 150 Ų | 150 | 134 Ų | 134 | 80% | 0.802 | 74% | 0.744 | S | S | * | * | | | trans | -61.9 | 81.6 | 164.1 | -72.8 | -41.8 | 0 | 0 | 0 | 106.8 | L229 P233 | L229-N231 VanDerWaalsContact C-N 3.3Å; L229-N231 PolarHBondContact O-N 2.93Å; N231-P233 WeakPolarHBondContact O-CD 3.26Å |
| 232 | D | 34.2 | Very low | 29.9 | Very low | 91 Ų | 91 | 133.3 Ų | 133.3 | 49% | 0.487 | 75% | 0.746 | S | S | . | * | | | trans | -70.7 | 112 | 168.3 | -171 | -14.7 | 0 | 0 | 0 | 107.1 | I230 A234 V235 | I230-D232 PolarHBondContact O-N 2.98Å; D232-A234 PolarHBondContact O-N 2.79Å; D232-A234 VanDerWaalsContact OD1-CB 3.27Å; D232-A234 WeakPolarHBondContact OD1-CB 3.41Å; D232-A234 PolarHBondContact OD1-N 2.76Å; D232-V235 HydrophobicContact CB-CG2 4.47Å; D232-V235 PolarHBondContact O-N 3.42Å |
| 233 | P | 34.6 | Very low | 30.2 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 75% | 0.747 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -11.8 | 178.8 | 24.3 | -32 | 0 | 0 | 0 | 112.9 | N231 V235 | N231-P233 WeakPolarHBondContact O-CD 3.26Å; P233-V235 PolarHBondContact O-N 3.16Å |
| 234 | A | 31.6 | Very low | 30.4 | Very low | 84 Ų | 84 | 134.9 Ų | 134.9 | 69% | 0.694 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -15.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D232 Q236 | D232-A234 PolarHBondContact O-N 2.79Å; D232-A234 VanDerWaalsContact OD1-CB 3.27Å; D232-A234 WeakPolarHBondContact OD1-CB 3.41Å; D232-A234 PolarHBondContact OD1-N 2.76Å; A234-Q236 VanDerWaalsContact C-N 3.34Å; A234-Q236 PolarHBondContact O-N 3.44Å |
| 235 | V | 28.4 | Very low | 30.4 | Very low | 98 Ų | 98 | 134.6 Ų | 134.6 | 59% | 0.594 | 74% | 0.741 | S | S | * | * | | | trans | -97.6 | 60.3 | 173.8 | -162.2 | 0 | 0 | 0 | 0 | 109.7 | D232 P233 K237 | D232-V235 HydrophobicContact CB-CG2 4.47Å; D232-V235 PolarHBondContact O-N 3.42Å; P233-V235 PolarHBondContact O-N 3.16Å; V235-K237 HydrophobicContact CG1-CG 4.18Å; V235-K237 PolarHBondContact O-N 2.77Å |
| 236 | Q | 27.8 | Very low | 30.3 | Very low | 152 Ų | 152 | 140 Ų | 140 | 71% | 0.71 | 75% | 0.746 | S | S | * | * | | | trans | -63 | 94.8 | 157.6 | -92.2 | -176.6 | -3.6 | 0 | 0 | 107.6 | A234 F238 | A234-Q236 VanDerWaalsContact C-N 3.34Å; A234-Q236 PolarHBondContact O-N 3.44Å; Q236-F238 VanDerWaalsContact C-N 3.33Å; Q236-F238 PolarHBondContact O-N 2.81Å |
| 237 | K | 26.9 | Very low | 30.1 | Very low | 187 Ų | 187 | 140 Ų | 140 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | | | trans | -62 | 98.4 | 167.7 | -74.1 | 179.6 | 179.3 | 173.1 | 0 | 107.2 | V235 S239 | V235-K237 HydrophobicContact CG1-CG 4.18Å; V235-K237 PolarHBondContact O-N 2.77Å; K237-S239 PolarHBondContact O-N 3.2Å |
| 238 | F | 27.5 | Very low | 30.2 | Very low | 174 Ų | 174 | 136.7 Ų | 136.7 | 76% | 0.763 | 74% | 0.742 | S | S | * | * | | | trans | -59.7 | 109.2 | 164.7 | -79.2 | -88 | 0 | 0 | 0 | 107.7 | Q236 Y240 | Q236-F238 VanDerWaalsContact C-N 3.33Å; Q236-F238 PolarHBondContact O-N 2.81Å; F238-Y240 PolarHBondContact O-N 3.29Å |
| 239 | S | 29.4 | Very low | 30.2 | Very low | 111 Ų | 111 | 137.2 Ų | 137.2 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | | | trans | -64.5 | 113.6 | 170.5 | 22.7 | 0 | 0 | 0 | 0 | 107.8 | K237 | K237-S239 PolarHBondContact O-N 3.2Š|
| 240 | Y | 27.6 | Very low | 30.1 | Very low | 206 Ų | 206 | 134.1 Ų | 134.1 | 81% | 0.808 | 75% | 0.747 | S | S | * | * | | | trans | -55.3 | 135.5 | 168.6 | -69 | -88 | 0 | 0 | 0 | 108.8 | F238 T242 | F238-Y240 PolarHBondContact O-N 3.29Å; Y240-T242 PolarHBondContact O-N 3.12Å; Y240-T242 PolarHBondContact O-OG1 3Å |
| 241 | P | 33.2 | Very low | 30.1 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | | | trans | -65.2 | 97.8 | 178.3 | 23 | -30.6 | 0 | 0 | 0 | 110.1 | N243 | P241-N243 PolarHBondContact O-N 2.97Š|
| 242 | T | 30.8 | Very low | 29.8 | Very low | 133 Ų | 133 | 131.2 Ų | 131.2 | 82% | 0.816 | 75% | 0.749 | S | S | * | * | | | trans | -78 | 56.5 | 176.2 | -29 | 0 | 0 | 0 | 0 | 110.6 | Y240 | Y240-T242 PolarHBondContact O-N 3.12Å; Y240-T242 PolarHBondContact O-OG1 3Å |
| 243 | N | 32.1 | Very low | 29.5 | Very low | 141 Ų | 141 | 134.3 Ų | 134.3 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | | | trans | -147.9 | 53.6 | 173.6 | -83.6 | -35.9 | 0 | 0 | 0 | 111.2 | P241 T245 | P241-N243 PolarHBondContact O-N 2.97Å; N243-T245 PolarHBondContact O-N 2.78Å |
| 244 | G | 30.7 | Very low | 29.2 | Very low | 76 Ų | 76 | 141 Ų | 141 | 78% | 0.784 | 78% | 0.776 | S | S | * | * | | | trans | -87.2 | 69.4 | 149.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | R246 | G244-R246 PolarHBondContact O-N 2.8Š|
| 245 | T | 27.9 | Very low | 29.3 | Very low | 94 Ų | 94 | 143.1 Ų | 143.1 | 58% | 0.577 | 78% | 0.78 | S | S | * | * | | | trans | -57.2 | 107.9 | 172.4 | 19.5 | 0 | 0 | 0 | 0 | 108.1 | N243 F247 | N243-T245 PolarHBondContact O-N 2.78Å; T245-F247 VanDerWaalsContact C-N 3.34Å; T245-F247 WeakPolarHBondContact O-CD2 3.26Å; T245-F247 PolarHBondContact O-N 2.72Å |
| 246 | R | 30.2 | Very low | 29.6 | Very low | 233 Ų | 233 | 147.9 Ų | 147.9 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | | | trans | -62.2 | 97.8 | 169.2 | -74.7 | -178 | -179.2 | 178.8 | 0.6 | 107.3 | G244 C248 | G244-R246 PolarHBondContact O-N 2.8Å; R246-C248 PolarHBondContact O-N 2.8Å |
| 247 | F | 27.2 | Very low | 29.6 | Very low | 191 Ų | 191 | 149.7 Ų | 149.7 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | | | trans | -66.2 | 102.6 | 162.4 | -75.5 | -83 | 0 | 0 | 0 | 107.5 | T245 T249 | T245-F247 VanDerWaalsContact C-N 3.34Å; T245-F247 WeakPolarHBondContact O-CD2 3.26Å; T245-F247 PolarHBondContact O-N 2.72Å; F247-T249 PolarHBondContact O-N 3.13Å |
| 248 | C | 28.9 | Very low | 30 | Very low | 107 Ų | 107 | 144.8 Ų | 144.8 | 72% | 0.723 | 80% | 0.798 | S | S | * | * | | | trans | -66.1 | 116.9 | 169.8 | -66.9 | 0 | 0 | 0 | 0 | 109.2 | R246 G250 | R246-C248 PolarHBondContact O-N 2.8Å; C248-G250 PolarHBondContact O-N 3.05Å |
| 249 | T | 28.7 | Very low | 30.1 | Very low | 128 Ų | 128 | 147.7 Ų | 147.7 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | | | trans | 44.5 | 74.5 | 140.7 | 44.4 | 0 | 0 | 0 | 0 | 116.8 | F247 | F247-T249 PolarHBondContact O-N 3.13Š|
| 250 | G | 29 | Very low | 30.3 | Very low | 77 Ų | 77 | 149.2 Ų | 149.2 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | | | trans | -86 | 113.6 | 147.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | C248 G252 | C248-G250 PolarHBondContact O-N 3.05Å; G250-G252 PolarHBondContact O-N 2.85Å |
| 251 | N | 31.9 | Very low | 30.5 | Very low | 164 Ų | 164 | 144.5 Ų | 144.5 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | | | trans | -58.4 | 128.2 | 174 | -81.3 | -17 | 0 | 0 | 0 | 111 | | |
| 252 | G | 26.6 | Very low | 30.4 | Very low | 66 Ų | 66 | 147 Ų | 147 | 68% | 0.68 | 80% | 0.798 | S | S | * | * | | | trans | 77.2 | 80.3 | 150.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | G250 | G250-G252 PolarHBondContact O-N 2.85Š|
| 253 | D | 29.4 | Very low | 30.3 | Very low | 157 Ų | 157 | 146.6 Ų | 146.6 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | | | trans | -155.4 | 124.4 | 133.1 | -97.7 | -29.6 | 0 | 0 | 0 | 110.9 | V255 | D253-V255 VanDerWaalsContact C-N 3.33Å; D253-V255 PolarHBondContact O-N 2.63Å |
| 254 | R | 27.3 | Very low | 30.1 | Very low | 254 Ų | 254 | 148.8 Ų | 148.8 | 96% | 0.958 | 80% | 0.799 | S | S | * | * | | | trans | -70.4 | 83.5 | 179.8 | -72.3 | 173.8 | 166.8 | 180 | -3.8 | 109.7 | | |
| 255 | V | 34.1 | Very low | 30.1 | Very low | 130 Ų | 130 | 152.7 Ų | 152.7 | 79% | 0.788 | 80% | 0.802 | S | S | * | * | | | trans | -89.1 | 117 | 170.7 | -169.9 | 0 | 0 | 0 | 0 | 109 | D253 M257 | D253-V255 VanDerWaalsContact C-N 3.33Å; D253-V255 PolarHBondContact O-N 2.63Å; V255-M257 PolarHBondContact O-N 3.27Å |
| 256 | K | 33.5 | Very low | 30.1 | Very low | 198 Ų | 198 | 155.9 Ų | 155.9 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | | | trans | -57.4 | 129.8 | 180 | -68.3 | 174.4 | 178.1 | 175.9 | 0 | 110.3 | A258 | K256-A258 PolarHBondContact O-N 2.81Š|
| 257 | M | 29.6 | Very low | 30.1 | Very low | 189 Ų | 189 | 153 Ų | 153 | 93% | 0.931 | 81% | 0.811 | S | S | * | * | | | trans | -56.5 | 101 | 174 | -64.9 | -92.6 | -159.9 | 0 | 0 | 110.8 | V255 R259 | V255-M257 PolarHBondContact O-N 3.27Å; M257-R259 PolarHBondContact O-N 2.87Å |
| 258 | A | 33.7 | Very low | 30.3 | Very low | 84 Ų | 84 | 150 Ų | 150 | 69% | 0.694 | 81% | 0.81 | S | S | * | * | | | trans | -80.1 | 113.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | K256 D260 | K256-A258 PolarHBondContact O-N 2.81Å; A258-D260 VanDerWaalsContact C-N 3.29Å; A258-D260 PolarHBondContact O-N 3.16Å |
| 259 | R | 31.2 | Very low | 30.3 | Very low | 236 Ų | 236 | 152.4 Ų | 152.4 | 89% | 0.891 | 81% | 0.814 | S | S | * | * | | | trans | -69.4 | 82.6 | 174.6 | -78.2 | 177.4 | 167.1 | 149.5 | -5.4 | 109.5 | M257 S261 | M257-R259 PolarHBondContact O-N 2.87Å; R259-S261 PolarHBondContact O-N 3.23Å |
| 260 | D | 31.9 | Very low | 30.3 | Very low | 143 Ų | 143 | 155.7 Ų | 155.7 | 77% | 0.765 | 81% | 0.814 | S | S | * | * | | | trans | -86.6 | 88.8 | 165.6 | -73.9 | -8.7 | 0 | 0 | 0 | 108.3 | A258 K262 | A258-D260 VanDerWaalsContact C-N 3.29Å; A258-D260 PolarHBondContact O-N 3.16Å; D260-K262 PolarHBondContact O-N 3.29Å |
| 261 | S | 32.2 | Very low | 30.5 | Very low | 106 Ų | 106 | 155.7 Ų | 155.7 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | | | trans | -67.2 | 80.6 | 171.8 | 55.8 | 0 | 0 | 0 | 0 | 109.8 | R259 T263 | R259-S261 PolarHBondContact O-N 3.23Å; S261-T263 VanDerWaalsContact C-N 3.32Å; S261-T263 PolarHBondContact O-N 3.41Å |
| 262 | K | 32 | Very low | 30.5 | Very low | 179 Ų | 179 | 152.7 Ų | 152.7 | 78% | 0.778 | 79% | 0.785 | S | S | * | * | | | trans | -73.4 | 93.7 | 163.5 | -78.9 | -176.4 | 177.5 | 179 | 0 | 107.9 | D260 F264 | D260-K262 PolarHBondContact O-N 3.29Å; K262-F264 WeakPolarHBondContact O-CD2 3.49Å; K262-F264 PolarHBondContact O-N 3.01Å; K262-F264 VanDerWaalsContact O-N 3.12Å |
| 263 | T | 28 | Very low | 30.6 | Very low | 125 Ų | 125 | 159.8 Ų | 159.8 | 77% | 0.767 | 79% | 0.791 | S | S | * | * | | | trans | -54.8 | 110.4 | 161.7 | 25.1 | 0 | 0 | 0 | 0 | 108.2 | S261 N265 | S261-T263 VanDerWaalsContact C-N 3.32Å; S261-T263 PolarHBondContact O-N 3.41Å; T263-N265 PolarHBondContact O-N 2.98Å |
| 264 | F | 28 | Very low | 30.5 | Very low | 188 Ų | 188 | 159.5 Ų | 159.5 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | | | trans | -70.1 | 112.4 | 168.6 | -74 | -92.2 | 0 | 0 | 0 | 107.4 | K262 L266 | K262-F264 WeakPolarHBondContact O-CD2 3.49Å; K262-F264 PolarHBondContact O-N 3.01Å; K262-F264 VanDerWaalsContact O-N 3.12Å; F264-L266 PolarHBondContact O-N 3.41Å |
| 265 | N | 30 | Very low | 30.4 | Very low | 158 Ų | 158 | 152.8 Ų | 152.8 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | | | trans | -64.2 | 103.3 | 165.3 | -75 | -21.8 | 0 | 0 | 0 | 106.9 | T263 E267 | T263-N265 PolarHBondContact O-N 2.98Å; N265-E267 PolarHBondContact O-N 2.83Å |
| 266 | L | 29.3 | Very low | 29.9 | Very low | 160 Ų | 160 | 151.8 Ų | 151.8 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | | | trans | -68 | 102 | 169.6 | -72.7 | 165.1 | 0 | 0 | 0 | 106.8 | F264 | F264-L266 PolarHBondContact O-N 3.41Š|
| 267 | E | 29.2 | Very low | 29.6 | Very low | 174 Ų | 174 | 149.2 Ų | 149.2 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | | | trans | -58.6 | 134.7 | 168.3 | -115 | 179.4 | 168.5 | 0 | 0 | 108.5 | N265 I269 | N265-E267 PolarHBondContact O-N 2.83Å; E267-I269 PolarHBondContact O-N 2.65Å |
| 268 | P | 31 | Very low | 29.3 | Very low | 126 Ų | 126 | 146 Ų | 146 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | | | trans | -60.1 | 107.5 | -178.9 | 22 | -30.9 | 0 | 0 | 0 | 109.6 | Y270 | P268-Y270 PolarHBondContact O-N 2.85Å; P268-Y270 VanDerWaalsContact O-N 3.15Å |
| 269 | I | 30.6 | Very low | 29 | Very low | 158 Ų | 158 | 144.4 Ų | 144.4 | 81% | 0.81 | 74% | 0.743 | S | S | * | * | | | trans | -60.5 | 118.2 | 168.7 | -60.6 | 171.7 | 0 | 0 | 0 | 105.9 | E267 D271 | E267-I269 PolarHBondContact O-N 2.65Å; I269-D271 PolarHBondContact O-N 3.4Å |
| 270 | Y | 28.6 | Very low | 28.7 | Very low | 198 Ų | 198 | 142.7 Ų | 142.7 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | | | trans | -38.4 | 107 | 172.1 | -169.3 | -95.6 | 0 | 0 | 0 | 110 | P268 P272 | P268-Y270 PolarHBondContact O-N 2.85Å; P268-Y270 VanDerWaalsContact O-N 3.15Å; Y270-P272 WeakPolarHBondContact O-CD 3.44Å |
| 271 | D | 32.7 | Very low | 28.5 | Very low | 76 Ų | 76 | 141.9 Ų | 141.9 | 41% | 0.406 | 74% | 0.743 | S | S | . | * | | | trans | -79.7 | 110.4 | 176.4 | -172.6 | -6.7 | 0 | 0 | 0 | 107.3 | I269 R273 Q274 | I269-D271 PolarHBondContact O-N 3.4Å; D271-R273 PolarHBondContact O-N 2.84Å; D271-R273 VanDerWaalsContact OD1-CB 3.31Å; D271-R273 WeakPolarHBondContact OD1-CB 3.18Å; D271-R273 VanDerWaalsContact OD1-CD 3.29Å; D271-R273 WeakPolarHBondContact OD1-CD 3.47Å; D271-R273 WeakPolarHBondContact OD1-CG 3.43Å; D271-R273 PolarHBondContact OD1-N 3.42Å; D271-R273 VanDerWaalsContact OD1-N 3.15Å; D271-R273 IonicContact OD1-NE 3.58Å; D271-R273 WeakPolarHBondContact OD2-CD 3.1Å; D271-Q274 PolarHBondContact O-N 3.4Å |
| 272 | P | 32.6 | Very low | 28.2 | Very low | 102 Ų | 102 | 142.7 Ų | 142.7 | 66% | 0.662 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -0.2 | 179.9 | 25.7 | -33.5 | 0 | 0 | 0 | 113.5 | Y270 Q274 | Y270-P272 WeakPolarHBondContact O-CD 3.44Å; P272-Q274 VanDerWaalsContact C-N 3.29Å; P272-Q274 PolarHBondContact O-N 3.13Å |
| 273 | R | 28.2 | Very low | 27.9 | Very low | 214 Ų | 214 | 139.9 Ų | 139.9 | 81% | 0.808 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -8.8 | 173.5 | -63.3 | 171.9 | -161.5 | -176 | 3.3 | 114.5 | D271 V275 | D271-R273 PolarHBondContact O-N 2.84Å; D271-R273 VanDerWaalsContact OD1-CB 3.31Å; D271-R273 WeakPolarHBondContact OD1-CB 3.18Å; D271-R273 VanDerWaalsContact OD1-CD 3.29Å; D271-R273 WeakPolarHBondContact OD1-CD 3.47Å; D271-R273 WeakPolarHBondContact OD1-CG 3.43Å; D271-R273 PolarHBondContact OD1-N 3.42Å; D271-R273 VanDerWaalsContact OD1-N 3.15Å; D271-R273 IonicContact OD1-NE 3.58Å; D271-R273 WeakPolarHBondContact OD2-CD 3.1Å; R273-V275 PolarHBondContact O-N 2.76Å |
| 274 | Q | 26.4 | Very low | 27.8 | Very low | 151 Ų | 151 | 139.9 Ų | 139.9 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | | | trans | -94.3 | 62.7 | 175.9 | -67.3 | -169.4 | 5.5 | 0 | 0 | 112.3 | D271 P272 V276 | D271-Q274 PolarHBondContact O-N 3.4Å; P272-Q274 VanDerWaalsContact C-N 3.29Å; P272-Q274 PolarHBondContact O-N 3.13Å; Q274-V276 VanDerWaalsContact C-N 3.32Å; Q274-V276 PolarHBondContact O-N 3.08Å |
| 275 | V | 25.6 | Very low | 27.7 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | | | trans | -82.1 | 89.5 | 157.4 | -173.8 | 0 | 0 | 0 | 0 | 106.5 | R273 I277 | R273-V275 PolarHBondContact O-N 2.76Å; V275-I277 VanDerWaalsContact C-N 3.33Å; V275-I277 HydrophobicContact CG1-CG1 3.87Å; V275-I277 PolarHBondContact O-N 3.33Å |
| 276 | V | 24.7 | Very low | 27.6 | Very low | 109 Ų | 109 | 139.9 Ų | 139.9 | 66% | 0.661 | 74% | 0.741 | S | S | * | * | | | trans | -72.3 | 92 | 172.3 | -174.1 | 0 | 0 | 0 | 0 | 107.5 | Q274 T278 | Q274-V276 VanDerWaalsContact C-N 3.32Å; Q274-V276 PolarHBondContact O-N 3.08Å; V276-T278 VanDerWaalsContact C-N 3.3Å; V276-T278 HydrophobicContact CG1-CG2 3.94Å; V276-T278 PolarHBondContact O-N 3.22Å |
| 277 | I | 26.1 | Very low | 27.4 | Very low | 145 Ų | 145 | 136.8 Ų | 136.8 | 74% | 0.744 | 74% | 0.739 | S | S | * | * | | | trans | -74.5 | 91.1 | 171.5 | -55 | 177 | 0 | 0 | 0 | 106.6 | V275 G279 | V275-I277 VanDerWaalsContact C-N 3.33Å; V275-I277 HydrophobicContact CG1-CG1 3.87Å; V275-I277 PolarHBondContact O-N 3.33Å; I277-G279 PolarHBondContact O-N 3.21Å |
| 278 | T | 23.8 | Very low | 27.4 | Very low | 120 Ų | 120 | 135 Ų | 135 | 74% | 0.736 | 74% | 0.739 | S | S | * | * | | | trans | -72.5 | 76.9 | 169.5 | 42.8 | 0 | 0 | 0 | 0 | 109 | V276 K280 | V276-T278 VanDerWaalsContact C-N 3.3Å; V276-T278 HydrophobicContact CG1-CG2 3.94Å; V276-T278 PolarHBondContact O-N 3.22Å; T278-K280 VanDerWaalsContact C-N 3.33Å; T278-K280 PolarHBondContact O-N 2.85Å |
| 279 | G | 26.1 | Very low | 27.2 | Very low | 51 Ų | 51 | 133.6 Ų | 133.6 | 53% | 0.526 | 73% | 0.733 | S | S | . | * | | | trans | -67.2 | 91.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | I277 T281 | I277-G279 PolarHBondContact O-N 3.21Å; G279-T281 PolarHBondContact O-N 2.82Å |
| 280 | K | 26.3 | Very low | 27.2 | Very low | 200 Ų | 200 | 133.1 Ų | 133.1 | 87% | 0.87 | 73% | 0.731 | S | S | * | * | | | trans | -68.2 | 72.5 | 161.9 | -80.2 | -176.6 | 176.8 | 177.2 | 0 | 108.5 | T278 T282 | T278-K280 VanDerWaalsContact C-N 3.33Å; T278-K280 PolarHBondContact O-N 2.85Å; K280-T282 PolarHBondContact O-N 2.92Å; K280-T282 VanDerWaalsContact O-N 3.16Å |
| 281 | T | 28.1 | Very low | 27.2 | Very low | 127 Ų | 127 | 130.8 Ų | 130.8 | 78% | 0.779 | 73% | 0.732 | S | S | * | * | | | trans | -80 | 92.1 | 166.4 | 48 | 0 | 0 | 0 | 0 | 107.1 | G279 | G279-T281 PolarHBondContact O-N 2.82Š|
| 282 | T | 24.1 | Very low | 27.1 | Very low | 122 Ų | 122 | 137.5 Ų | 137.5 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | | | trans | -56.2 | 127.1 | 163.3 | 17.9 | 0 | 0 | 0 | 0 | 108.1 | K280 V284 | K280-T282 PolarHBondContact O-N 2.92Å; K280-T282 VanDerWaalsContact O-N 3.16Å; T282-V284 PolarHBondContact O-N 3.13Å |
| 283 | P | 27.1 | Very low | 26.9 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | | | trans | -62.9 | 109 | -179.3 | 22.7 | -31.1 | 0 | 0 | 0 | 109.3 | K285 | P283-K285 PolarHBondContact O-N 3Š|
| 284 | V | 24.9 | Very low | 27.1 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | | | trans | -66.6 | 103.2 | 173.3 | 179.3 | 0 | 0 | 0 | 0 | 107.2 | T282 L286 | T282-V284 PolarHBondContact O-N 3.13Å; V284-L286 HydrophobicContact CG1-CD2 4.41Å; V284-L286 PolarHBondContact O-N 3.41Å |
| 285 | K | 26.7 | Very low | 27.2 | Very low | 201 Ų | 201 | 127.2 Ų | 127.2 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | | | trans | -64.5 | 99 | 168.3 | -85.2 | -178.2 | 175.5 | 176.6 | 0 | 108.2 | P283 A287 | P283-K285 PolarHBondContact O-N 3Å; K285-A287 PolarHBondContact O-N 3.3Å; K285-A287 VanDerWaalsContact O-N 3.12Å |
| 286 | L | 27.1 | Very low | 27.3 | Very low | 146 Ų | 146 | 127.2 Ų | 127.2 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | | | trans | -70.4 | 103.1 | 168 | -69.7 | 168.2 | 0 | 0 | 0 | 107.9 | V284 T288 | V284-L286 HydrophobicContact CG1-CD2 4.41Å; V284-L286 PolarHBondContact O-N 3.41Å; L286-T288 PolarHBondContact O-N 2.85Å; L286-T288 VanDerWaalsContact O-N 3.1Å |
| 287 | A | 26.1 | Very low | 27.6 | Very low | 95 Ų | 95 | 129.7 Ų | 129.7 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | | | trans | -69.5 | 101.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | K285 S289 | K285-A287 PolarHBondContact O-N 3.3Å; K285-A287 VanDerWaalsContact O-N 3.12Å; A287-S289 PolarHBondContact O-N 2.84Å |
| 288 | T | 28.5 | Very low | 27.9 | Very low | 135 Ų | 135 | 129.9 Ų | 129.9 | 83% | 0.828 | 77% | 0.767 | S | S | * | * | | | trans | -69.8 | 95.5 | 168.1 | 10.4 | 0 | 0 | 0 | 0 | 108.2 | L286 L290 | L286-T288 PolarHBondContact O-N 2.85Å; L286-T288 VanDerWaalsContact O-N 3.1Å; T288-L290 VanDerWaalsContact C-N 3.3Å; T288-L290 PolarHBondContact O-N 2.74Å |
| 289 | S | 27.2 | Very low | 28.3 | Very low | 97 Ų | 97 | 130.3 Ų | 130.3 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | | | trans | -68.6 | 92.4 | 163.2 | 48.9 | 0 | 0 | 0 | 0 | 108.2 | A287 N291 | A287-S289 PolarHBondContact O-N 2.84Å; S289-N291 PolarHBondContact O-N 2.87Å |
| 290 | L | 31.1 | Very low | 28.6 | Very low | 149 Ų | 149 | 133.9 Ų | 133.9 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | | | trans | -71.8 | 84.7 | 168.8 | -164 | 86.6 | 0 | 0 | 0 | 107.7 | T288 R292 | T288-L290 VanDerWaalsContact C-N 3.3Å; T288-L290 PolarHBondContact O-N 2.74Å; L290-R292 PolarHBondContact O-N 2.7Å |
| 291 | N | 28.4 | Very low | 28.7 | Very low | 149 Ų | 149 | 129.4 Ų | 129.4 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | | | trans | -68 | 75.9 | 166.4 | -78 | -20.2 | 0 | 0 | 0 | 108.6 | S289 A293 | S289-N291 PolarHBondContact O-N 2.87Å; N291-A293 VanDerWaalsContact C-N 3.32Å; N291-A293 PolarHBondContact O-N 3.14Å |
| 292 | R | 29.5 | Very low | 28.7 | Very low | 217 Ų | 217 | 129.1 Ų | 129.1 | 82% | 0.819 | 78% | 0.78 | S | S | * | * | | | trans | -74.5 | 94.9 | 165.6 | -165.7 | 175.8 | -154.8 | 150.8 | 4.5 | 106.4 | L290 A294 | L290-R292 PolarHBondContact O-N 2.7Å; R292-A294 PolarHBondContact O-N 3.43Å |
| 293 | A | 29.5 | Very low | 29 | Very low | 94 Ų | 94 | 126.8 Ų | 126.8 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | | | trans | -51.9 | 108.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | N291 G295 | N291-A293 VanDerWaalsContact C-N 3.32Å; N291-A293 PolarHBondContact O-N 3.14Å; A293-G295 VanDerWaalsContact C-N 3.3Å; A293-G295 PolarHBondContact O-N 2.93Å |
| 294 | A | 31.8 | Very low | 29.1 | Very low | 96 Ų | 96 | 129.3 Ų | 129.3 | 79% | 0.793 | 78% | 0.781 | S | S | * | * | | | trans | -69.8 | 91.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | R292 | R292-A294 PolarHBondContact O-N 3.43Š|
| 295 | G | 28.4 | Very low | 29.3 | Very low | 61 Ų | 61 | 130.9 Ų | 130.9 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | | | trans | -65.8 | 126.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109 | A293 D297 | A293-G295 VanDerWaalsContact C-N 3.3Å; A293-G295 PolarHBondContact O-N 2.93Å; G295-D297 PolarHBondContact O-N 3.11Å |
| 296 | P | 27.7 | Very low | 29.4 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | trans | -86.4 | 90.2 | -175.9 | 33.5 | -32.2 | 0 | 0 | 0 | 110.5 | N298 | P296-N298 PolarHBondContact O-N 2.86Š|
| 297 | D | 31.9 | Very low | 29.4 | Very low | 162 Ų | 162 | 128.1 Ų | 128.1 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | | | trans | -97.8 | 90.5 | 167.4 | -77.3 | -32.4 | 0 | 0 | 0 | 110 | G295 V299 | G295-D297 PolarHBondContact O-N 3.11Å; D297-V299 PolarHBondContact O-N 2.89Å |
| 298 | N | 31.2 | Very low | 29.5 | Very low | 149 Ų | 149 | 133.2 Ų | 133.2 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | -55.5 | 105.1 | 162.1 | -77 | -56.3 | 0 | 0 | 0 | 110.6 | P296 | P296-N298 PolarHBondContact O-N 2.86Š|
| 299 | V | 33 | Very low | 29.7 | Very low | 128 Ų | 128 | 133.6 Ų | 133.6 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | | | trans | -141.6 | 106.4 | 148.5 | -169.5 | 0 | 0 | 0 | 0 | 109.5 | D297 | D297-V299 PolarHBondContact O-N 2.89Š|
| 300 | P | 31.3 | Very low | 29.8 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | -85.7 | 121.5 | 166.8 | 31.6 | -25.9 | 0 | 0 | 0 | 109.1 | | |
| 301 | S | 30.1 | Very low | 29.7 | Very low | 107 Ų | 107 | 132.5 Ų | 132.5 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | | | trans | -154.6 | 105.8 | 155.8 | 179.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 302 | S | 27.8 | Very low | 29.6 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | | | trans | -38.4 | 129.3 | 164.8 | 52 | 0 | 0 | 0 | 0 | 113.2 | | |
| 303 | G | 30 | Very low | 29.7 | Very low | 73 Ų | 73 | 133.3 Ų | 133.3 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | | | trans | -173.4 | 83.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 304 | H | 28 | Very low | 29.8 | Very low | 175 Ų | 175 | 135.1 Ų | 135.1 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | | | trans | 77.1 | 102.8 | 153.1 | -124.6 | 51.3 | 0 | 0 | 0 | 118.8 | Q306 | H304-Q306 PolarHBondContact O-N 2.8Š|
| 305 | L | 29.8 | Very low | 29.6 | Very low | 156 Ų | 156 | 133.8 Ų | 133.8 | 82% | 0.817 | 77% | 0.774 | S | S | * | * | | | trans | -58 | 109.2 | 159.9 | -69.8 | 159 | 0 | 0 | 0 | 109.9 | | |
| 306 | Q | 29.8 | Very low | 29.8 | Very low | 174 Ų | 174 | 141.8 Ų | 141.8 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | | | trans | -127.6 | 78.4 | 155.5 | -124.2 | 164.7 | 13.9 | 0 | 0 | 108.3 | H304 R308 | H304-Q306 PolarHBondContact O-N 2.8Å; Q306-R308 VanDerWaalsContact C-N 3.34Å; Q306-R308 PolarHBondContact O-N 3.17Å |
| 307 | T | 27.3 | Very low | 29.9 | Very low | 115 Ų | 115 | 148.1 Ų | 148.1 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | | | trans | -67.7 | 90.2 | 164.9 | 34.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 308 | R | 27.6 | Very low | 30.1 | Very low | 202 Ų | 202 | 148.2 Ų | 148.2 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | | | trans | -117.3 | 86.8 | 155.6 | -157.5 | 178.2 | -175 | 179.9 | 4.7 | 107.6 | Q306 D310 | Q306-R308 VanDerWaalsContact C-N 3.34Å; Q306-R308 PolarHBondContact O-N 3.17Å; R308-D310 IonicContact CZ-OD2 3.85Å; R308-D310 IonicContact NE-OD1 3.75Å; R308-D310 IonicContact NE-OD2 3.36Å; R308-D310 PolarHBondContact NE-OD2 3.32Å; R308-D310 PolarHBondContact O-N 2.98Å; R308-D310 VanDerWaalsContact O-N 3.11Å |
| 309 | I | 32.5 | Very low | 30.2 | Very low | 144 Ų | 144 | 149 Ų | 149 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | | | trans | -77.5 | 84.3 | 169.8 | -58.8 | 166.6 | 0 | 0 | 0 | 104.7 | S311 | I309-S311 PolarHBondContact O-N 2.97Š|
| 310 | D | 30.2 | Very low | 30.3 | Very low | 122 Ų | 122 | 150.8 Ų | 150.8 | 65% | 0.652 | 79% | 0.789 | S | S | * | * | | | trans | -81.5 | 98.5 | 161.2 | -73.8 | -26 | 0 | 0 | 0 | 106 | R308 E312 | R308-D310 IonicContact CZ-OD2 3.85Å; R308-D310 IonicContact NE-OD1 3.75Å; R308-D310 IonicContact NE-OD2 3.36Å; R308-D310 PolarHBondContact NE-OD2 3.32Å; R308-D310 PolarHBondContact O-N 2.98Å; R308-D310 VanDerWaalsContact O-N 3.11Å; D310-E312 PolarHBondContact O-N 3.21Å |
| 311 | S | 27.5 | Very low | 30.1 | Very low | 101 Ų | 101 | 150.9 Ų | 150.9 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | | | trans | -71.2 | 91.5 | 177.6 | 51.1 | 0 | 0 | 0 | 0 | 110.8 | I309 | I309-S311 PolarHBondContact O-N 2.97Š|
| 312 | E | 27.6 | Very low | 30.3 | Very low | 186 Ų | 186 | 152.7 Ų | 152.7 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | | | trans | -135.6 | 65.3 | 156.1 | -73.9 | -166.7 | 170 | 0 | 0 | 108.8 | D310 | D310-E312 PolarHBondContact O-N 3.21Š|
| 313 | Q | 31.8 | Very low | 30.3 | Very low | 197 Ų | 197 | 154.2 Ų | 154.2 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | | | trans | -106.6 | 52.6 | 170 | -153.1 | 176.8 | 22 | 0 | 0 | 109.4 | | |
| 314 | T | 30.9 | Very low | 30.2 | Very low | 132 Ų | 132 | 157 Ų | 157 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | | | trans | -102.5 | 96 | 169.1 | 41.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 315 | G | 27.8 | Very low | 30.1 | Very low | 68 Ų | 68 | 159.9 Ų | 159.9 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | | | trans | 70.1 | 77.2 | 137.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 316 | R | 31.1 | Very low | 29.9 | Very low | 228 Ų | 228 | 158.7 Ų | 158.7 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | | | trans | -133.5 | 81.9 | 135.3 | -70.6 | -162.4 | 178 | -176.8 | 0.7 | 109.2 | E318 | R316-E318 PolarHBondContact O-N 2.87Š|
| 317 | R | 31.7 | Very low | 29.9 | Very low | 246 Ų | 246 | 154.9 Ų | 154.9 | 93% | 0.928 | 77% | 0.769 | S | S | * | * | | | trans | -62.5 | 79.9 | 151.2 | -83.8 | 177.3 | 167.9 | 164.8 | -3.5 | 106 | E319 | R317-E319 VanDerWaalsContact C-N 3.35Å; R317-E319 PolarHBondContact O-N 3.03Å; R317-E319 VanDerWaalsContact O-N 3.08Å |
| 318 | E | 34.8 | Very low | 30 | Very low | 164 Ų | 164 | 156.3 Ų | 156.3 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | | | trans | -67.7 | 108 | 160.9 | -95.4 | 173.9 | 177.8 | 0 | 0 | 106.1 | R316 Q320 | R316-E318 PolarHBondContact O-N 2.87Å; E318-Q320 VanDerWaalsContact C-N 3.35Å; E318-Q320 PolarHBondContact O-N 2.68Å |
| 319 | E | 34.6 | Very low | 30.1 | Very low | 164 Ų | 164 | 151.3 Ų | 151.3 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | | | trans | -45.7 | 100 | 172.8 | -66.3 | 174.3 | 160.8 | 0 | 0 | 108.5 | R317 N321 | R317-E319 VanDerWaalsContact C-N 3.35Å; R317-E319 PolarHBondContact O-N 3.03Å; R317-E319 VanDerWaalsContact O-N 3.08Å; E319-N321 PolarHBondContact O-N 2.77Å |
| 320 | Q | 33.5 | Very low | 29.8 | Very low | 167 Ų | 167 | 148.3 Ų | 148.3 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | | | trans | -72.2 | 56.3 | 166.7 | -140.9 | -179.9 | 20 | 0 | 0 | 108.1 | E318 Q322 | E318-Q320 VanDerWaalsContact C-N 3.35Å; E318-Q320 PolarHBondContact O-N 2.68Å; Q320-Q322 HydrophobicContact CG-CG 4.43Å; Q320-Q322 PolarHBondContact O-N 2.99Å |
| 321 | N | 28.8 | Very low | 29.7 | Very low | 128 Ų | 128 | 146.7 Ų | 146.7 | 68% | 0.684 | 76% | 0.755 | S | S | * | * | | | trans | -71 | 76.1 | 163 | -87.7 | -32.8 | 0 | 0 | 0 | 106.2 | E319 N323 | E319-N321 PolarHBondContact O-N 2.77Å; N321-N323 PolarHBondContact O-N 3.11Å |
| 322 | Q | 33.7 | Very low | 29.8 | Very low | 144 Ų | 144 | 150.1 Ų | 150.1 | 67% | 0.673 | 76% | 0.758 | S | S | * | * | | | trans | -55.8 | 109 | 164 | -71.2 | -176.4 | -0.3 | 0 | 0 | 106.3 | Q320 I324 | Q320-Q322 HydrophobicContact CG-CG 4.43Å; Q320-Q322 PolarHBondContact O-N 2.99Å; Q322-I324 WeakPolarHBondContact O-CG1 3.31Å; Q322-I324 PolarHBondContact O-N 3.1Å |
| 323 | N | 26.7 | Very low | 30 | Very low | 152 Ų | 152 | 147.1 Ų | 147.1 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | | | trans | -52.2 | 90.1 | 166.3 | -88.2 | -46.3 | 0 | 0 | 0 | 108.5 | N321 R325 | N321-N323 PolarHBondContact O-N 3.11Å; N323-R325 PolarHBondContact O-N 2.92Å |
| 324 | I | 28.6 | Very low | 29.7 | Very low | 133 Ų | 133 | 145.8 Ų | 145.8 | 68% | 0.682 | 73% | 0.734 | S | S | * | * | | | trans | -68.9 | 93 | 169.3 | -55.8 | 178.7 | 0 | 0 | 0 | 105 | Q322 I326 | Q322-I324 WeakPolarHBondContact O-CG1 3.31Å; Q322-I324 PolarHBondContact O-N 3.1Å; I324-I326 HydrophobicContact CG2-CD1 4.42Å; I324-I326 HydrophobicContact CG2-CG1 3.69Å; I324-I326 PolarHBondContact O-N 3.08Å |
| 325 | R | 26.5 | Very low | 29.5 | Very low | 234 Ų | 234 | 147 Ų | 147 | 88% | 0.883 | 73% | 0.731 | S | S | * | * | | | trans | -67.4 | 87.9 | 168.1 | -72.4 | -175.5 | -178 | -166.5 | 0.8 | 107.6 | N323 A327 | N323-R325 PolarHBondContact O-N 2.92Å; R325-A327 PolarHBondContact O-N 2.94Å; R325-A327 VanDerWaalsContact O-N 3.07Å |
| 326 | I | 25.3 | Very low | 29.3 | Very low | 132 Ų | 132 | 151.5 Ų | 151.5 | 68% | 0.677 | 74% | 0.735 | S | S | * | * | | | trans | -72.8 | 99.8 | 169.6 | -55.6 | 177 | 0 | 0 | 0 | 106.3 | I324 L328 | I324-I326 HydrophobicContact CG2-CD1 4.42Å; I324-I326 HydrophobicContact CG2-CG1 3.69Å; I324-I326 PolarHBondContact O-N 3.08Å; I326-L328 VanDerWaalsContact C-N 3.32Å; I326-L328 PolarHBondContact O-N 2.8Å |
| 327 | A | 29.1 | Very low | 29 | Very low | 94 Ų | 94 | 145.8 Ų | 145.8 | 78% | 0.777 | 73% | 0.729 | S | S | * | * | | | trans | -67.9 | 94.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108 | R325 | R325-A327 PolarHBondContact O-N 2.94Å; R325-A327 VanDerWaalsContact O-N 3.07Å |
| 328 | L | 29.2 | Very low | 28.6 | Very low | 145 Ų | 145 | 139.1 Ų | 139.1 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | | | trans | -59.5 | 127.8 | 169 | -82.9 | 154.4 | 0 | 0 | 0 | 108.4 | I326 S330 | I326-L328 VanDerWaalsContact C-N 3.32Å; I326-L328 PolarHBondContact O-N 2.8Å; L328-S330 PolarHBondContact O-N 3.07Å |
| 329 | P | 30.9 | Very low | 28.2 | Very low | 96 Ų | 96 | 136.9 Ų | 136.9 | 62% | 0.623 | 71% | 0.713 | S | S | * | * | | | trans | -58.7 | 114.5 | 175.1 | -20.7 | 31.5 | 0 | 0 | 0 | 109.4 | S331 | P329-S331 PolarHBondContact O-N 3.32Š|
| 330 | S | 26.4 | Very low | 27.8 | Very low | 81 Ų | 81 | 138 Ų | 138 | 57% | 0.566 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -63.2 | -8 | -176.7 | 58 | 0 | 0 | 0 | 0 | 114 | L328 K332 I333 | L328-S330 PolarHBondContact O-N 3.07Å; S330-K332 VanDerWaalsContact C-N 3.32Å; S330-K332 PolarHBondContact O-N 2.73Å; S330-I333 PolarHBondContact O-N 2.84Å |
| 331 | S | 27.7 | Very low | 27.4 | Very low | 88 Ų | 88 | 135.7 Ų | 135.7 | 62% | 0.615 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -66.7 | -29.1 | -178.7 | 55.8 | 0 | 0 | 0 | 0 | 113.5 | P329 | P329-S331 PolarHBondContact O-N 3.32Š|
| 332 | K | 29.6 | Very low | 27.2 | Very low | 173 Ų | 173 | 135.3 Ų | 135.3 | 75% | 0.752 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -77.7 | -21.5 | 178.7 | -88 | -173.9 | 174.7 | -177.2 | 0 | 114.5 | S330 Y334 | S330-K332 VanDerWaalsContact C-N 3.32Å; S330-K332 PolarHBondContact O-N 2.73Å; K332-Y334 VanDerWaalsContact C-N 3.35Å |
| 333 | I | 31 | Very low | 26.7 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -31 | 179.3 | -63.1 | 173.1 | 0 | 0 | 0 | 110.6 | S330 E335 | S330-I333 PolarHBondContact O-N 2.84Å; I333-E335 VanDerWaalsContact C-N 3.34Å; I333-E335 PolarHBondContact O-N 3.33Å |
| 334 | Y | 25.1 | Very low | 26.6 | Very low | 168 Ų | 168 | 139.5 Ų | 139.5 | 66% | 0.659 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -75 | -18.5 | -177 | -86 | -83.5 | 0 | 0 | 0 | 114.6 | K332 | K332-Y334 VanDerWaalsContact C-N 3.35Š|
| 335 | E | 26.8 | Very low | 26.4 | Very low | 158 Ų | 158 | 141.5 Ų | 141.5 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -81.4 | -21.8 | -176.5 | -157 | 167.5 | -164 | 0 | 0 | 113.2 | I333 | I333-E335 VanDerWaalsContact C-N 3.34Å; I333-E335 PolarHBondContact O-N 3.33Å |
| 336 | M | 23.5 | Very low | 26.3 | Very low | 163 Ų | 163 | 141.8 Ų | 141.8 | 80% | 0.803 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -79.6 | -13.5 | 178 | -85.5 | -179.5 | 45.4 | 0 | 0 | 114.6 | | |
| 337 | C | 25.2 | Very low | 26.3 | Very low | 107 Ų | 107 | 140.8 Ų | 140.8 | 72% | 0.723 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -95 | -1.5 | -173.2 | -66.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 338 | T | 24 | Very low | 26.1 | Very low | 107 Ų | 107 | 140.4 Ų | 140.4 | 66% | 0.656 | 72% | 0.719 | S | S | * | * | | | trans | -112.3 | 24 | -174 | 54.4 | 0 | 0 | 0 | 0 | 114.8 | K340 | T338-K340 PolarHBondContact O-N 2.8Š|
| 339 | T | 25.9 | Very low | 26 | Very low | 116 Ų | 116 | 139 Ų | 139 | 71% | 0.712 | 72% | 0.716 | S | S | * | * | | | trans | -66 | 88.3 | 160.5 | 40.6 | 0 | 0 | 0 | 0 | 108.2 | I341 | T339-I341 VanDerWaalsContact C-N 3.27Å; T339-I341 PolarHBondContact O-N 3.4Å |
| 340 | K | 26.1 | Very low | 25.8 | Very low | 189 Ų | 189 | 141 Ų | 141 | 82% | 0.822 | 72% | 0.722 | S | S | * | * | | | trans | -55.4 | 97.8 | 163.1 | -87.1 | -179.8 | 174.6 | 176.1 | 0 | 106.3 | T338 V342 | T338-K340 PolarHBondContact O-N 2.8Å; K340-V342 VanDerWaalsContact C-N 3.25Å; K340-V342 PolarHBondContact O-N 2.78Å |
| 341 | I | 26.3 | Very low | 25.9 | Very low | 117 Ų | 117 | 143.2 Ų | 143.2 | 60% | 0.6 | 73% | 0.732 | S | S | * | * | | | trans | -65.7 | 95.7 | 168.6 | -56.4 | 174.2 | 0 | 0 | 0 | 105.5 | T339 Y343 | T339-I341 VanDerWaalsContact C-N 3.27Å; T339-I341 PolarHBondContact O-N 3.4Å; I341-Y343 VanDerWaalsContact C-N 3.31Å; I341-Y343 HydrophobicContact CB-CD2 4.26Å; I341-Y343 HydrophobicContact CB-CE2 3.89Å; I341-Y343 HydrophobicContact CG2-CD1 4.41Å; I341-Y343 HydrophobicContact CG2-CD2 3.67Å; I341-Y343 HydrophobicContact CG2-CE1 4.14Å; I341-Y343 HydrophobicContact CG2-CE2 3.34Å; I341-Y343 HydrophobicContact CG2-CG 4.2Å; I341-Y343 PolarHBondContact O-N 2.78Å |
| 342 | V | 24.6 | Very low | 26.1 | Very low | 120 Ų | 120 | 145.3 Ų | 145.3 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | | | trans | -73.9 | 92 | 171.1 | -178.3 | 0 | 0 | 0 | 0 | 106.1 | K340 K344 | K340-V342 VanDerWaalsContact C-N 3.25Å; K340-V342 PolarHBondContact O-N 2.78Å; V342-K344 VanDerWaalsContact C-N 3.33Å; V342-K344 PolarHBondContact O-N 2.78Å |
| 343 | Y | 23.1 | Very low | 26.1 | Very low | 196 Ų | 196 | 144.4 Ų | 144.4 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | | | trans | -66.5 | 95.6 | 169.1 | -74.7 | -84.5 | 0 | 0 | 0 | 108.5 | I341 Q345 | I341-Y343 VanDerWaalsContact C-N 3.31Å; I341-Y343 HydrophobicContact CB-CD2 4.26Å; I341-Y343 HydrophobicContact CB-CE2 3.89Å; I341-Y343 HydrophobicContact CG2-CD1 4.41Å; I341-Y343 HydrophobicContact CG2-CD2 3.67Å; I341-Y343 HydrophobicContact CG2-CE1 4.14Å; I341-Y343 HydrophobicContact CG2-CE2 3.34Å; I341-Y343 HydrophobicContact CG2-CG 4.2Å; I341-Y343 PolarHBondContact O-N 2.78Å; Y343-Q345 PolarHBondContact O-N 3.15Å |
| 344 | K | 23.7 | Very low | 26.2 | Very low | 188 Ų | 188 | 143.7 Ų | 143.7 | 82% | 0.817 | 74% | 0.741 | S | S | * | * | | | trans | -67.9 | 108.5 | 160 | -92.7 | -174.4 | 175.9 | 179.5 | 0 | 107.3 | V342 R346 | V342-K344 VanDerWaalsContact C-N 3.33Å; V342-K344 PolarHBondContact O-N 2.78Å; K344-R346 PolarHBondContact O-N 2.85Å |
| 345 | Q | 25.4 | Very low | 26.6 | Very low | 175 Ų | 175 | 144.4 Ų | 144.4 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | | | trans | -58.1 | 100.3 | 168.9 | -171.3 | 172 | 8.5 | 0 | 0 | 108.3 | Y343 T347 | Y343-Q345 PolarHBondContact O-N 3.15Å; Q345-T347 VanDerWaalsContact C-N 3.3Å; Q345-T347 PolarHBondContact O-N 3.49Å |
| 346 | R | 24.4 | Very low | 27 | Very low | 241 Ų | 241 | 143.4 Ų | 143.4 | 91% | 0.909 | 75% | 0.747 | S | S | * | * | | | trans | -72 | 91.7 | 165.1 | -83.8 | -178.6 | 171.4 | 168.8 | -2.6 | 106.7 | K344 A348 | K344-R346 PolarHBondContact O-N 2.85Å; R346-A348 VanDerWaalsContact C-N 3.3Å; R346-A348 PolarHBondContact O-N 3.21Å |
| 347 | T | 25.5 | Very low | 27.3 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | | | trans | -62.1 | 102.7 | 152.9 | 29 | 0 | 0 | 0 | 0 | 106.2 | Q345 T349 | Q345-T347 VanDerWaalsContact C-N 3.3Å; Q345-T347 PolarHBondContact O-N 3.49Å; T347-T349 VanDerWaalsContact C-N 3.25Å; T347-T349 PolarHBondContact O-N 2.87Å |
| 348 | A | 23.9 | Very low | 27.8 | Very low | 86 Ų | 86 | 140.2 Ų | 140.2 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | | | trans | -63.3 | 96.1 | 165 | 0 | 0 | 0 | 0 | 0 | 106.4 | R346 N350 | R346-A348 VanDerWaalsContact C-N 3.3Å; R346-A348 PolarHBondContact O-N 3.21Å; A348-N350 VanDerWaalsContact C-N 3.26Å; A348-N350 PolarHBondContact O-N 3.01Å |
| 349 | T | 27.1 | Very low | 28.3 | Very low | 115 Ų | 115 | 142.3 Ų | 142.3 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | | | trans | -67.8 | 94.7 | 166.7 | -38.5 | 0 | 0 | 0 | 0 | 105.7 | T347 T351 | T347-T349 VanDerWaalsContact C-N 3.25Å; T347-T349 PolarHBondContact O-N 2.87Å; T349-T351 PolarHBondContact O-N 3.28Å |
| 350 | N | 27.2 | Very low | 28.6 | Very low | 138 Ų | 138 | 142.5 Ų | 142.5 | 74% | 0.738 | 73% | 0.732 | S | S | * | * | | | trans | -64.5 | 94.8 | 162.5 | -78 | -9.8 | 0 | 0 | 0 | 106.1 | A348 D352 | A348-N350 VanDerWaalsContact C-N 3.26Å; A348-N350 PolarHBondContact O-N 3.01Å; N350-D352 PolarHBondContact O-N 2.87Å |
| 351 | T | 28.4 | Very low | 29 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | | | trans | -68.8 | 80.8 | 156.2 | 38.4 | 0 | 0 | 0 | 0 | 107 | T349 | T349-T351 PolarHBondContact O-N 3.28Š|
| 352 | D | 31.5 | Very low | 29.4 | Very low | 132 Ų | 132 | 142.3 Ų | 142.3 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | | | trans | -89.9 | 117.3 | 151.8 | -90 | -30.3 | 0 | 0 | 0 | 106.1 | N350 T354 | N350-D352 PolarHBondContact O-N 2.87Å; D352-T354 PolarHBondContact O-N 2.93Å |
| 353 | D | 30.2 | Very low | 29.8 | Very low | 154 Ų | 154 | 146 Ų | 146 | 82% | 0.824 | 74% | 0.74 | S | S | * | * | | | trans | -52.4 | 99.1 | 167.7 | -92.5 | -44.2 | 0 | 0 | 0 | 109.3 | | |
| 354 | T | 31.8 | Very low | 30.4 | Very low | 109 Ų | 109 | 141 Ų | 141 | 67% | 0.669 | 73% | 0.734 | S | S | * | * | | | trans | -111.6 | 76.6 | 159.4 | 47.8 | 0 | 0 | 0 | 0 | 108.1 | D352 | D352-T354 PolarHBondContact O-N 2.93Š|
| 355 | K | 33.4 | Very low | 31 | Very low | 184 Ų | 184 | 137.3 Ų | 137.3 | 80% | 0.8 | 72% | 0.723 | S | S | * | * | | | trans | -83.1 | 115.9 | 155.5 | -74.7 | -173.4 | 179 | 178.8 | 0 | 107.4 | | |
| 356 | D | 35.9 | Very low | 31.4 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | S | Bend | trans | 61.6 | 136.4 | 162.3 | -80.9 | -40.4 | 0 | 0 | 0 | 120 | M358 | D356-M358 PolarHBondContact OD1-N 3.17Š|
| 357 | P | 30.2 | Very low | 32.1 | Very low | 128 Ų | 128 | 132.5 Ų | 132.5 | 83% | 0.831 | 71% | 0.712 | S | S | * | * | | | cis | -94.4 | 110.5 | 9.2 | 33.3 | -26.1 | 0 | 0 | 0 | 111.3 | D359 | P357-D359 PolarHBondContact O-N 2.77Š|
| 358 | M | 35.9 | Very low | 32.6 | Very low | 75 Ų | 75 | 136.4 Ų | 136.4 | 37% | 0.369 | 71% | 0.714 | S | S | . | * | | | trans | -90.5 | 88.8 | 176.9 | -80 | -94.4 | -85.7 | 0 | 0 | 108.6 | D356 Q360 | D356-M358 PolarHBondContact OD1-N 3.17Å; M358-Q360 HydrophobicContact CB-CB 4.24Å; M358-Q360 HydrophobicContact CE-CB 3.78Å; M358-Q360 HydrophobicContact CE-CG 3.75Å; M358-Q360 PolarHBondContact O-N 2.86Å; M358-Q360 HydrophobicContact SD-CB 3.74Å; M358-Q360 HydrophobicContact SD-CG 3.31Å; M358-Q360 WeakPolarHBondContact SD-CG 3.29Å; M358-Q360 PolarHBondContact SD-NE2 3.03Å |
| 359 | D | 34.2 | Very low | 33.4 | Very low | 151 Ų | 151 | 141 Ų | 141 | 81% | 0.807 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | 16.8 | 149.9 | -88.5 | -28.5 | 0 | 0 | 0 | 112.5 | P357 I361 E362 | P357-D359 PolarHBondContact O-N 2.77Å; D359-I361 PolarHBondContact O-N 2.82Å; D359-I361 VanDerWaalsContact O-N 3.12Å; D359-E362 PolarHBondContact O-N 2.99Å |
| 360 | Q | 31 | Very low | 33.9 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 57% | 0.565 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -1.4 | 173 | -83.7 | -163.7 | 23.5 | 0 | 0 | 114.1 | M358 E362 S364 | M358-Q360 HydrophobicContact CB-CB 4.24Å; M358-Q360 HydrophobicContact CE-CB 3.78Å; M358-Q360 HydrophobicContact CE-CG 3.75Å; M358-Q360 PolarHBondContact O-N 2.86Å; M358-Q360 HydrophobicContact SD-CB 3.74Å; M358-Q360 HydrophobicContact SD-CG 3.31Å; M358-Q360 WeakPolarHBondContact SD-CG 3.29Å; M358-Q360 PolarHBondContact SD-NE2 3.03Å; Q360-E362 PolarHBondContact O-N 3.45Å; Q360-S364 PolarHBondContact O-OG 2.84Å |
| 361 | I | 35.2 | Very low | 34.4 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 63% | 0.631 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -65.5 | -26.6 | 169.7 | -63.9 | 178.6 | 0 | 0 | 0 | 110.6 | D359 K363 L365 | D359-I361 PolarHBondContact O-N 2.82Å; D359-I361 VanDerWaalsContact O-N 3.12Å; I361-K363 PolarHBondContact O-N 3.35Å; I361-L365 HydrophobicContact CG2-CD1 4Å |
| 362 | E | 35.7 | Very low | 34.8 | Very low | 178 Ų | 178 | 142.2 Ų | 142.2 | 83% | 0.832 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -78.9 | -16.3 | -176.5 | -154.6 | 168.7 | -157.4 | 0 | 0 | 114.3 | D359 Q360 | D359-E362 PolarHBondContact O-N 2.99Å; Q360-E362 PolarHBondContact O-N 3.45Å |
| 363 | K | 32.4 | Very low | 35.1 | Very low | 198 Ų | 198 | 141.7 Ų | 141.7 | 86% | 0.861 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -109.1 | -12.6 | 178.9 | -92.6 | -177.6 | 177.3 | 175.6 | 0 | 116.1 | I361 | I361-K363 PolarHBondContact O-N 3.35Å |
| 364 | S | 36.4 | Very low | 35.5 | Very low | 91 Ų | 91 | 141.3 Ų | 141.3 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -91.4 | -14.7 | 177.4 | 46.3 | 0 | 0 | 0 | 0 | 112.8 | Q360 R366 | Q360-S364 PolarHBondContact O-OG 2.84Å; S364-R366 PolarHBondContact O-N 2.99Å; S364-R366 VanDerWaalsContact O-N 3.16Å |
| 365 | L | 35.1 | Very low | 35.8 | Very low | 111 Ų | 111 | 141.4 Ų | 141.4 | 58% | 0.581 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -83.7 | 96 | 172.3 | -100.6 | 125.8 | 0 | 0 | 0 | 111 | I361 | I361-L365 HydrophobicContact CG2-CD1 4Š|
| 366 | R | 33.1 | Very low | 36 | Very low | 178 Ų | 178 | 139.7 Ų | 139.7 | 67% | 0.672 | 72% | 0.72 | S | S | * | * | | | trans | 92.9 | 69 | 152.5 | -55.2 | -168.5 | -178.7 | -166.1 | 3.8 | 116 | S364 R368 | S364-R366 PolarHBondContact O-N 2.99Å; S364-R366 VanDerWaalsContact O-N 3.16Å; R366-R368 HydrophobicContact CB-CB 3.87Å; R366-R368 HydrophobicContact CG-CB 4.29Å; R366-R368 PolarHBondContact O-N 2.95Å |
| 367 | V | 39.7 | Very low | 36.3 | Very low | 137 Ų | 137 | 137.5 Ų | 137.5 | 83% | 0.83 | 71% | 0.713 | S | S | * | * | | | | -50.5 | 54.4 | 125.6 | -172.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 368 | R | 36 | Very low | 36.7 | Very low | 191 Ų | 191 | 139.7 Ų | 139.7 | 72% | 0.721 | 71% | 0.712 | S | S | * | * | | | trans | -125.2 | 9.8 | 178.2 | -124.2 | -173.7 | -171.8 | -175.4 | 2 | 113.2 | R366 | R366-R368 HydrophobicContact CB-CB 3.87Å; R366-R368 HydrophobicContact CG-CB 4.29Å; R366-R368 PolarHBondContact O-N 2.95Å |
| 369 | E | 39.9 | Very low | 36.6 | Very low | 183 Ų | 183 | 144 Ų | 144 | 86% | 0.855 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -114 | 7.1 | 177.2 | -118.5 | 176.8 | -168.9 | 0 | 0 | 114.3 | | |
| 370 | Q | 37.9 | Very low | 36.9 | Very low | 173 Ų | 173 | 141.8 Ų | 141.8 | 81% | 0.808 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -136.6 | 12.2 | 177.3 | -84.9 | -172.2 | -23.6 | 0 | 0 | 115.5 | | |
| 371 | A | 39 | Very low | 36.8 | Very low | 83 Ų | 83 | 138.5 Ų | 138.5 | 69% | 0.686 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -90.2 | -10.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 372 | D | 36.2 | Very low | 36.7 | Very low | 151 Ų | 151 | 140.1 Ų | 140.1 | 81% | 0.807 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -93.8 | -6.9 | 178.9 | -71.4 | -24.4 | 0 | 0 | 0 | 113.5 | | |
| 373 | D | 37.1 | Very low | 36.6 | Very low | 121 Ų | 121 | 142.1 Ų | 142.1 | 65% | 0.647 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -101 | 98.5 | 175.2 | -74.1 | -25.6 | 0 | 0 | 0 | 110.6 | | |
| 374 | I | 40.4 | Very low | 36.7 | Very low | 146 Ų | 146 | 139 Ų | 139 | 75% | 0.749 | 73% | 0.733 | S | S | * | * | | | trans | 99.8 | 96.2 | 157.5 | -46.5 | 151.2 | 0 | 0 | 0 | 114.3 | | |
| 375 | P | 36.9 | Very low | 36.5 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 72% | 0.721 | 73% | 0.729 | S | S | * | * | | | | -123.8 | 109.4 | 108 | 33.6 | -26.7 | 0 | 0 | 0 | 109.7 | P377 | P375-P377 VanDerWaalsContact C-CD 3.48Š|
| 376 | L | 38 | Very low | 36.3 | Very low | 148 Ų | 148 | 141.8 Ų | 141.8 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | | | trans | -117.5 | 84.6 | 161.5 | -83.6 | 136.6 | 0 | 0 | 0 | 108.6 | E378 | L376-E378 VanDerWaalsContact C-N 3.28Š|
| 377 | P | 41.4 | Very low | 36.2 | Very low | 90 Ų | 90 | 139.6 Ų | 139.6 | 58% | 0.584 | 75% | 0.747 | S | S | * | * | | | trans | -88.4 | 9.1 | 163.8 | 20.2 | -3.4 | 0 | 0 | 0 | 112.3 | P375 V380 | P375-P377 VanDerWaalsContact C-CD 3.48Å; P377-V380 WeakPolarHBondContact O-CB 3.29Å; P377-V380 WeakPolarHBondContact O-CG2 3.45Å; P377-V380 PolarHBondContact O-N 3.18Å |
| 378 | E | 39.4 | Very low | 35.9 | Very low | 174 Ų | 174 | 138.5 Ų | 138.5 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -2.3 | -175 | -72.2 | -169.9 | 163.4 | 0 | 0 | 115.7 | L376 | L376-E378 VanDerWaalsContact C-N 3.28Š|
| 379 | D | 34.6 | Very low | 35.5 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 88% | 0.882 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | 22.3 | 158.2 | -93.6 | -13.4 | 0 | 0 | 0 | 112.4 | G381 | D379-G381 PolarHBondContact O-N 3.46Š|
| 380 | V | 38.8 | Very low | 35.3 | Very low | 105 Ų | 105 | 134.4 Ų | 134.4 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | | | trans | -69.5 | 61 | 146 | -171 | 0 | 0 | 0 | 0 | 107.6 | P377 I382 | P377-V380 WeakPolarHBondContact O-CB 3.29Å; P377-V380 WeakPolarHBondContact O-CG2 3.45Å; P377-V380 PolarHBondContact O-N 3.18Å; V380-I382 HydrophobicContact CG1-CG1 4.07Å; V380-I382 PolarHBondContact O-N 2.94Å |
| 381 | G | 30.2 | Very low | 34.9 | Very low | 52 Ų | 52 | 131 Ų | 131 | 54% | 0.536 | 75% | 0.748 | S | S | . | * | | | trans | -61 | 91.8 | 153.6 | 0 | 0 | 0 | 0 | 0 | 106.2 | D379 R383 | D379-G381 PolarHBondContact O-N 3.46Å; G381-R383 PolarHBondContact O-N 3.37Å |
| 382 | I | 32.1 | Very low | 34.7 | Very low | 157 Ų | 157 | 132.5 Ų | 132.5 | 81% | 0.805 | 75% | 0.745 | S | S | * | * | | | trans | -55.6 | 78.7 | 163 | -58.4 | 165.9 | 0 | 0 | 0 | 107 | V380 | V380-I382 HydrophobicContact CG1-CG1 4.07Å; V380-I382 PolarHBondContact O-N 2.94Å |
| 383 | R | 35 | Very low | 34.5 | Very low | 220 Ų | 220 | 132.2 Ų | 132.2 | 83% | 0.83 | 74% | 0.742 | S | S | * | * | | | trans | -154.3 | 80.2 | 179.1 | -69.7 | -165.3 | 167.9 | -171.3 | -3.7 | 108.4 | G381 | G381-R383 PolarHBondContact O-N 3.37Š|
| 384 | T | 32.7 | Very low | 34.2 | Very low | 132 Ų | 132 | 131.6 Ų | 131.6 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | S | Bend | | 179.9 | 103 | 123.7 | 33.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 385 | S | 32.1 | Very low | 33.8 | Very low | 81 Ų | 81 | 128 Ų | 128 | 57% | 0.566 | 73% | 0.734 | S | S | * | * | | | trans | 41.1 | 98.9 | 131.3 | 52.1 | 0 | 0 | 0 | 0 | 117 | D387 | S385-D387 VanDerWaalsContact CB-OD2 3.3Å; S385-D387 WeakPolarHBondContact CB-OD2 3.45Å; S385-D387 PolarHBondContact O-N 3.46Å |
| 386 | I | 32.1 | Very low | 33.6 | Very low | 180 Ų | 180 | 127.8 Ų | 127.8 | 92% | 0.923 | 73% | 0.731 | S | S | * | * | | | trans | -65.6 | 76.2 | 149.4 | -58.4 | 164.2 | 0 | 0 | 0 | 106.4 | | |
| 387 | D | 30.3 | Very low | 33.3 | Very low | 131 Ų | 131 | 128.8 Ų | 128.8 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | | | trans | -102 | 102.7 | 173.2 | -76.5 | -19 | 0 | 0 | 0 | 108.7 | S385 | S385-D387 VanDerWaalsContact CB-OD2 3.3Å; S385-D387 WeakPolarHBondContact CB-OD2 3.45Å; S385-D387 PolarHBondContact O-N 3.46Å |
| 388 | S | 33.4 | Very low | 32.8 | Very low | 115 Ų | 115 | 135.7 Ų | 135.7 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | S | Bend | | 81.9 | 27.2 | 127.3 | -98.4 | 0 | 0 | 0 | 0 | 123.9 | | |
| 389 | E | 29.3 | Very low | 32.5 | Very low | 182 Ų | 182 | 135.3 Ų | 135.3 | 85% | 0.85 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -130.4 | -5.4 | 167.9 | -69.7 | -166 | 175.7 | 0 | 0 | 117.7 | S391 | E389-S391 PolarHBondContact O-N 3.01Š|
| 390 | A | 33.7 | Very low | 32.4 | Very low | 105 Ų | 105 | 136.6 Ų | 136.6 | 87% | 0.868 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -0.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 391 | S | 30.9 | Very low | 32.1 | Very low | 103 Ų | 103 | 136.3 Ų | 136.3 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -0.7 | -168.9 | -159.3 | 0 | 0 | 0 | 0 | 116.6 | E389 | E389-S391 PolarHBondContact O-N 3.01Š|
| 392 | D | 35.1 | Very low | 32.5 | Very low | 114 Ų | 114 | 138.7 Ų | 138.7 | 61% | 0.61 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -120.4 | -13.8 | -174.1 | -91.9 | -20.9 | 0 | 0 | 0 | 117.5 | S394 S395 V396 | D392-S394 PolarHBondContact O-N 2.92Å; D392-S395 PolarHBondContact O-N 3.15Å; D392-V396 WeakPolarHBondContact O-CG2 3.17Å |
| 393 | I | 31.7 | Very low | 32.6 | Very low | 145 Ų | 145 | 138.4 Ų | 138.4 | 74% | 0.744 | 76% | 0.759 | S | S | * | * | H | α-helix | trans | -76.5 | -24.7 | -175.3 | -57.3 | 177.5 | 0 | 0 | 0 | 112.4 | | |
| 394 | S | 31.2 | Very low | 32.6 | Very low | 107 Ų | 107 | 133.9 Ų | 133.9 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -80.2 | -15.8 | 176.4 | 79.2 | 0 | 0 | 0 | 0 | 114 | D392 | D392-S394 PolarHBondContact O-N 2.92Å |
| 395 | S | 31 | Very low | 32.7 | Very low | 70 Ų | 70 | 136 Ų | 136 | 49% | 0.49 | 76% | 0.756 | S | S | . | * | H | α-helix | trans | -89.6 | -32.1 | -177.4 | -179 | 0 | 0 | 0 | 0 | 113.2 | D392 M397 | D392-S395 PolarHBondContact O-N 3.15Å; S395-M397 VanDerWaalsContact C-N 3.29Å; S395-M397 PolarHBondContact O-N 2.95Å |
| 396 | V | 32.6 | Very low | 32.8 | Very low | 108 Ų | 108 | 139.9 Ų | 139.9 | 66% | 0.655 | 77% | 0.771 | S | S | * | * | H | α-helix | trans | -72.1 | -21 | -175.2 | 178.5 | 0 | 0 | 0 | 0 | 112.8 | D392 R398 | D392-V396 WeakPolarHBondContact O-CG2 3.17Å; V396-R398 VanDerWaalsContact C-N 3.28Å; V396-R398 PolarHBondContact O-N 2.94Å |
| 397 | M | 31 | Very low | 32.8 | Very low | 169 Ų | 169 | 134.1 Ų | 134.1 | 83% | 0.833 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 1 | -176.6 | -72.4 | -82.7 | -94.8 | 0 | 0 | 115.1 | S395 | S395-M397 VanDerWaalsContact C-N 3.29Å; S395-M397 PolarHBondContact O-N 2.95Å |
| 398 | R | 32.2 | Very low | 33.1 | Very low | 234 Ų | 234 | 135 Ų | 135 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.6 | 3.7 | 177.1 | -65 | -167.2 | -172.4 | -149.4 | 3.2 | 115.1 | V396 | V396-R398 VanDerWaalsContact C-N 3.28Å; V396-R398 PolarHBondContact O-N 2.94Å |
| 399 | Q | 31.9 | Very low | 33.2 | Very low | 166 Ų | 166 | 134.2 Ų | 134.2 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -100.4 | 106.6 | 176.1 | -70.3 | -165.8 | 6.1 | 0 | 0 | 111.9 | | |
| 400 | K | 33.7 | Very low | 33.6 | Very low | 193 Ų | 193 | 130.2 Ų | 130.2 | 84% | 0.839 | 74% | 0.743 | S | S | * | * | | | trans | 56 | 76.4 | 158.4 | -73.4 | 173 | 172.7 | 172.3 | 0 | 116 | P402 | K400-P402 WeakPolarHBondContact O-CD 2.84Š|
| 401 | A | 31.8 | Very low | 33.8 | Very low | 99 Ų | 99 | 131.9 Ų | 131.9 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | | | trans | -72.8 | 109.8 | 138.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 402 | P | 38.2 | Very low | 34.2 | Very low | 102 Ų | 102 | 133.9 Ų | 133.9 | 66% | 0.662 | 73% | 0.734 | S | S | * | * | | | trans | -55.1 | 143.1 | 169.8 | 22 | -30.5 | 0 | 0 | 0 | 109 | K400 V404 | K400-P402 WeakPolarHBondContact O-CD 2.84Å; P402-V404 HydrophobicContact CB-CG2 4.46Å; P402-V404 HydrophobicContact CG-CG2 4.2Å; P402-V404 WeakPolarHBondContact O-CG2 3.27Å; P402-V404 PolarHBondContact O-N 3.25Å |
| 403 | N | 34.4 | Very low | 34.4 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 81% | 0.807 | 74% | 0.738 | S | S | * | * | | | trans | -69.3 | 75.3 | -177.4 | -154.1 | 17.7 | 0 | 0 | 0 | 109.3 | Q405 | N403-Q405 PolarHBondContact O-N 3.33Š|
| 404 | V | 36.5 | Very low | 34.8 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 76% | 0.758 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 62.7 | 178.2 | -148.6 | 0 | 0 | 0 | 0 | 108.7 | P402 | P402-V404 HydrophobicContact CB-CG2 4.46Å; P402-V404 HydrophobicContact CG-CG2 4.2Å; P402-V404 WeakPolarHBondContact O-CG2 3.27Å; P402-V404 PolarHBondContact O-N 3.25Å |
| 405 | Q | 32.8 | Very low | 35.4 | Very low | 175 Ų | 175 | 134.9 Ų | 134.9 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | -0.7 | 167.1 | -80.1 | -152.6 | -27.1 | 0 | 0 | 113.2 | N403 G407 | N403-Q405 PolarHBondContact O-N 3.33Å; Q405-G407 PolarHBondContact O-N 2.86Å |
| 406 | D | 34.6 | Very low | 35.6 | Very low | 164 Ų | 164 | 137.5 Ų | 137.5 | 88% | 0.877 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -99.3 | 82.5 | 174 | -69.7 | -22.4 | 0 | 0 | 0 | 110 | | |
| 407 | G | 31.7 | Very low | 35.8 | Very low | 59 Ų | 59 | 141 Ų | 141 | 61% | 0.608 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 137.2 | 90.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q405 | Q405-G407 PolarHBondContact O-N 2.86Š|
| 408 | L | 38.1 | Very low | 36.1 | Very low | 149 Ų | 149 | 142.3 Ų | 142.3 | 78% | 0.78 | 73% | 0.733 | S | S | * | * | | | trans | 174.7 | 63.1 | 133.5 | -90 | 147.3 | 0 | 0 | 0 | 107 | I410 | L408-I410 HydrophobicContact CB-CG1 4.11Å; L408-I410 HydrophobicContact CD2-CD1 3.87Å; L408-I410 HydrophobicContact CD2-CG1 3.42Å; L408-I410 VanDerWaalsContact CD2-CG1 3.42Å; L408-I410 HydrophobicContact CG-CG1 4.38Å; L408-I410 PolarHBondContact O-N 3.17Å; L408-I410 VanDerWaalsContact O-N 3.09Å |
| 409 | A | 35.6 | Very low | 36.2 | Very low | 99 Ų | 99 | 134.6 Ų | 134.6 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | | | trans | -65.2 | 92.3 | 142.4 | 0 | 0 | 0 | 0 | 0 | 104.7 | D411 | A409-D411 PolarHBondContact O-N 2.92Š|
| 410 | I | 37.6 | Very low | 36.4 | Very low | 98 Ų | 98 | 132.7 Ų | 132.7 | 50% | 0.503 | 72% | 0.715 | S | S | . | * | | | trans | -76.4 | 112.9 | 169.3 | -62.1 | 171.1 | 0 | 0 | 0 | 104.3 | L408 F412 | L408-I410 HydrophobicContact CB-CG1 4.11Å; L408-I410 HydrophobicContact CD2-CD1 3.87Å; L408-I410 HydrophobicContact CD2-CG1 3.42Å; L408-I410 VanDerWaalsContact CD2-CG1 3.42Å; L408-I410 HydrophobicContact CG-CG1 4.38Å; L408-I410 PolarHBondContact O-N 3.17Å; L408-I410 VanDerWaalsContact O-N 3.09Å; I410-F412 HydrophobicContact CB-CE2 4.19Å; I410-F412 HydrophobicContact CB-CZ 4.48Å; I410-F412 HydrophobicContact CG2-CE2 4.38Å; I410-F412 HydrophobicContact CG2-CZ 4.32Å; I410-F412 WeakPolarHBondContact O-CD2 3.48Å; I410-F412 PolarHBondContact O-N 2.86Å; I410-F412 VanDerWaalsContact O-N 3.09Å |
| 411 | D | 38.2 | Very low | 36.6 | Very low | 140 Ų | 140 | 129.4 Ų | 129.4 | 75% | 0.749 | 71% | 0.706 | S | S | * | * | | | trans | -55.7 | 107.6 | 169.8 | -75.9 | -37.7 | 0 | 0 | 0 | 108.4 | A409 E413 | A409-D411 PolarHBondContact O-N 2.92Å; D411-E413 PolarHBondContact O-N 3.5Å |
| 412 | F | 37.6 | Very low | 37 | Very low | 144 Ų | 144 | 131.5 Ų | 131.5 | 63% | 0.632 | 70% | 0.703 | S | S | * | * | | | trans | -89.4 | 19.4 | 173.5 | -76.2 | -77 | 0 | 0 | 0 | 112.2 | I410 D414 | I410-F412 HydrophobicContact CB-CE2 4.19Å; I410-F412 HydrophobicContact CB-CZ 4.48Å; I410-F412 HydrophobicContact CG2-CE2 4.38Å; I410-F412 HydrophobicContact CG2-CZ 4.32Å; I410-F412 WeakPolarHBondContact O-CD2 3.48Å; I410-F412 PolarHBondContact O-N 2.86Å; I410-F412 VanDerWaalsContact O-N 3.09Å; F412-D414 VanDerWaalsContact C-N 3.31Å; F412-D414 PolarHBondContact O-N 3.14Å |
| 413 | E | 39.5 | Very low | 36.8 | Very low | 150 Ų | 150 | 131.7 Ų | 131.7 | 70% | 0.701 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -10.1 | -178.2 | -127.7 | 74.6 | -152.7 | 0 | 0 | 113.5 | D411 | D411-E413 PolarHBondContact O-N 3.5Š|
| 414 | D | 41.3 | Very low | 36.7 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 59% | 0.588 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -12.6 | -177.7 | -91.1 | -31.9 | 0 | 0 | 0 | 115 | F412 R417 | F412-D414 VanDerWaalsContact C-N 3.31Å; F412-D414 PolarHBondContact O-N 3.14Å; D414-R417 IonicContact OD1-CZ 3.82Å; D414-R417 IonicContact OD1-NH2 2.76Å; D414-R417 PolarHBondContact OD1-NH2 3.44Å |
| 415 | D | 43.6 | Very low | 36.5 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 68% | 0.684 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -91.5 | -9.9 | -175.3 | -82.5 | -14.5 | 0 | 0 | 0 | 115 | R417 | D415-R417 VanDerWaalsContact C-N 3.28Å; D415-R417 PolarHBondContact O-N 2.86Å |
| 416 | I | 35.5 | Very low | 36.5 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 64% | 0.636 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -77.4 | -16.1 | -179.4 | -51.9 | 178.2 | 0 | 0 | 0 | 111.9 | Y418 | I416-Y418 PolarHBondContact O-N 3.02Š|
| 417 | R | 36.3 | Very low | 36.4 | Very low | 181 Ų | 181 | 130.4 Ų | 130.4 | 68% | 0.683 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -74.3 | -5.3 | 178.3 | -70.6 | -173.3 | -72.6 | 178.2 | -5.9 | 114.5 | D414 D415 | D414-R417 IonicContact OD1-CZ 3.82Å; D414-R417 IonicContact OD1-NH2 2.76Å; D414-R417 PolarHBondContact OD1-NH2 3.44Å; D415-R417 VanDerWaalsContact C-N 3.28Å; D415-R417 PolarHBondContact O-N 2.86Å |
| 418 | Y | 36.2 | Very low | 36.3 | Very low | 197 Ų | 197 | 132.3 Ų | 132.3 | 77% | 0.773 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -89.6 | 0.1 | 178.4 | -124.6 | -82.5 | 0 | 0 | 0 | 114.3 | I416 | I416-Y418 PolarHBondContact O-N 3.02Š|
| 419 | A | 35.1 | Very low | 36 | Very low | 73 Ų | 73 | 132.1 Ų | 132.1 | 60% | 0.603 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -90 | -17.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D421 | A419-D421 VanDerWaalsContact C-N 3.35Å; A419-D421 PolarHBondContact O-N 3.39Å |
| 420 | D | 35.3 | Very low | 35.7 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 67% | 0.674 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -79.2 | -14.3 | -174.8 | -72.7 | -25.2 | 0 | 0 | 0 | 113.9 | L422 S423 | D420-L422 PolarHBondContact O-N 3.2Å; D420-S423 PolarHBondContact O-OG 3.37Å |
| 421 | D | 38 | Very low | 35.3 | Very low | 124 Ų | 124 | 140.4 Ų | 140.4 | 66% | 0.663 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -86.7 | -2.3 | -174.1 | -77.5 | -8.3 | 0 | 0 | 0 | 115.2 | A419 | A419-D421 VanDerWaalsContact C-N 3.35Å; A419-D421 PolarHBondContact O-N 3.39Å |
| 422 | L | 40.3 | Very low | 34.8 | Very low | 142 Ų | 142 | 138.8 Ų | 138.8 | 74% | 0.743 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -91.3 | 4.3 | 176.7 | -69.2 | 177.9 | 0 | 0 | 0 | 114.1 | D420 E424 | D420-L422 PolarHBondContact O-N 3.2Å; L422-E424 PolarHBondContact O-N 3.16Å |
| 423 | S | 34.9 | Very low | 34.3 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -75.9 | -3.5 | 174.7 | 61.3 | 0 | 0 | 0 | 0 | 114.3 | D420 | D420-S423 PolarHBondContact O-OG 3.37Š|
| 424 | E | 32.5 | Very low | 33.7 | Very low | 169 Ų | 169 | 138.8 Ų | 138.8 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -103.2 | 0.6 | -174.6 | -70.5 | -164.4 | 163.3 | 0 | 0 | 116.7 | L422 S426 | L422-E424 PolarHBondContact O-N 3.16Å; E424-S426 VanDerWaalsContact C-N 3.25Å; E424-S426 PolarHBondContact O-N 3.24Å |
| 425 | L | 31.4 | Very low | 33.1 | Very low | 151 Ų | 151 | 139 Ų | 139 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | | | trans | -84.7 | 75.5 | 174 | -74.2 | 169.3 | 0 | 0 | 0 | 111.3 | I427 | L425-I427 PolarHBondContact O-N 3.1Š|
| 426 | S | 32.9 | Very low | 32.3 | Very low | 92 Ų | 92 | 139.2 Ų | 139.2 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | | | trans | -27.6 | 100.3 | 159.6 | 164.8 | 0 | 0 | 0 | 0 | 113.3 | E424 V428 | E424-S426 VanDerWaalsContact C-N 3.25Å; E424-S426 PolarHBondContact O-N 3.24Å; S426-V428 PolarHBondContact O-N 3.22Å; S426-V428 VanDerWaalsContact O-N 3.08Å |
| 427 | I | 32.6 | Very low | 32 | Very low | 175 Ų | 175 | 140.2 Ų | 140.2 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | | | trans | -78.8 | 78.6 | 162.7 | -57.2 | 170.9 | 0 | 0 | 0 | 106.4 | L425 | L425-I427 PolarHBondContact O-N 3.1Š|
| 428 | V | 30.6 | Very low | 31.5 | Very low | 100 Ų | 100 | 137.1 Ų | 137.1 | 61% | 0.606 | 77% | 0.774 | S | S | * | * | | | trans | -136.4 | 123.4 | 173.8 | 178.3 | 0 | 0 | 0 | 0 | 108.9 | S426 | S426-V428 PolarHBondContact O-N 3.22Å; S426-V428 VanDerWaalsContact O-N 3.08Å |
| 429 | D | 31.5 | Very low | 31.1 | Very low | 145 Ų | 145 | 137.1 Ų | 137.1 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | | | trans | 70.6 | 94.2 | 160.7 | -63.1 | -18 | 0 | 0 | 0 | 119.4 | | |
| 430 | E | 29.4 | Very low | 30.7 | Very low | 194 Ų | 194 | 138.8 Ų | 138.8 | 91% | 0.907 | 79% | 0.788 | S | S | * | * | | | | -162.6 | 65.7 | 128.5 | -109 | 172.9 | -166.7 | 0 | 0 | 111.5 | C432 | E430-C432 PolarHBondContact O-N 2.84Š|
| 431 | L | 29.4 | Very low | 30.3 | Very low | 176 Ų | 176 | 140.9 Ų | 140.9 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | | | trans | -86.1 | 78.9 | 154.2 | -92.1 | 161.7 | 0 | 0 | 0 | 107.9 | | |
| 432 | C | 26.3 | Very low | 29.8 | Very low | 107 Ų | 107 | 142.9 Ų | 142.9 | 72% | 0.723 | 80% | 0.799 | S | S | * | * | | | trans | -152.6 | 91.9 | 170 | -90.6 | 0 | 0 | 0 | 0 | 110.2 | E430 | E430-C432 PolarHBondContact O-N 2.84Š|
| 433 | N | 28.2 | Very low | 29 | Very low | 158 Ų | 158 | 142.1 Ų | 142.1 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | | | trans | 179.9 | 83.8 | 132.4 | -85 | -26.5 | 0 | 0 | 0 | 109.6 | S435 | N433-S435 PolarHBondContact O-N 3.16Š|
| 434 | T | 26.3 | Very low | 28.7 | Very low | 135 Ų | 135 | 145.2 Ų | 145.2 | 83% | 0.828 | 81% | 0.807 | S | S | * | * | | | trans | -56.6 | 119.7 | 151.9 | 44.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 435 | S | 29.3 | Very low | 28.3 | Very low | 115 Ų | 115 | 142.2 Ų | 142.2 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | trans | -128.7 | 102.5 | 159.4 | -74.8 | 0 | 0 | 0 | 0 | 108.5 | N433 | N433-S435 PolarHBondContact O-N 3.16Š|
| 436 | T | 25.9 | Very low | 28 | Very low | 133 Ų | 133 | 143 Ų | 143 | 82% | 0.816 | 81% | 0.805 | S | S | * | * | | | trans | -61.2 | 122.2 | 169.6 | 42.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 437 | T | 28.8 | Very low | 27.7 | Very low | 144 Ų | 144 | 146.3 Ų | 146.3 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | | | trans | -138.6 | 101.1 | 146.5 | 42 | 0 | 0 | 0 | 0 | 108.3 | | |
| 438 | S | 26.2 | Very low | 27.4 | Very low | 116 Ų | 116 | 144.4 Ų | 144.4 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | | | trans | -70.5 | 128.1 | 165.5 | 58.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 439 | E | 28.7 | Very low | 27.4 | Very low | 198 Ų | 198 | 145.1 Ų | 145.1 | 93% | 0.925 | 82% | 0.817 | S | S | * | * | | | trans | -131 | 116.5 | 151.5 | -106.2 | 179.1 | 174.8 | 0 | 0 | 108.2 | | |
| 440 | S | 26.1 | Very low | 27.2 | Very low | 107 Ų | 107 | 146.4 Ų | 146.4 | 75% | 0.748 | 82% | 0.824 | S | S | * | * | | | trans | -79 | 130 | 179.2 | 48.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 441 | H | 26.1 | Very low | 27.1 | Very low | 170 Ų | 170 | 139.7 Ų | 139.7 | 79% | 0.787 | 81% | 0.807 | S | S | * | * | | | trans | -157.2 | 130.2 | 151.6 | -121.4 | -89.1 | 0 | 0 | 0 | 111.8 | | |
| 442 | E | 28.4 | Very low | 26.9 | Very low | 166 Ų | 166 | 142.4 Ų | 142.4 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | | | trans | 67.4 | 93.9 | 158 | -78.8 | 169.2 | 144.4 | 0 | 0 | 121.3 | | |
| 443 | T | 22.7 | Very low | 26.8 | Very low | 127 Ų | 127 | 145.9 Ų | 145.9 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | | | trans | -55.5 | 118.5 | 142.8 | 43 | 0 | 0 | 0 | 0 | 112.4 | | |
| 444 | L | 29.4 | Very low | 26.7 | Very low | 171 Ų | 171 | 145.5 Ų | 145.5 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | | | trans | -128.2 | 105.3 | 145.4 | -87 | 172.6 | 0 | 0 | 0 | 109 | | |
| 445 | V | 24.2 | Very low | 26.7 | Very low | 106 Ų | 106 | 144.1 Ų | 144.1 | 64% | 0.642 | 80% | 0.803 | S | S | * | * | | | trans | -67.8 | 123.5 | 171 | -179.9 | 0 | 0 | 0 | 0 | 107.9 | E447 | V445-E447 HydrophobicContact CG1-CB 4.48Å; V445-E447 HydrophobicContact CG1-CG 3.83Å |
| 446 | N | 24.7 | Very low | 26.5 | Very low | 168 Ų | 168 | 147.4 Ų | 147.4 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | | | trans | -125.4 | 87.5 | 153.7 | -112.8 | -6.4 | 0 | 0 | 0 | 107.1 | | |
| 447 | E | 26.5 | Very low | 26.5 | Very low | 161 Ų | 161 | 147 Ų | 147 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | | | trans | -69.9 | 123.1 | 156.8 | -71.1 | 179.9 | 165.2 | 0 | 0 | 107.9 | V445 | V445-E447 HydrophobicContact CG1-CB 4.48Å; V445-E447 HydrophobicContact CG1-CG 3.83Å |
| 448 | T | 27 | Very low | 26.3 | Very low | 135 Ų | 135 | 144.5 Ų | 144.5 | 83% | 0.828 | 80% | 0.802 | S | S | * | * | | | trans | 161.1 | 96.1 | 137.5 | 35.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 449 | S | 29.7 | Very low | 26.2 | Very low | 116 Ų | 116 | 147.9 Ų | 147.9 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | | | | -178.9 | 126.6 | 126.9 | 44.7 | 0 | 0 | 0 | 0 | 109.6 | G451 | S449-G451 PolarHBondContact O-N 3.07Š|
| 450 | N | 26.9 | Very low | 25.9 | Very low | 171 Ų | 171 | 146.8 Ų | 146.8 | 91% | 0.914 | 81% | 0.806 | S | S | * | * | | | trans | -71.6 | 55.8 | 176.4 | -72.2 | -29.3 | 0 | 0 | 0 | 111.6 | | |
| 451 | G | 27.9 | Very low | 25.9 | Very low | 54 Ų | 54 | 150.9 Ų | 150.9 | 56% | 0.557 | 81% | 0.814 | S | S | * | * | | | trans | -82.1 | 118.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | S449 E453 | S449-G451 PolarHBondContact O-N 3.07Å; G451-E453 PolarHBondContact O-N 3.26Å |
| 452 | Y | 25.6 | Very low | 25.9 | Very low | 232 Ų | 232 | 151.6 Ų | 151.6 | 91% | 0.91 | 82% | 0.817 | S | S | * | * | | | trans | -64.5 | 69.4 | 165.6 | -74.5 | -98.1 | 0 | 0 | 0 | 109.3 | L454 | Y452-L454 VanDerWaalsContact C-N 3.29Å; Y452-L454 PolarHBondContact O-N 3.01Å; Y452-L454 VanDerWaalsContact O-N 3.11Å |
| 453 | E | 24 | Very low | 25.6 | Very low | 180 Ų | 180 | 148.8 Ų | 148.8 | 84% | 0.841 | 82% | 0.816 | S | S | * | * | | | trans | -79.6 | 90 | 164.3 | -72.6 | -169.6 | 169.8 | 0 | 0 | 106.4 | G451 | G451-E453 PolarHBondContact O-N 3.26Š|
| 454 | L | 25.5 | Very low | 25.8 | Very low | 151 Ų | 151 | 148.3 Ų | 148.3 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | | | trans | -45.1 | 125.5 | 160.5 | -90.8 | 139.6 | 0 | 0 | 0 | 107.9 | Y452 L456 | Y452-L454 VanDerWaalsContact C-N 3.29Å; Y452-L454 PolarHBondContact O-N 3.01Å; Y452-L454 VanDerWaalsContact O-N 3.11Å; L454-L456 PolarHBondContact O-N 3.06Å |
| 455 | P | 27.7 | Very low | 25.6 | Very low | 106 Ų | 106 | 151.4 Ų | 151.4 | 69% | 0.688 | 82% | 0.815 | S | S | * | * | | | trans | -55.7 | 113.4 | 173.8 | -19.9 | 30.1 | 0 | 0 | 0 | 108 | V457 | P455-V457 HydrophobicContact CB-CB 4.19Å; P455-V457 HydrophobicContact CB-CG2 3.85Å; P455-V457 PolarHBondContact O-N 2.93Å |
| 456 | L | 25.2 | Very low | 25.7 | Very low | 183 Ų | 183 | 151 Ų | 151 | 96% | 0.958 | 82% | 0.822 | S | S | * | * | | | trans | -67.9 | 61.8 | 161.2 | -88.2 | 156.8 | 0 | 0 | 0 | 108.1 | L454 | L454-L456 PolarHBondContact O-N 3.06Š|
| 457 | V | 25.7 | Very low | 25.7 | Very low | 124 Ų | 124 | 148.5 Ų | 148.5 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | | | trans | -127.3 | 65.8 | 177.4 | -173.2 | 0 | 0 | 0 | 0 | 106.7 | P455 | P455-V457 HydrophobicContact CB-CB 4.19Å; P455-V457 HydrophobicContact CB-CG2 3.85Å; P455-V457 PolarHBondContact O-N 2.93Å |
| 458 | A | 25 | Very low | 25.6 | Very low | 93 Ų | 93 | 149.1 Ų | 149.1 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -164 | 36.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 459 | M | 22.5 | Very low | 25.4 | Very low | 187 Ų | 187 | 147.6 Ų | 147.6 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -145.7 | 14.7 | 171 | -80.6 | -155.9 | 68.5 | 0 | 0 | 116.1 | | |
| 460 | L | 24.3 | Very low | 25 | Very low | 175 Ų | 175 | 149.8 Ų | 149.8 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -95.6 | -0.1 | 177.7 | -104.1 | 150.6 | 0 | 0 | 0 | 114.7 | | |
| 461 | E | 25.9 | Very low | 24.8 | Very low | 192 Ų | 192 | 152.2 Ų | 152.2 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -97 | 5 | -172.6 | -80.1 | -156.8 | 156.1 | 0 | 0 | 117.1 | | |
| 462 | Q | 25 | Very low | 24.6 | Very low | 186 Ų | 186 | 160.2 Ų | 160.2 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | | | trans | -126 | 12.3 | -178.5 | -73.7 | -167.5 | -0.9 | 0 | 0 | 116.9 | P464 | Q462-P464 VanDerWaalsContact O-CD 3.25Å; Q462-P464 WeakPolarHBondContact O-CD 3.27Å |
| 463 | S | 22 | Very low | 24.5 | Very low | 106 Ų | 106 | 154.2 Ų | 154.2 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -85.5 | 111.3 | 161.2 | -64.6 | 0 | 0 | 0 | 0 | 107.6 | R465 | S463-R465 PolarHBondContact O-N 3.25Å; S463-R465 VanDerWaalsContact O-N 3.13Å |
| 464 | P | 27.5 | Very low | 24.5 | Very low | 118 Ų | 118 | 153.5 Ų | 153.5 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | | | trans | -50.5 | 128 | 173.3 | 19.3 | -29.6 | 0 | 0 | 0 | 107.6 | Q462 A466 | Q462-P464 VanDerWaalsContact O-CD 3.25Å; Q462-P464 WeakPolarHBondContact O-CD 3.27Å; P464-A466 PolarHBondContact O-N 3.31Å |
| 465 | R | 25 | Very low | 24.4 | Very low | 236 Ų | 236 | 154.5 Ų | 154.5 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | | | trans | -41.8 | 113.2 | 174.1 | -103.7 | 178.5 | 172.3 | 173 | -1.4 | 106.4 | S463 V467 | S463-R465 PolarHBondContact O-N 3.25Å; S463-R465 VanDerWaalsContact O-N 3.13Å; R465-V467 VanDerWaalsContact C-N 3.27Å; R465-V467 WeakPolarHBondContact O-CG2 3.43Å; R465-V467 PolarHBondContact O-N 3.49Å |
| 466 | A | 27.3 | Very low | 24.2 | Very low | 96 Ų | 96 | 154.4 Ų | 154.4 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | | | trans | -51.8 | 103.1 | 174 | 0 | 0 | 0 | 0 | 0 | 105.6 | P464 Q468 | P464-A466 PolarHBondContact O-N 3.31Å; A466-Q468 PolarHBondContact O-N 2.95Å |
| 467 | V | 23 | Very low | 24.1 | Very low | 117 Ų | 117 | 157.4 Ų | 157.4 | 71% | 0.709 | 79% | 0.794 | S | S | * | * | | | trans | -68.8 | 98.6 | -178 | -172.4 | 0 | 0 | 0 | 0 | 102.8 | R465 T469 | R465-V467 VanDerWaalsContact C-N 3.27Å; R465-V467 WeakPolarHBondContact O-CG2 3.43Å; R465-V467 PolarHBondContact O-N 3.49Å; V467-T469 HydrophobicContact CB-CG2 4.35Å; V467-T469 HydrophobicContact CG1-CG2 3.69Å; V467-T469 PolarHBondContact O-N 3.18Å |
| 468 | Q | 25.5 | Very low | 24.2 | Very low | 173 Ų | 173 | 157.5 Ų | 157.5 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | | | trans | -63.2 | 80.9 | 168 | -101.9 | -175.1 | -11.7 | 0 | 0 | 106.1 | A466 M470 | A466-Q468 PolarHBondContact O-N 2.95Å; Q468-M470 PolarHBondContact O-N 2.83Å |
| 469 | T | 22.5 | Very low | 24.2 | Very low | 103 Ų | 103 | 158.8 Ų | 158.8 | 63% | 0.632 | 79% | 0.789 | S | S | * | * | | | trans | -74.6 | 80.3 | 166.2 | 56.8 | 0 | 0 | 0 | 0 | 106 | V467 R471 | V467-T469 HydrophobicContact CB-CG2 4.35Å; V467-T469 HydrophobicContact CG1-CG2 3.69Å; V467-T469 PolarHBondContact O-N 3.18Å; T469-R471 PolarHBondContact O-N 3.42Å |
| 470 | M | 21.8 | Very low | 24.5 | Very low | 163 Ų | 163 | 156.5 Ų | 156.5 | 80% | 0.803 | 79% | 0.785 | S | S | * | * | | | trans | -66.2 | 81.8 | 158.5 | -82.9 | -157 | -69.4 | 0 | 0 | 107 | Q468 R472 | Q468-M470 PolarHBondContact O-N 2.83Å; M470-R472 PolarHBondContact O-N 3.24Å |
| 471 | R | 22.4 | Very low | 24.6 | Very low | 222 Ų | 222 | 158.8 Ų | 158.8 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | | | trans | -68.4 | 91.4 | 162.1 | -81.3 | -174.5 | 179.1 | 166.8 | 1 | 106.4 | T469 V473 | T469-R471 PolarHBondContact O-N 3.42Å; R471-V473 VanDerWaalsContact C-N 3.3Å; R471-V473 PolarHBondContact O-N 3.09Å |
| 472 | R | 22.7 | Very low | 24.6 | Very low | 221 Ų | 221 | 154.7 Ų | 154.7 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | | | trans | -60 | 97.5 | 168.1 | -128.9 | 178.2 | 176.3 | 179.7 | -0.7 | 106.2 | M470 Q474 | M470-R472 PolarHBondContact O-N 3.24Å; R472-Q474 PolarHBondContact O-N 3.35Å |
| 473 | V | 23.9 | Very low | 24.8 | Very low | 106 Ų | 106 | 150 Ų | 150 | 64% | 0.642 | 77% | 0.767 | S | S | * | * | | | trans | -68.9 | 91.2 | 169.2 | -176 | 0 | 0 | 0 | 0 | 105.8 | R471 F475 | R471-V473 VanDerWaalsContact C-N 3.3Å; R471-V473 PolarHBondContact O-N 3.09Å; V473-F475 HydrophobicContact CG1-CE1 4.44Å; V473-F475 HydrophobicContact CG1-CE2 4.15Å; V473-F475 HydrophobicContact CG1-CZ 4.1Å; V473-F475 PolarHBondContact O-N 3.21Å; V473-F475 VanDerWaalsContact O-N 3.13Å |
| 474 | Q | 23.6 | Very low | 25.1 | Very low | 165 Ų | 165 | 151.7 Ų | 151.7 | 77% | 0.771 | 77% | 0.768 | S | S | * | * | | | trans | -69.7 | 103.5 | 168.5 | -105.2 | 176.1 | -13.1 | 0 | 0 | 106.7 | R472 T476 | R472-Q474 PolarHBondContact O-N 3.35Å; Q474-T476 PolarHBondContact O-N 3.04Å; Q474-T476 VanDerWaalsContact O-N 3.08Å |
| 475 | F | 24.8 | Very low | 25.2 | Very low | 173 Ų | 173 | 154.3 Ų | 154.3 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | | | trans | -65.7 | 106.2 | 160.8 | -64.5 | -84.5 | 0 | 0 | 0 | 106.2 | V473 R477 | V473-F475 HydrophobicContact CG1-CE1 4.44Å; V473-F475 HydrophobicContact CG1-CE2 4.15Å; V473-F475 HydrophobicContact CG1-CZ 4.1Å; V473-F475 PolarHBondContact O-N 3.21Å; V473-F475 VanDerWaalsContact O-N 3.13Å; F475-R477 PolarHBondContact O-N 3.12Å |
| 476 | T | 22.4 | Very low | 25.5 | Very low | 103 Ų | 103 | 149.4 Ų | 149.4 | 63% | 0.632 | 77% | 0.766 | S | S | * | * | | | trans | -56.9 | 128.2 | 166.8 | 41.7 | 0 | 0 | 0 | 0 | 106.9 | Q474 D478 | Q474-T476 PolarHBondContact O-N 3.04Å; Q474-T476 VanDerWaalsContact O-N 3.08Å; T476-D478 WeakPolarHBondContact CB-OD1 3.43Å; T476-D478 PolarHBondContact O-N 3.36Å; T476-D478 PolarHBondContact OG1-OD1 2.88Å |
| 477 | R | 24.3 | Very low | 25.7 | Very low | 247 Ų | 247 | 148.3 Ų | 148.3 | 93% | 0.932 | 76% | 0.764 | S | S | * | * | | | trans | -65.4 | 75.3 | 161 | -83.6 | 179.4 | 169.7 | 163.2 | -3.7 | 105.7 | F475 T479 | F475-R477 PolarHBondContact O-N 3.12Å; R477-T479 PolarHBondContact O-N 3.36Å |
| 478 | D | 27.6 | Very low | 26 | Very low | 126 Ų | 126 | 150.8 Ų | 150.8 | 67% | 0.674 | 77% | 0.774 | S | S | * | * | | | trans | -62.8 | 104.1 | 167.7 | -73.3 | -1.9 | 0 | 0 | 0 | 104.3 | T476 V480 | T476-D478 WeakPolarHBondContact CB-OD1 3.43Å; T476-D478 PolarHBondContact O-N 3.36Å; T476-D478 PolarHBondContact OG1-OD1 2.88Å; D478-V480 PolarHBondContact O-N 3Å |
| 479 | T | 24.4 | Very low | 26 | Very low | 120 Ų | 120 | 147.4 Ų | 147.4 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | | | trans | -21 | 108.6 | 173.5 | 41.9 | 0 | 0 | 0 | 0 | 110.1 | R477 R481 | R477-T479 PolarHBondContact O-N 3.36Å; T479-R481 PolarHBondContact O-N 3.04Å |
| 480 | V | 29 | Very low | 26.2 | Very low | 139 Ų | 139 | 148.6 Ų | 148.6 | 84% | 0.842 | 78% | 0.782 | S | S | * | * | | | trans | -55.9 | 92.4 | 154.5 | -178.1 | 0 | 0 | 0 | 0 | 103.5 | D478 S482 | D478-V480 PolarHBondContact O-N 3Å; V480-S482 VanDerWaalsContact C-N 3.27Å; V480-S482 PolarHBondContact O-N 3.01Å |
| 481 | R | 25.2 | Very low | 26.4 | Very low | 223 Ų | 223 | 143.5 Ų | 143.5 | 84% | 0.842 | 77% | 0.77 | S | S | * | * | | | trans | -53.3 | 110.3 | 162.3 | -91.3 | -176.8 | 164.4 | 149.3 | -3.1 | 102.6 | T479 A483 | T479-R481 PolarHBondContact O-N 3.04Å; R481-A483 PolarHBondContact O-N 2.81Å |
| 482 | S | 26.4 | Very low | 26.6 | Very low | 105 Ų | 105 | 137.5 Ų | 137.5 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | | | trans | -41.7 | 99 | 164.3 | 41.3 | 0 | 0 | 0 | 0 | 106.1 | V480 D484 | V480-S482 VanDerWaalsContact C-N 3.27Å; V480-S482 PolarHBondContact O-N 3.01Å; S482-D484 PolarHBondContact O-N 3.05Å |
| 483 | A | 30.4 | Very low | 27 | Very low | 88 Ų | 88 | 135.3 Ų | 135.3 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | trans | -59.2 | 122.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 104.2 | R481 L485 | R481-A483 PolarHBondContact O-N 2.81Å; A483-L485 PolarHBondContact O-N 3.39Å; A483-L485 VanDerWaalsContact O-N 3.16Å |
| 484 | D | 26.9 | Very low | 27.2 | Very low | 141 Ų | 141 | 137 Ų | 137 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | | | trans | -42.8 | 124.7 | -178.3 | -82.6 | -48.7 | 0 | 0 | 0 | 109.5 | S482 D486 | S482-D484 PolarHBondContact O-N 3.05Å; D484-D486 PolarHBondContact O-N 3.03Å |
| 485 | L | 30.7 | Very low | 27.3 | Very low | 174 Ų | 174 | 132.5 Ų | 132.5 | 91% | 0.911 | 77% | 0.77 | S | S | * | * | | | trans | -70.6 | 53 | 171.8 | -70.8 | 163.3 | 0 | 0 | 0 | 108.9 | A483 G487 | A483-L485 PolarHBondContact O-N 3.39Å; A483-L485 VanDerWaalsContact O-N 3.16Å; L485-G487 PolarHBondContact O-N 3.03Å |
| 486 | D | 30.4 | Very low | 27.2 | Very low | 132 Ų | 132 | 129 Ų | 129 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | trans | -79 | 85.4 | 167.7 | -80.8 | -16 | 0 | 0 | 0 | 106.8 | D484 N488 | D484-D486 PolarHBondContact O-N 3.03Å; D486-N488 PolarHBondContact O-N 3.03Å |
| 487 | G | 31.7 | Very low | 27.4 | Very low | 74 Ų | 74 | 131.8 Ų | 131.8 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | 30.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | L485 | L485-G487 PolarHBondContact O-N 3.03Š|
| 488 | N | 29.5 | Very low | 27.5 | Very low | 169 Ų | 169 | 126.2 Ų | 126.2 | 90% | 0.904 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.9 | 5.5 | 178.5 | -84.1 | -3.5 | 0 | 0 | 0 | 114.8 | D486 | D486-N488 PolarHBondContact O-N 3.03Š|
| 489 | S | 25.4 | Very low | 27.7 | Very low | 101 Ų | 101 | 129.8 Ų | 129.8 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | | | trans | -100.2 | 116.8 | 171 | 80.8 | 0 | 0 | 0 | 0 | 110.6 | G491 | S489-G491 PolarHBondContact O-N 3.24Š|
| 490 | S | 27.5 | Very low | 27.8 | Very low | 129 Ų | 129 | 126.7 Ų | 126.7 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | | | trans | -66.8 | 65.6 | 159.1 | 55.9 | 0 | 0 | 0 | 0 | 108.4 | S492 | S490-S492 PolarHBondContact O-N 3.32Å; S490-S492 VanDerWaalsContact O-N 3.13Å |
| 491 | G | 26 | Very low | 27.8 | Very low | 55 Ų | 55 | 125.6 Ų | 125.6 | 57% | 0.567 | 77% | 0.77 | S | S | * | * | | | trans | -70.4 | 105.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | S489 L493 | S489-G491 PolarHBondContact O-N 3.24Å; G491-L493 PolarHBondContact O-N 3.1Å |
| 492 | S | 27 | Very low | 28.1 | Very low | 97 Ų | 97 | 121.1 Ų | 121.1 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | | | trans | -45.9 | 127.8 | 169.7 | -175.2 | 0 | 0 | 0 | 0 | 109.7 | S490 D494 | S490-S492 PolarHBondContact O-N 3.32Å; S490-S492 VanDerWaalsContact O-N 3.13Å; S492-D494 PolarHBondContact O-N 3.03Å |
| 493 | L | 29.6 | Very low | 28.3 | Very low | 175 Ų | 175 | 120.1 Ų | 120.1 | 92% | 0.916 | 75% | 0.752 | S | S | * | * | | | trans | -69.3 | 51.6 | 172 | -76.6 | 159.9 | 0 | 0 | 0 | 110.6 | G491 G495 | G491-L493 PolarHBondContact O-N 3.1Å; L493-G495 PolarHBondContact O-N 3.48Å |
| 494 | D | 28.2 | Very low | 28.4 | Very low | 141 Ų | 141 | 123 Ų | 123 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | | | trans | -79 | 82.4 | 161.2 | -92.2 | -33.1 | 0 | 0 | 0 | 107 | S492 S496 | S492-D494 PolarHBondContact O-N 3.03Å; D494-S496 PolarHBondContact O-N 2.95Å |
| 495 | G | 25.9 | Very low | 28.7 | Very low | 70 Ų | 70 | 121.2 Ų | 121.2 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | | | trans | -61.6 | 77.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109 | L493 L497 | L493-G495 PolarHBondContact O-N 3.48Å; G495-L497 PolarHBondContact O-N 3.44Å |
| 496 | S | 23.6 | Very low | 28.8 | Very low | 101 Ų | 101 | 116.5 Ų | 116.5 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | | | trans | -60.8 | 90.4 | 162.2 | 178.5 | 0 | 0 | 0 | 0 | 106 | D494 V498 | D494-S496 PolarHBondContact O-N 2.95Å; S496-V498 PolarHBondContact O-N 3.2Å |
| 497 | L | 26.7 | Very low | 28.8 | Very low | 161 Ų | 161 | 115 Ų | 115 | 84% | 0.843 | 73% | 0.733 | S | S | * | * | | | trans | -54.2 | 101.6 | 164 | -73.3 | 167.1 | 0 | 0 | 0 | 105.1 | G495 K499 | G495-L497 PolarHBondContact O-N 3.44Å; L497-K499 VanDerWaalsContact C-N 3.34Å; L497-K499 PolarHBondContact O-N 2.9Å |
| 498 | V | 25.4 | Very low | 28.7 | Very low | 129 Ų | 129 | 117.2 Ų | 117.2 | 78% | 0.782 | 73% | 0.728 | S | S | * | * | | | trans | -50.3 | 108.4 | 170.6 | 179.8 | 0 | 0 | 0 | 0 | 104.5 | S496 G500 | S496-V498 PolarHBondContact O-N 3.2Å; V498-G500 PolarHBondContact O-N 2.99Å |
| 499 | K | 32.2 | Very low | 28.7 | Very low | 201 Ų | 201 | 113.2 Ų | 113.2 | 87% | 0.874 | 71% | 0.706 | S | S | * | * | | | trans | -60 | 89.8 | 169.7 | -83.8 | 179.6 | 175.3 | 174.7 | 0 | 105 | L497 S501 | L497-K499 VanDerWaalsContact C-N 3.34Å; L497-K499 PolarHBondContact O-N 2.9Å; K499-S501 PolarHBondContact O-N 2.96Å |
| 500 | G | 26.9 | Very low | 28.7 | Very low | 55 Ų | 55 | 118.8 Ų | 118.8 | 57% | 0.567 | 71% | 0.711 | S | S | * | * | | | trans | -50 | 119.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | V498 I502 | V498-G500 PolarHBondContact O-N 2.99Å; G500-I502 PolarHBondContact O-N 2.86Å |
| 501 | S | 28.1 | Very low | 28.6 | Very low | 116 Ų | 116 | 121.1 Ų | 121.1 | 81% | 0.811 | 71% | 0.708 | S | S | * | * | | | trans | -55.7 | 102.6 | 175.8 | 46.5 | 0 | 0 | 0 | 0 | 107.5 | K499 | K499-S501 PolarHBondContact O-N 2.96Š|
| 502 | I | 31.3 | Very low | 28.7 | Very low | 130 Ų | 130 | 121.8 Ų | 121.8 | 67% | 0.667 | 71% | 0.708 | S | S | * | * | | | trans | -61.5 | 124.4 | 178.2 | -59 | 169.6 | 0 | 0 | 0 | 106.1 | G500 T504 | G500-I502 PolarHBondContact O-N 2.86Å; I502-T504 PolarHBondContact O-N 2.92Å |
| 503 | P | 30.8 | Very low | 28.6 | Very low | 83 Ų | 83 | 124.7 Ų | 124.7 | 54% | 0.539 | 71% | 0.709 | S | S | . | * | | | trans | -56.4 | 116.1 | 175.8 | 20.1 | -29 | 0 | 0 | 0 | 108.4 | S505 | P503-S505 PolarHBondContact O-N 2.92Š|
| 504 | T | 33.2 | Very low | 28.5 | Very low | 148 Ų | 148 | 123 Ų | 123 | 91% | 0.908 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 2.4 | -177.4 | 43.6 | 0 | 0 | 0 | 0 | 113.3 | I502 | I502-T504 PolarHBondContact O-N 2.92Š|
| 505 | S | 32.1 | Very low | 28.3 | Very low | 105 Ų | 105 | 121.7 Ų | 121.7 | 73% | 0.734 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | 0.8 | -168 | 52.5 | 0 | 0 | 0 | 0 | 115.2 | P503 | P503-S505 PolarHBondContact O-N 2.92Š|
| 506 | D | 33 | Very low | 28.2 | Very low | 74 Ų | 74 | 123.9 Ų | 123.9 | 40% | 0.396 | 70% | 0.699 | S | S | . | * | | | trans | -136.5 | 104.8 | 177.7 | -155.7 | -26.2 | 0 | 0 | 0 | 113.3 | N508 L509 | D506-N508 PolarHBondContact O-N 3.16Å; D506-N508 WeakPolarHBondContact OD1-CB 3.42Å; D506-N508 PolarHBondContact OD1-N 2.78Å; D506-N508 VanDerWaalsContact OD1-N 3.08Å; D506-L509 HydrophobicContact CB-CD1 4.22Å; D506-L509 HydrophobicContact CB-CG 4.42Å; D506-L509 PolarHBondContact O-N 2.87Å |
| 507 | P | 30.7 | Very low | 28.4 | Very low | 101 Ų | 101 | 127.4 Ų | 127.4 | 66% | 0.656 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -64.8 | -20 | 177.7 | 24.7 | -30.7 | 0 | 0 | 0 | 113.2 | L509 R510 | P507-L509 VanDerWaalsContact C-N 3.26Å; P507-L509 PolarHBondContact O-N 2.99Å; P507-R510 PolarHBondContact O-N 2.95Å |
| 508 | N | 30 | Very low | 28.3 | Very low | 121 Ų | 121 | 124.2 Ų | 124.2 | 65% | 0.647 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -69.7 | -25.1 | 177.4 | -69.6 | -29.6 | 0 | 0 | 0 | 112.2 | D506 R510 Q511 | D506-N508 PolarHBondContact O-N 3.16Å; D506-N508 WeakPolarHBondContact OD1-CB 3.42Å; D506-N508 PolarHBondContact OD1-N 2.78Å; D506-N508 VanDerWaalsContact OD1-N 3.08Å; N508-R510 VanDerWaalsContact C-N 3.3Å; N508-R510 PolarHBondContact O-N 2.86Å; N508-Q511 PolarHBondContact O-N 3.26Å |
| 509 | L | 28.8 | Very low | 28.3 | Very low | 85 Ų | 85 | 125.8 Ų | 125.8 | 45% | 0.445 | 71% | 0.705 | S | S | . | * | G | 310 helix | trans | -74.1 | -18.5 | 174.6 | -73.6 | 172.6 | 0 | 0 | 0 | 113.4 | D506 P507 Q511 A512 | D506-L509 HydrophobicContact CB-CD1 4.22Å; D506-L509 HydrophobicContact CB-CG 4.42Å; D506-L509 PolarHBondContact O-N 2.87Å; P507-L509 VanDerWaalsContact C-N 3.26Å; P507-L509 PolarHBondContact O-N 2.99Å; L509-Q511 PolarHBondContact O-N 2.91Å; L509-A512 PolarHBondContact O-N 3.42Å |
| 510 | R | 25.4 | Very low | 28.1 | Very low | 218 Ų | 218 | 120.4 Ų | 120.4 | 82% | 0.823 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -64.9 | -24.9 | 174.4 | -81.9 | -171 | 169.7 | -153.3 | -1.4 | 112.6 | P507 N508 | P507-R510 PolarHBondContact O-N 2.95Å; N508-R510 VanDerWaalsContact C-N 3.3Å; N508-R510 PolarHBondContact O-N 2.86Å |
| 511 | Q | 26.9 | Very low | 28.1 | Very low | 177 Ų | 177 | 121.8 Ų | 121.8 | 83% | 0.827 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -82 | -15.6 | 177.1 | -82.9 | -176.3 | -12.5 | 0 | 0 | 113.9 | N508 L509 | N508-Q511 PolarHBondContact O-N 3.26Å; L509-Q511 PolarHBondContact O-N 2.91Å |
| 512 | A | 26.8 | Very low | 28.1 | Very low | 70 Ų | 70 | 125.8 Ų | 125.8 | 58% | 0.579 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -89.5 | -5.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | L509 | L509-A512 PolarHBondContact O-N 3.42Š|
| 513 | F | 25.8 | Very low | 27.8 | Very low | 157 Ų | 157 | 128.6 Ų | 128.6 | 69% | 0.689 | 70% | 0.703 | S | S | * | * | | | trans | -128.6 | 34 | -162.7 | -104.3 | -83.9 | 0 | 0 | 0 | 117 | | |
| 514 | I | 27.2 | Very low | 27.5 | Very low | 140 Ų | 140 | 130.1 Ų | 130.1 | 72% | 0.718 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -103 | -0.2 | 174.1 | -61.5 | 178.7 | 0 | 0 | 0 | 113.4 | | |
| 515 | C | 23.5 | Very low | 27.1 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 76% | 0.764 | 71% | 0.705 | S | S | * | * | | | trans | -104.5 | 41.8 | 177.5 | -70.3 | 0 | 0 | 0 | 0 | 114 | Q517 | C515-Q517 PolarHBondContact O-N 2.85Å; C515-Q517 VanDerWaalsContact O-N 3.13Å |
| 516 | T | 23.6 | Very low | 26.7 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 71% | 0.712 | 70% | 0.699 | S | S | * | * | | | trans | -82.1 | 75.8 | 152.9 | 52.1 | 0 | 0 | 0 | 0 | 107.5 | A518 | T516-A518 PolarHBondContact O-N 3.19Š|
| 517 | Q | 28 | Very low | 26.2 | Very low | 175 Ų | 175 | 135.4 Ų | 135.4 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | | | trans | -54.3 | 129 | 161.1 | -77.7 | -177.1 | -8.4 | 0 | 0 | 107.1 | C515 L519 | C515-Q517 PolarHBondContact O-N 2.85Å; C515-Q517 VanDerWaalsContact O-N 3.13Å; Q517-L519 PolarHBondContact O-N 3Å |
| 518 | A | 24.3 | Very low | 26 | Very low | 95 Ų | 95 | 138.6 Ų | 138.6 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | | | trans | -45.3 | 116.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | T516 | T516-A518 PolarHBondContact O-N 3.19Š|
| 519 | L | 25 | Very low | 25.7 | Very low | 162 Ų | 162 | 140.2 Ų | 140.2 | 85% | 0.848 | 74% | 0.738 | S | S | * | * | | | trans | -49.1 | 130.5 | 169.5 | -84 | 155.8 | 0 | 0 | 0 | 106.6 | Q517 A521 | Q517-L519 PolarHBondContact O-N 3Å; L519-A521 PolarHBondContact O-N 2.91Å |
| 520 | P | 29.5 | Very low | 25.6 | Very low | 87 Ų | 87 | 145.5 Ų | 145.5 | 57% | 0.565 | 76% | 0.761 | S | S | * | * | | | trans | -50.6 | 123.4 | 174.9 | -21.4 | 29.4 | 0 | 0 | 0 | 107.2 | Y522 | P520-Y522 HydrophobicContact CB-CD2 4Å; P520-Y522 HydrophobicContact CB-CE2 3.77Å; P520-Y522 HydrophobicContact CG-CE2 4.09Å; P520-Y522 WeakPolarHBondContact O-CD2 3.17Å; P520-Y522 PolarHBondContact O-N 2.9Å |
| 521 | A | 25.5 | Very low | 25.5 | Very low | 84 Ų | 84 | 140.7 Ų | 140.7 | 69% | 0.694 | 76% | 0.76 | S | S | * | * | | | trans | -62.9 | 81.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 106.7 | L519 F523 | L519-A521 PolarHBondContact O-N 2.91Å; A521-F523 PolarHBondContact O-N 2.78Å |
| 522 | Y | 28 | Very low | 25.5 | Very low | 200 Ų | 200 | 137.9 Ų | 137.9 | 78% | 0.784 | 76% | 0.761 | S | S | * | * | | | trans | -65.4 | 91 | 159.2 | -74.9 | -79.6 | 0 | 0 | 0 | 104.1 | P520 T524 | P520-Y522 HydrophobicContact CB-CD2 4Å; P520-Y522 HydrophobicContact CB-CE2 3.77Å; P520-Y522 HydrophobicContact CG-CE2 4.09Å; P520-Y522 WeakPolarHBondContact O-CD2 3.17Å; P520-Y522 PolarHBondContact O-N 2.9Å; Y522-T524 VanDerWaalsContact C-N 3.33Å; Y522-T524 PolarHBondContact O-N 3.45Å |
| 523 | F | 26.7 | Very low | 25.5 | Very low | 190 Ų | 190 | 138.5 Ų | 138.5 | 83% | 0.833 | 77% | 0.765 | S | S | * | * | | | trans | -46.7 | 108.5 | 163.3 | -99.1 | -97.3 | 0 | 0 | 0 | 106.5 | A521 A525 | A521-F523 PolarHBondContact O-N 2.78Å; F523-A525 PolarHBondContact O-N 3.16Å |
| 524 | T | 24.2 | Very low | 25.5 | Very low | 115 Ų | 115 | 138.8 Ų | 138.8 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | | | trans | -54.8 | 92.6 | 160.6 | 34.9 | 0 | 0 | 0 | 0 | 106.2 | Y522 V526 | Y522-T524 VanDerWaalsContact C-N 3.33Å; Y522-T524 PolarHBondContact O-N 3.45Å; T524-V526 PolarHBondContact O-N 2.91Å |
| 525 | A | 24.4 | Very low | 25.6 | Very low | 94 Ų | 94 | 137.7 Ų | 137.7 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | | | trans | -63.9 | 81.4 | 153.7 | 0 | 0 | 0 | 0 | 0 | 105.8 | F523 R527 | F523-A525 PolarHBondContact O-N 3.16Å; A525-R527 VanDerWaalsContact C-N 3.31Å; A525-R527 PolarHBondContact O-N 3.32Å |
| 526 | V | 23.4 | Very low | 25.9 | Very low | 101 Ų | 101 | 140.2 Ų | 140.2 | 61% | 0.612 | 78% | 0.775 | S | S | * | * | | | trans | -62.5 | 100.1 | 170.2 | 178.1 | 0 | 0 | 0 | 0 | 104.9 | T524 Q528 | T524-V526 PolarHBondContact O-N 2.91Å; V526-Q528 HydrophobicContact CG1-CG 3.91Å; V526-Q528 PolarHBondContact O-N 2.91Å |
| 527 | R | 23.5 | Very low | 26 | Very low | 243 Ų | 243 | 142.2 Ų | 142.2 | 92% | 0.917 | 78% | 0.782 | S | S | * | * | | | trans | -65.7 | 83.7 | 162.9 | -77.1 | -172.1 | 171 | -170.2 | -2.2 | 107.4 | A525 N529 | A525-R527 VanDerWaalsContact C-N 3.31Å; A525-R527 PolarHBondContact O-N 3.32Å; R527-N529 VanDerWaalsContact C-N 3.29Å; R527-N529 PolarHBondContact O-N 3.03Å |
| 528 | Q | 25.8 | Very low | 26 | Very low | 168 Ų | 168 | 141.3 Ų | 141.3 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | trans | -81.8 | 87.5 | 156.3 | -89.6 | 179.9 | -2.2 | 0 | 0 | 106.4 | V526 | V526-Q528 HydrophobicContact CG1-CG 3.91Å; V526-Q528 PolarHBondContact O-N 2.91Å |
| 529 | N | 24.3 | Very low | 26.3 | Very low | 155 Ų | 155 | 141.3 Ų | 141.3 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | | | trans | -152.7 | 108.6 | 144.2 | -101.3 | -15.3 | 0 | 0 | 0 | 108.6 | R527 S531 | R527-N529 VanDerWaalsContact C-N 3.29Å; R527-N529 PolarHBondContact O-N 3.03Å; N529-S531 PolarHBondContact O-N 2.96Å |
| 530 | E | 24.8 | Very low | 26.7 | Very low | 196 Ų | 196 | 137.5 Ų | 137.5 | 92% | 0.916 | 77% | 0.769 | S | S | * | * | | | trans | -42.3 | 117.9 | 167.2 | -63.5 | 167.6 | 151.7 | 0 | 0 | 110.9 | | |
| 531 | S | 25.1 | Very low | 26.6 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | | | trans | -152.6 | 126.1 | 134.5 | 51.3 | 0 | 0 | 0 | 0 | 108.6 | N529 A533 | N529-S531 PolarHBondContact O-N 2.96Å; S531-A533 PolarHBondContact O-N 2.89Å |
| 532 | S | 25.9 | Very low | 26.8 | Very low | 119 Ų | 119 | 146.5 Ų | 146.5 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | trans | -56.4 | 112.2 | -179.2 | 54.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 533 | A | 26.7 | Very low | 26.9 | Very low | 82 Ų | 82 | 145.2 Ų | 145.2 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | | | trans | -152 | 84.5 | 151.7 | 0 | 0 | 0 | 0 | 0 | 106.1 | S531 P535 | S531-A533 PolarHBondContact O-N 2.89Å; A533-P535 WeakPolarHBondContact O-CD 3.31Å; A533-P535 VanDerWaalsContact O-CG 3.27Å; A533-P535 WeakPolarHBondContact O-CG 3.11Å; A533-P535 VanDerWaalsContact O-N 3.15Å |
| 534 | I | 25.9 | Very low | 27 | Very low | 164 Ų | 164 | 145.5 Ų | 145.5 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | | | trans | -55.4 | 110.5 | 175.4 | -63 | 164.7 | 0 | 0 | 0 | 108.5 | | |
| 535 | P | 28.6 | Very low | 27.2 | Very low | 117 Ų | 117 | 144.7 Ų | 144.7 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | | | trans | -110.1 | 95.8 | 164.5 | 16.8 | 9.7 | 0 | 0 | 0 | 106 | A533 N537 | A533-P535 WeakPolarHBondContact O-CD 3.31Å; A533-P535 VanDerWaalsContact O-CG 3.27Å; A533-P535 WeakPolarHBondContact O-CG 3.11Å; A533-P535 VanDerWaalsContact O-N 3.15Å; P535-N537 PolarHBondContact O-N 3.3Å |
| 536 | Q | 30.1 | Very low | 27.3 | Very low | 165 Ų | 165 | 149.9 Ų | 149.9 | 77% | 0.771 | 78% | 0.78 | S | S | * | * | | | trans | 5 | 110.3 | 154.7 | -63.2 | -176.2 | -23.2 | 0 | 0 | 116 | N538 | Q536-N538 PolarHBondContact O-N 3.13Š|
| 537 | N | 26.4 | Very low | 27.6 | Very low | 159 Ų | 159 | 152.9 Ų | 152.9 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | | | | 46 | 49.5 | 120.8 | -130.6 | 5.2 | 0 | 0 | 0 | 116.9 | P535 S539 | P535-N537 PolarHBondContact O-N 3.3Å; N537-S539 PolarHBondContact O-N 3.39Å |
| 538 | N | 27.4 | Very low | 27.7 | Very low | 155 Ų | 155 | 149.6 Ų | 149.6 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | | | trans | -83.8 | 97.2 | 156.1 | -83.3 | -39.2 | 0 | 0 | 0 | 107.4 | Q536 A540 | Q536-N538 PolarHBondContact O-N 3.13Å; N538-A540 PolarHBondContact O-N 3.43Å |
| 539 | S | 31.1 | Very low | 27.8 | Very low | 96 Ų | 96 | 150.7 Ų | 150.7 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | | | trans | -68.5 | 62.8 | 160.1 | 65.4 | 0 | 0 | 0 | 0 | 108.8 | N537 L541 | N537-S539 PolarHBondContact O-N 3.39Å; S539-L541 PolarHBondContact O-N 3.25Å |
| 540 | A | 32.6 | Very low | 27.8 | Very low | 82 Ų | 82 | 150.1 Ų | 150.1 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | | | trans | -69.7 | 73.3 | 153.7 | 0 | 0 | 0 | 0 | 0 | 105.4 | N538 R542 | N538-A540 PolarHBondContact O-N 3.43Å; A540-R542 PolarHBondContact O-N 3.12Å |
| 541 | L | 27.5 | Very low | 27.9 | Very low | 149 Ų | 149 | 147.2 Ų | 147.2 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | | | trans | -46.5 | 99.3 | 156.5 | -93.7 | 143.7 | 0 | 0 | 0 | 104.3 | S539 E543 | S539-L541 PolarHBondContact O-N 3.25Å; L541-E543 PolarHBondContact O-N 2.87Å |
| 542 | R | 31.1 | Very low | 28 | Very low | 210 Ų | 210 | 150.3 Ų | 150.3 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | | | trans | -63.1 | 93.8 | 168.3 | -79.5 | -174 | 172.5 | -171.3 | -1.6 | 104.3 | A540 Y544 | A540-R542 PolarHBondContact O-N 3.12Å; R542-Y544 VanDerWaalsContact O-CD2 3.26Å; R542-Y544 WeakPolarHBondContact O-CD2 3.48Å; R542-Y544 PolarHBondContact O-N 2.97Å |
| 543 | E | 29 | Very low | 28.1 | Very low | 173 Ų | 173 | 148.6 Ų | 148.6 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | | | trans | -58.1 | 99.5 | 164.4 | -75.3 | -177.5 | 157.5 | 0 | 0 | 105.4 | L541 S545 | L541-E543 PolarHBondContact O-N 2.87Å; E543-S545 VanDerWaalsContact C-N 3.3Å; E543-S545 PolarHBondContact O-N 3.46Å |
| 544 | Y | 29.9 | Very low | 28.3 | Very low | 197 Ų | 197 | 152.8 Ų | 152.8 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | trans | -60.1 | 102.8 | 167 | -68.8 | -88.4 | 0 | 0 | 0 | 105.5 | R542 R546 | R542-Y544 VanDerWaalsContact O-CD2 3.26Å; R542-Y544 WeakPolarHBondContact O-CD2 3.48Å; R542-Y544 PolarHBondContact O-N 2.97Å; Y544-R546 VanDerWaalsContact C-N 3.33Å; Y544-R546 PolarHBondContact O-N 3.4Å |
| 545 | S | 27.5 | Very low | 28.5 | Very low | 97 Ų | 97 | 155.3 Ų | 155.3 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | | | trans | -53.1 | 99.5 | 173.1 | -62.2 | 0 | 0 | 0 | 0 | 108.2 | E543 F547 | E543-S545 VanDerWaalsContact C-N 3.3Å; E543-S545 PolarHBondContact O-N 3.46Å; S545-F547 WeakPolarHBondContact O-CD2 3.31Å; S545-F547 PolarHBondContact O-N 3.23Å |
| 546 | R | 26.7 | Very low | 28.5 | Very low | 204 Ų | 204 | 157.3 Ų | 157.3 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | | | trans | -72.5 | 108.6 | 174 | -69.5 | -177.6 | -173.4 | -176.9 | 0.4 | 106.2 | Y544 H548 | Y544-R546 VanDerWaalsContact C-N 3.33Å; Y544-R546 PolarHBondContact O-N 3.4Å; R546-H548 PolarHBondContact O-CD2 3.22Å; R546-H548 PolarHBondContact O-N 3.36Å |
| 547 | F | 28.9 | Very low | 28.4 | Very low | 163 Ų | 163 | 156.8 Ų | 156.8 | 72% | 0.715 | 79% | 0.793 | S | S | * | * | | | trans | -66.1 | 115.8 | 170.8 | -68.8 | -85.9 | 0 | 0 | 0 | 108.2 | S545 Y549 | S545-F547 WeakPolarHBondContact O-CD2 3.31Å; S545-F547 PolarHBondContact O-N 3.23Å; F547-Y549 HydrophobicContact CB-CD1 4.31Å; F547-Y549 HydrophobicContact CB-CE1 3.67Å |
| 548 | H | 26.3 | Very low | 28.5 | Very low | 174 Ų | 174 | 156.7 Ų | 156.7 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | | | trans | -91.8 | 115.4 | 170.5 | -71.8 | -83.7 | 0 | 0 | 0 | 108 | R546 | R546-H548 PolarHBondContact O-CD2 3.22Å; R546-H548 PolarHBondContact O-N 3.36Å |
| 549 | Y | 28.6 | Very low | 28.6 | Very low | 191 Ų | 191 | 156.8 Ų | 156.8 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | | | trans | -102.6 | 119.8 | 168.2 | -6.8 | -87 | 0 | 0 | 0 | 107.8 | F547 | F547-Y549 HydrophobicContact CB-CD1 4.31Å; F547-Y549 HydrophobicContact CB-CE1 3.67Å |
| 550 | T | 24.6 | Very low | 28.4 | Very low | 143 Ų | 143 | 160.6 Ų | 160.6 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | | | trans | -90.8 | 112.8 | 165.1 | 12.3 | 0 | 0 | 0 | 0 | 107.5 | | |
| 551 | V | 26.1 | Very low | 28.1 | Very low | 136 Ų | 136 | 165.9 Ų | 165.9 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | | | trans | -88.8 | 111.6 | 167.8 | -176.9 | 0 | 0 | 0 | 0 | 106.2 | | |
| 552 | Q | 26.9 | Very low | 28.2 | Very low | 181 Ų | 181 | 167.1 Ų | 167.1 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | | | trans | -94.4 | 111.8 | 172.9 | -163 | 166.8 | -9 | 0 | 0 | 106.6 | | |
| 553 | S | 27.2 | Very low | 27.9 | Very low | 83 Ų | 83 | 163.8 Ų | 163.8 | 58% | 0.58 | 81% | 0.805 | S | S | * | * | | | trans | -101.6 | 132.7 | 172.8 | 62.5 | 0 | 0 | 0 | 0 | 109.4 | L555 | S553-L555 PolarHBondContact O-N 3.37Š|
| 554 | D | 31.3 | Very low | 27.8 | Very low | 169 Ų | 169 | 163 Ų | 163 | 90% | 0.904 | 81% | 0.805 | S | S | * | * | | | trans | -74.6 | 35.8 | 175.8 | -65.3 | -26.4 | 0 | 0 | 0 | 113.2 | | |
| 555 | L | 30 | Very low | 27.7 | Very low | 218 Ų | 218 | 159.9 Ų | 159.9 | 100% | 1.141 | 81% | 0.808 | S | S | * | * | | | trans | -89 | 0 | 177.8 | -95.2 | 160.8 | 0 | 0 | 0 | 111.8 | S553 | S553-L555 PolarHBondContact O-N 3.37Š|