| 1 | M | 41.2 | Very low | 55.7 | Low | 243 Ų | 243 | 154.5 Ų | 154.5 | 100% | 1.197 | 85% | 0.85 | S | S | * | * | | | | 0 | 135.8 | 0 | -56.3 | 92.6 | 90.4 | 0 | 0 | 108.9 | | |
| 2 | S | 44.5 | Very low | 56.5 | Low | 128 Ų | 128 | 153.5 Ų | 153.5 | 90% | 0.895 | 84% | 0.841 | S | S | * | * | | | trans | -99.2 | 116.3 | -178.5 | -167.5 | 0 | 0 | 0 | 0 | 111.4 | G4 | S2-G4 PolarHBondContact O-N 3.34Š|
| 3 | G | 46.9 | Very low | 56 | Low | 73 Ų | 73 | 151.9 Ų | 151.9 | 75% | 0.753 | 84% | 0.839 | S | S | * | * | | | trans | -84.2 | 93.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K5 | G3-K5 PolarHBondContact O-N 3.49Š|
| 4 | G | 55.3 | Low | 56.1 | Low | 70 Ų | 70 | 147.3 Ų | 147.3 | 72% | 0.722 | 82% | 0.822 | S | S | * | * | | | trans | -69 | 115.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S2 K6 | S2-G4 PolarHBondContact O-N 3.34Å; G4-K6 PolarHBondContact O-N 3.34Å |
| 5 | K | 57 | Low | 56.1 | Low | 208 Ų | 208 | 145.3 Ų | 145.3 | 90% | 0.904 | 82% | 0.815 | S | S | * | * | | | trans | -69.7 | 113.7 | 174.3 | -65.3 | -179.7 | -179.6 | 179.5 | 0 | 110.4 | G3 K7 | G3-K5 PolarHBondContact O-N 3.49Å; K5-K7 PolarHBondContact O-N 3.33Å |
| 6 | K | 63.5 | Low | 55.7 | Low | 207 Ų | 207 | 143.2 Ų | 143.2 | 90% | 0.9 | 81% | 0.807 | S | S | * | * | | | trans | -72.6 | 110.5 | 175.1 | -66.4 | -178.9 | -179.8 | 178.9 | 0 | 110 | G4 | G4-K6 PolarHBondContact O-N 3.34Š|
| 7 | K | 63.4 | Low | 55.7 | Low | 194 Ų | 194 | 142.4 Ų | 142.4 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | | | trans | -71.6 | 124.5 | 169.3 | 51.4 | 166.2 | 179.5 | -82.5 | 0 | 109.9 | K5 | K5-K7 PolarHBondContact O-N 3.33Š|
| 8 | S | 56.3 | Low | 55.1 | Low | 112 Ų | 112 | 142 Ų | 142 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | | | trans | -81 | 117.3 | 173.3 | -175.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 9 | S | 61.1 | Low | 54.5 | Low | 104 Ų | 104 | 143.8 Ų | 143.8 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | trans | -118.9 | 125.3 | 174 | 57.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 10 | F | 56.8 | Low | 54.3 | Low | 180 Ų | 180 | 146.2 Ų | 146.2 | 79% | 0.789 | 80% | 0.801 | S | S | * | * | | | trans | -112 | 133.1 | 169.2 | 37.8 | -93 | 0 | 0 | 0 | 109.2 | | |
| 11 | Q | 66.4 | Low | 53.9 | Low | 180 Ų | 180 | 141.1 Ų | 141.1 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | | | trans | -102.1 | 133.7 | 173.7 | -72.7 | 179.7 | -38.2 | 0 | 0 | 109.1 | T13 | Q11-T13 PolarHBondContact O-N 3.46Š|
| 12 | I | 65.9 | Low | 54.3 | Low | 143 Ų | 143 | 135.8 Ų | 135.8 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | | | trans | -84.3 | 112.7 | 171.9 | -59.1 | 174.6 | 0 | 0 | 0 | 106.9 | S14 V15 | I12-S14 WeakPolarHBondContact CG2-O 3.43Å; I12-V15 HydrophobicContact CG2-CG2 4.16Å |
| 13 | T | 50 | Low | 53.9 | Low | 133 Ų | 133 | 133.1 Ų | 133.1 | 82% | 0.816 | 76% | 0.759 | S | S | * | * | | | trans | -88.5 | -15 | -172.3 | 48.4 | 0 | 0 | 0 | 0 | 114.2 | Q11 | Q11-T13 PolarHBondContact O-N 3.46Š|
| 14 | S | 56.8 | Low | 53.2 | Low | 87 Ų | 87 | 135.5 Ų | 135.5 | 61% | 0.608 | 76% | 0.764 | S | S | * | * | | | trans | -158.2 | 154.9 | 171.5 | 55.8 | 0 | 0 | 0 | 0 | 111.6 | I12 | I12-S14 WeakPolarHBondContact CG2-O 3.43Š|
| 15 | V | 56.1 | Low | 52.8 | Low | 117 Ų | 117 | 138.5 Ų | 138.5 | 71% | 0.709 | 77% | 0.771 | S | S | * | * | | | trans | -129.7 | 107.5 | 167 | 178.9 | 0 | 0 | 0 | 0 | 105.8 | I12 T17 | I12-V15 HydrophobicContact CG2-CG2 4.16Å; V15-T17 HydrophobicContact CG1-CG2 4.21Å |
| 16 | T | 50.4 | Low | 51.8 | Low | 112 Ų | 112 | 132.1 Ų | 132.1 | 69% | 0.687 | 76% | 0.764 | S | S | * | * | | | trans | -80.1 | 127.2 | 172.9 | 60.4 | 0 | 0 | 0 | 0 | 108.9 | D18 | T16-D18 VanDerWaalsContact CB-OD1 3.26Å; T16-D18 WeakPolarHBondContact CB-OD1 3.45Å; T16-D18 PolarHBondContact OG1-OD1 3.38Å; T16-D18 VanDerWaalsContact OG1-OD1 3.11Å |
| 17 | T | 55.6 | Low | 50.4 | Low | 130 Ų | 130 | 128.6 Ų | 128.6 | 80% | 0.798 | 76% | 0.759 | S | S | * | * | | | trans | -114.2 | 55.3 | 174 | 58.6 | 0 | 0 | 0 | 0 | 109.6 | V15 Y19 | V15-T17 HydrophobicContact CG1-CG2 4.21Å; T17-Y19 PolarHBondContact O-N 2.96Å |
| 18 | D | 44.7 | Very low | 48.9 | Very low | 135 Ų | 135 | 124.4 Ų | 124.4 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | | | trans | -80.8 | 84.2 | 172.6 | 52.7 | -59.1 | 0 | 0 | 0 | 110.3 | T16 | T16-D18 VanDerWaalsContact CB-OD1 3.26Å; T16-D18 WeakPolarHBondContact CB-OD1 3.45Å; T16-D18 PolarHBondContact OG1-OD1 3.38Å; T16-D18 VanDerWaalsContact OG1-OD1 3.11Å |
| 19 | Y | 43.4 | Very low | 48 | Very low | 176 Ų | 176 | 126.5 Ų | 126.5 | 69% | 0.69 | 76% | 0.757 | S | S | * | * | | | trans | -126.5 | 81 | 168.2 | -169.9 | -95.9 | 0 | 0 | 0 | 110.2 | T17 G21 K76 | T17-Y19 PolarHBondContact O-N 2.96Å; Y19-G21 PolarHBondContact O-N 3.49Å; Y19-K76 PolarHBondContact OH-NZ 2.96Å |
| 20 | E | 50.1 | Low | 47.9 | Very low | 191 Ų | 191 | 126.7 Ų | 126.7 | 89% | 0.893 | 76% | 0.756 | S | S | * | * | | | trans | -72.6 | 114.1 | 162.4 | -89.3 | -90.8 | 90.9 | 0 | 0 | 108.8 | | |
| 21 | G | 46.9 | Very low | 47.5 | Very low | 40 Ų | 40 | 123.7 Ų | 123.7 | 41% | 0.412 | 76% | 0.755 | S | S | . | * | | | trans | -85.4 | 148.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y19 | Y19-G21 PolarHBondContact O-N 3.49Š|
| 22 | P | 48.5 | Very low | 46 | Very low | 132 Ų | 132 | 121.3 Ų | 121.3 | 86% | 0.857 | 75% | 0.753 | S | S | * | * | | | trans | -66.4 | 137.2 | 176.4 | 29.3 | -34.2 | 0 | 0 | 0 | 110.8 | | |
| 23 | G | 36.3 | Very low | 45 | Very low | 72 Ų | 72 | 120.3 Ų | 120.3 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | | | trans | -81.6 | -174.2 | -161.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 24 | S | 32.4 | Very low | 44.4 | Very low | 123 Ų | 123 | 122.8 Ų | 122.8 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | | | trans | -150.5 | 158.9 | 170.5 | -86.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 25 | P | 47.7 | Very low | 44.1 | Very low | 133 Ų | 133 | 124.3 Ų | 124.3 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | | | trans | -81.9 | 154.6 | -143.4 | 31.2 | -36.6 | 0 | 0 | 0 | 114.5 | | |
| 26 | G | 35.9 | Very low | 43.7 | Very low | 74 Ų | 74 | 124.4 Ų | 124.4 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | | | trans | -99.8 | -171.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 27 | T | 32.7 | Very low | 43.3 | Very low | 132 Ų | 132 | 126.2 Ų | 126.2 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | | | trans | -145.8 | 117.8 | 173.9 | 51.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 28 | S | 33 | Very low | 42.2 | Very low | 106 Ų | 106 | 123.3 Ų | 123.3 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | | | trans | 54.6 | 97.8 | 147.3 | 57.8 | 0 | 0 | 0 | 0 | 122 | | |
| 29 | D | 37.9 | Very low | 42.3 | Very low | 157 Ų | 157 | 122.6 Ų | 122.6 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | | | | 38.7 | 159.5 | 108.3 | -82.6 | -35.4 | 0 | 0 | 0 | 122.6 | | |
| 30 | P | 57.4 | Low | 42 | Very low | 108 Ų | 108 | 122 Ų | 122 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | | | cis | -130.8 | -145.4 | -19.3 | 38.8 | -17.7 | 0 | 0 | 0 | 109.7 | | |
| 31 | P | 49.4 | Very low | 41.8 | Very low | 117 Ų | 117 | 118.2 Ų | 118.2 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | | | cis | -135.1 | -161.4 | -11 | 37.4 | -13.9 | 0 | 0 | 0 | 117 | | |
| 32 | T | 34.5 | Very low | 40.9 | Very low | 130 Ų | 130 | 127.8 Ų | 127.8 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | | | trans | -78.2 | 179 | -172.5 | 12.5 | 0 | 0 | 0 | 0 | 117.3 | | |
| 33 | P | 45.3 | Very low | 40.3 | Very low | 121 Ų | 121 | 129 Ų | 129 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | | | cis | -136.8 | 170.8 | 8.3 | 41.3 | -22.4 | 0 | 0 | 0 | 119.3 | | |
| 34 | Q | 36.7 | Very low | 40.9 | Very low | 185 Ų | 185 | 130.8 Ų | 130.8 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | | | trans | -85.3 | -162.4 | 157.9 | -49.7 | -177.3 | -63.7 | 0 | 0 | 109.6 | | |
| 35 | P | 51.1 | Low | 40.7 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | cis | -125.4 | -150.9 | 7.9 | 40.9 | -16.9 | 0 | 0 | 0 | 110.8 | | |
| 36 | P | 47.1 | Very low | 39.8 | Very low | 120 Ų | 120 | 128.6 Ų | 128.6 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | | | cis | -134.6 | -151.3 | -0.4 | 43.9 | -22.9 | 0 | 0 | 0 | 115.6 | | |
| 37 | T | 41.7 | Very low | 39.7 | Very low | 149 Ų | 149 | 133.3 Ų | 133.3 | 91% | 0.914 | 80% | 0.802 | S | S | * | * | | | trans | -134.8 | 160 | -165.2 | 2.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 38 | G | 32.4 | Very low | 40.2 | Very low | 69 Ų | 69 | 132.1 Ų | 132.1 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | | | trans | -166.8 | 157.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 39 | P | 47.1 | Very low | 40.4 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | | | trans | -134.1 | 152.4 | -131.4 | 39 | -23.4 | 0 | 0 | 0 | 121.1 | | |
| 40 | L | 38.6 | Very low | 40.6 | Very low | 163 Ų | 163 | 129.6 Ų | 129.6 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | | | trans | 68.1 | 162.7 | 143.9 | -69.5 | 175 | 0 | 0 | 0 | 119.9 | | |
| 41 | P | 44.1 | Very low | 39.7 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | | | cis | -147.6 | 163.7 | 23.1 | 44.5 | -24.1 | 0 | 0 | 0 | 122.2 | | |
| 42 | R | 30.1 | Very low | 39.7 | Very low | 240 Ų | 240 | 131.8 Ų | 131.8 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | | | trans | 82.7 | 134.8 | 140.4 | -157.2 | 168 | -73.8 | -148.2 | -0.7 | 123.4 | | |
| 43 | L | 35.1 | Very low | 39.5 | Very low | 158 Ų | 158 | 129.4 Ų | 129.4 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | | | trans | -75.9 | -175.1 | 179.7 | -80.2 | 159 | 0 | 0 | 0 | 115.2 | | |
| 44 | P | 48.1 | Very low | 38.9 | Very low | 109 Ų | 109 | 127.2 Ų | 127.2 | 71% | 0.708 | 80% | 0.795 | S | S | * | * | | | cis | -139 | 173 | 6.3 | 39.6 | -20.8 | 0 | 0 | 0 | 118.5 | | |
| 45 | S | 29.5 | Very low | 39.2 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | | | | 141.1 | 133.9 | 125.2 | 63.6 | 0 | 0 | 0 | 0 | 116.4 | | |
| 46 | G | 29.3 | Very low | 38.5 | Very low | 86 Ų | 86 | 126.6 Ų | 126.6 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | | | trans | 119.6 | 94.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 47 | E | 32.7 | Very low | 38.2 | Very low | 172 Ų | 172 | 126.8 Ų | 126.8 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -99.2 | 172.9 | 164.4 | -121.4 | -126.7 | 115.1 | 0 | 0 | 109.8 | S49 | E47-S49 PolarHBondContact OE1-N 3.2Š|
| 48 | P | 43.3 | Very low | 38.3 | Very low | 107 Ų | 107 | 126 Ų | 126 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | | | cis | -132.4 | 174.3 | 9.8 | 41.7 | -24.9 | 0 | 0 | 0 | 117.7 | | |
| 49 | S | 37.3 | Very low | 38.9 | Very low | 86 Ų | 86 | 133.7 Ų | 133.7 | 60% | 0.601 | 80% | 0.802 | S | S | * | * | | | trans | -75.1 | 161.8 | 169.8 | -164.3 | 0 | 0 | 0 | 0 | 112.8 | E47 | E47-S49 PolarHBondContact OE1-N 3.2Š|
| 50 | P | 42.7 | Very low | 38.9 | Very low | 125 Ų | 125 | 135.9 Ų | 135.9 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | | | | -141.4 | 169.4 | 99.6 | 37.4 | -22.7 | 0 | 0 | 0 | 116.7 | | |
| 51 | D | 37.3 | Very low | 39.2 | Very low | 150 Ų | 150 | 130.8 Ų | 130.8 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | | | trans | -61.5 | 164.1 | -162.2 | -88 | -71.5 | 0 | 0 | 0 | 120.7 | | |
| 52 | P | 49.3 | Very low | 39.4 | Very low | 120 Ų | 120 | 130.6 Ų | 130.6 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | | | trans | -86.2 | 124 | -171.9 | 33.9 | -34 | 0 | 0 | 0 | 114.2 | | |
| 53 | G | 30.5 | Very low | 40.6 | Very low | 80 Ų | 80 | 122.8 Ų | 122.8 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | | | trans | -111.2 | 108.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 54 | G | 34 | Very low | 41.5 | Very low | 75 Ų | 75 | 120 Ų | 120 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | | | trans | 68.7 | 101.7 | 149.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | G56 | G54-G56 PolarHBondContact O-N 3.37Š|
| 55 | K | 42 | Very low | 41.3 | Very low | 219 Ų | 219 | 121.5 Ų | 121.5 | 95% | 0.952 | 78% | 0.777 | S | S | * | * | | | trans | -64 | 92.8 | 158.2 | -87.9 | -178.2 | 172.8 | 177.1 | 0 | 110.2 | T57 | K55-T57 PolarHBondContact O-N 3.35Š|
| 56 | G | 35.9 | Very low | 42.7 | Very low | 72 Ų | 72 | 119.5 Ų | 119.5 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | | | trans | -66.9 | 123 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | G54 | G54-G56 PolarHBondContact O-N 3.37Š|
| 57 | T | 41.8 | Very low | 43.9 | Very low | 125 Ų | 125 | 118.3 Ų | 118.3 | 77% | 0.767 | 76% | 0.759 | S | S | * | * | | | trans | -63.5 | 141.4 | 167.7 | 43.2 | 0 | 0 | 0 | 0 | 110.2 | K55 R59 | K55-T57 PolarHBondContact O-N 3.35Å; T57-R59 VanDerWaalsContact C-N 3.29Å; T57-R59 PolarHBondContact O-N 3.01Å |
| 58 | P | 43.2 | Very low | 44.9 | Very low | 133 Ų | 133 | 116.3 Ų | 116.3 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | | | trans | -72.6 | 86.8 | 176.7 | 29.5 | -33.5 | 0 | 0 | 0 | 109.8 | N60 | P58-N60 PolarHBondContact O-N 3.32Š|
| 59 | R | 44.6 | Very low | 45.5 | Very low | 230 Ų | 230 | 115.4 Ų | 115.4 | 87% | 0.868 | 76% | 0.757 | S | S | * | * | | | trans | -62.3 | 127 | 169.5 | 178.1 | 171.6 | 150.6 | -121.7 | -2.4 | 108.5 | T57 G61 | T57-R59 VanDerWaalsContact C-N 3.29Å; T57-R59 PolarHBondContact O-N 3.01Å; R59-G61 PolarHBondContact O-N 2.88Å |
| 60 | N | 48.6 | Very low | 47.1 | Very low | 165 Ų | 165 | 115.4 Ų | 115.4 | 88% | 0.882 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -59.4 | 103.3 | -178.1 | -166.2 | 15.2 | 0 | 0 | 0 | 109.9 | P58 | P58-N60 PolarHBondContact O-N 3.32Š|
| 61 | G | 43.1 | Very low | 48.4 | Very low | 57 Ų | 57 | 120.4 Ų | 120.4 | 59% | 0.588 | 76% | 0.759 | S | S | * | * | | | trans | -157.7 | 146.5 | -169.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R59 | R59-G61 PolarHBondContact O-N 2.88Š|
| 62 | S | 48.7 | Very low | 49.6 | Very low | 109 Ų | 109 | 121.7 Ų | 121.7 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 143.9 | -178.2 | -59.6 | 0 | 0 | 0 | 0 | 112 | | |
| 63 | P | 54.9 | Low | 51.1 | Low | 76 Ų | 76 | 125.1 Ų | 125.1 | 49% | 0.494 | 76% | 0.756 | S | S | . | * | P | Polyproline II helix | trans | -65.4 | 150 | 178.3 | 28.5 | -34.9 | 0 | 0 | 0 | 111.3 | | |
| 64 | P | 55.8 | Low | 53.2 | Low | 98 Ų | 98 | 128.3 Ų | 128.3 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 150.9 | 175 | 28.1 | -34.8 | 0 | 0 | 0 | 111.4 | G66 | P64-G66 PolarHBondContact O-N 3.19Š|
| 65 | P | 44 | Very low | 55.1 | Low | 141 Ų | 141 | 130 Ų | 130 | 92% | 0.916 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 118.8 | -178.1 | 27.2 | -33.9 | 0 | 0 | 0 | 110.8 | | |
| 66 | G | 57.5 | Low | 56.7 | Low | 84 Ų | 84 | 126.1 Ų | 126.1 | 87% | 0.866 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 126.1 | -14.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | P64 | P64-G66 PolarHBondContact O-N 3.19Š|
| 67 | A | 55.1 | Low | 58.4 | Low | 61 Ų | 61 | 127.6 Ų | 127.6 | 50% | 0.504 | 73% | 0.727 | S | S | . | * | S | Bend | trans | -80.9 | 140.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S69 | A67-S69 PolarHBondContact O-N 3.11Š|
| 68 | P | 53.7 | Low | 59.5 | Low | 129 Ų | 129 | 127.1 Ų | 127.1 | 84% | 0.838 | 73% | 0.726 | S | S | * | * | | | trans | -62.9 | 111.6 | 171 | 26.7 | -33 | 0 | 0 | 0 | 108.8 | S70 | P68-S70 PolarHBondContact O-N 3.04Š|
| 69 | S | 56.3 | Low | 60.6 | Low | 89 Ų | 89 | 126.6 Ų | 126.6 | 62% | 0.622 | 71% | 0.712 | S | S | * | * | | | trans | -67 | 110 | -173.8 | 58.7 | 0 | 0 | 0 | 0 | 110.3 | A67 R71 | A67-S69 PolarHBondContact O-N 3.11Å; S69-R71 PolarHBondContact O-N 3.46Å |
| 70 | S | 70.6 | Confident | 61.1 | Low | 86 Ų | 86 | 118.5 Ų | 118.5 | 60% | 0.601 | 70% | 0.701 | S | S | * | * | | | trans | -57.4 | 116.1 | 168.2 | -178.8 | 0 | 0 | 0 | 0 | 108 | P68 F72 | P68-S70 PolarHBondContact O-N 3.04Å; S70-F72 PolarHBondContact O-N 3.34Å; S70-F72 VanDerWaalsContact O-N 3.16Å |
| 71 | R | 69.4 | Low | 61.6 | Low | 229 Ų | 229 | 119 Ų | 119 | 86% | 0.864 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -68.4 | -10.5 | -179.8 | -61.1 | -166.3 | -61.5 | 175.2 | 0.8 | 112.4 | S69 R73 | S69-R71 PolarHBondContact O-N 3.46Å; R71-R73 PolarHBondContact O-N 3.4Å |
| 72 | F | 63.7 | Low | 62.4 | Low | 178 Ų | 178 | 119.9 Ų | 119.9 | 78% | 0.781 | 71% | 0.711 | S | S | * | * | | | trans | -88.8 | 103.5 | 176.4 | -58.9 | -73.8 | 0 | 0 | 0 | 110.2 | S70 | S70-F72 PolarHBondContact O-N 3.34Å; S70-F72 VanDerWaalsContact O-N 3.16Å |
| 73 | R | 79.5 | Confident | 62.9 | Low | 191 Ų | 191 | 120.8 Ų | 120.8 | 72% | 0.721 | 70% | 0.703 | S | S | * | * | | | trans | -93.1 | 115.8 | 167.5 | -64.5 | 180 | -177.9 | -111.6 | 3.5 | 108.4 | R71 V75 | R71-R73 PolarHBondContact O-N 3.4Å; R73-V75 PolarHBondContact O-N 3.3Å |
| 74 | V | 75.6 | Confident | 63.6 | Low | 147 Ų | 147 | 120.8 Ų | 120.8 | 89% | 0.891 | 70% | 0.703 | S | S | * | * | | | trans | -75.5 | 105.4 | 172.6 | -179.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 75 | V | 73.7 | Confident | 64.4 | Low | 110 Ų | 110 | 122.9 Ų | 122.9 | 67% | 0.667 | 70% | 0.7 | S | S | * | * | | | trans | -89 | 116.2 | 176.4 | -177.5 | 0 | 0 | 0 | 0 | 108.8 | R73 L77 | R73-V75 PolarHBondContact O-N 3.3Å; V75-L77 HydrophobicContact CG1-CD1 4.41Å; V75-L77 PolarHBondContact O-N 3.3Å |
| 76 | K | 75.9 | Confident | 65.7 | Low | 138 Ų | 138 | 125 Ų | 125 | 60% | 0.6 | 69% | 0.689 | S | S | * | * | | | trans | -77.1 | 105.1 | 172.5 | -167.2 | 85.8 | 169.7 | -175.2 | 0 | 108 | Y19 | Y19-K76 PolarHBondContact OH-NZ 2.96Š|
| 77 | L | 71.6 | Confident | 66.6 | Low | 103 Ų | 103 | 133.3 Ų | 133.3 | 54% | 0.539 | 70% | 0.695 | S | S | . | * | | | trans | -65.7 | 139 | 173 | -83.6 | 68.8 | 0 | 0 | 0 | 109.6 | V75 H79 Y85 | V75-L77 HydrophobicContact CG1-CD1 4.41Å; V75-L77 PolarHBondContact O-N 3.3Å; L77-H79 PolarHBondContact O-N 3.11Å; L77-H79 PolarHBondContact O-ND1 3.16Å; L77-Y85 VanDerWaalsContact CB-OH 3.26Å; L77-Y85 WeakPolarHBondContact CB-OH 3.36Å; L77-Y85 PolarHBondContact O-OH 2.99Å |
| 78 | P | 63.2 | Low | 67.7 | Low | 116 Ų | 116 | 133 Ų | 133 | 75% | 0.753 | 70% | 0.697 | S | S | * | * | | | trans | -64.2 | 134.7 | 173 | 27.7 | -33.3 | 0 | 0 | 0 | 109.2 | G80 Y85 | P78-G80 VanDerWaalsContact C-N 3.32Å; P78-G80 PolarHBondContact O-N 2.83Å; P78-Y85 PolarHBondContact O-OH 3.43Å |
| 79 | H | 67.1 | Low | 68.9 | Low | 121 Ų | 121 | 137.8 Ų | 137.8 | 56% | 0.56 | 70% | 0.698 | S | S | * | * | | | trans | -78.7 | 84.6 | 179.9 | -66.5 | 39.3 | 0 | 0 | 0 | 108.7 | L77 L81 Y85 | L77-H79 PolarHBondContact O-N 3.11Å; L77-H79 PolarHBondContact O-ND1 3.16Å; H79-L81 PolarHBondContact O-N 2.99Å; H79-Y85 AromaticContact CE1-CE2 3.9Å |
| 80 | G | 55.9 | Low | 69.8 | Low | 61 Ų | 61 | 144.9 Ų | 144.9 | 63% | 0.629 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -66.4 | 120.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | P78 G82 | P78-G80 VanDerWaalsContact C-N 3.32Å; P78-G80 PolarHBondContact O-N 2.83Å; G80-G82 PolarHBondContact O-N 3.43Å |
| 81 | L | 58.6 | Low | 70.1 | Confident | 176 Ų | 176 | 145.8 Ų | 145.8 | 92% | 0.921 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | 50.4 | 55.8 | 169.1 | -63 | 173.2 | 0 | 0 | 0 | 115.7 | H79 E83 | H79-L81 PolarHBondContact O-N 2.99Å; L81-E83 PolarHBondContact O-N 3.34Å |
| 82 | G | 58.7 | Low | 70.1 | Confident | 75 Ų | 75 | 140.7 Ų | 140.7 | 77% | 0.773 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | 74.6 | -23.4 | 151.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | G80 | G80-G82 PolarHBondContact O-N 3.43Š|
| 83 | E | 59.4 | Low | 70.8 | Confident | 127 Ų | 127 | 137.6 Ų | 137.6 | 59% | 0.593 | 71% | 0.707 | S | S | * | * | | | trans | -81.8 | 125.1 | -178.2 | -83.9 | -64.7 | 131.8 | 0 | 0 | 112.4 | L81 R86 | L81-E83 PolarHBondContact O-N 3.34Å; E83-R86 IonicContact OE1-NH2 2.73Å; E83-R86 IonicContact OE2-CZ 2.75Å; E83-R86 IonicContact OE2-NE 3.92Å; E83-R86 PolarHBondContact OE2-NE 2.85Å; E83-R86 IonicContact OE2-NH2 2.71Å; E83-R86 PolarHBondContact OE2-NH2 2.94Å |
| 84 | P | 71 | Confident | 70.6 | Confident | 76 Ų | 76 | 134.2 Ų | 134.2 | 49% | 0.494 | 70% | 0.703 | S | S | . | * | | | trans | -69.5 | 141.4 | 175.8 | 28.6 | -34 | 0 | 0 | 0 | 111.1 | R86 | P84-R86 PolarHBondContact O-N 2.9Š|
| 85 | Y | 70.9 | Confident | 70 | Confident | 142 Ų | 142 | 132.2 Ų | 132.2 | 56% | 0.557 | 69% | 0.691 | S | S | * | * | | | trans | -52.8 | 113 | -179.5 | -59.3 | -74.9 | 0 | 0 | 0 | 111.8 | L77 P78 H79 | L77-Y85 VanDerWaalsContact CB-OH 3.26Å; L77-Y85 WeakPolarHBondContact CB-OH 3.36Å; L77-Y85 PolarHBondContact O-OH 2.99Å; P78-Y85 PolarHBondContact O-OH 3.43Å; H79-Y85 AromaticContact CE1-CE2 3.9Å |
| 86 | R | 73.3 | Confident | 70.1 | Confident | 185 Ų | 185 | 134.4 Ų | 134.4 | 70% | 0.698 | 69% | 0.689 | S | S | * | * | | | trans | -78.6 | 124.6 | 178.9 | -55 | -60 | 179.2 | 162.2 | -2.4 | 109.7 | E83 P84 G88 | E83-R86 IonicContact OE1-NH2 2.73Å; E83-R86 IonicContact OE2-CZ 2.75Å; E83-R86 IonicContact OE2-NE 3.92Å; E83-R86 PolarHBondContact OE2-NE 2.85Å; E83-R86 IonicContact OE2-NH2 2.71Å; E83-R86 PolarHBondContact OE2-NH2 2.94Å; P84-R86 PolarHBondContact O-N 2.9Å; R86-G88 PolarHBondContact O-N 3.4Å |
| 87 | R | 75.5 | Confident | 69.1 | Low | 260 Ų | 260 | 136 Ų | 136 | 98% | 0.981 | 70% | 0.698 | S | S | * | * | | | trans | -66 | 114.9 | 171.8 | 178.7 | 176.1 | 169.1 | -177.4 | -4.4 | 108.9 | | |
| 88 | G | 77.1 | Confident | 68.3 | Low | 53 Ų | 53 | 139.6 Ų | 139.6 | 55% | 0.546 | 71% | 0.705 | S | S | . | * | | | trans | -147.7 | 179.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | R86 W90 | R86-G88 PolarHBondContact O-N 3.4Å; G88-W90 PolarHBondContact O-N 3.25Å |
| 89 | R | 80.2 | Confident | 67.8 | Low | 230 Ų | 230 | 140 Ų | 140 | 87% | 0.868 | 70% | 0.7 | S | S | * | * | | | trans | -80.5 | 111.4 | 176.4 | -169.6 | -179.8 | -158.2 | -109.3 | 4.3 | 109.2 | | |
| 90 | W | 74.8 | Confident | 67.3 | Low | 238 Ų | 238 | 140.7 Ų | 140.7 | 90% | 0.902 | 71% | 0.707 | S | S | * | * | | | trans | -69.7 | 129.8 | 172.2 | -65.3 | 79.5 | 0 | 0 | 0 | 109.8 | G88 | G88-W90 PolarHBondContact O-N 3.25Š|
| 91 | T | 77.3 | Confident | 67 | Low | 106 Ų | 106 | 142.4 Ų | 142.4 | 65% | 0.65 | 70% | 0.699 | S | S | * | * | | | trans | -108 | 108.6 | 169.1 | 48.3 | 0 | 0 | 0 | 0 | 108.1 | V93 | T91-V93 PolarHBondContact O-N 3.47Š|
| 92 | C | 69.4 | Low | 66.7 | Low | 121 Ų | 121 | 138.9 Ų | 138.9 | 82% | 0.818 | 69% | 0.687 | S | S | * | * | | | trans | -65.6 | 130.4 | 166.6 | -56.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 93 | V | 77.1 | Confident | 66.4 | Low | 114 Ų | 114 | 142.1 Ų | 142.1 | 69% | 0.691 | 68% | 0.682 | S | S | * | * | | | trans | -112.5 | 112.6 | 170.6 | 178 | 0 | 0 | 0 | 0 | 106.1 | T91 V95 | T91-V93 PolarHBondContact O-N 3.47Å; V93-V95 HydrophobicContact CG1-CG2 4.45Å; V93-V95 PolarHBondContact O-N 3.26Å |
| 94 | D | 75.6 | Confident | 65.9 | Low | 119 Ų | 119 | 141.2 Ų | 141.2 | 64% | 0.636 | 69% | 0.689 | S | S | * | * | | | trans | -76 | 109.6 | 172.7 | -62.9 | -41 | 0 | 0 | 0 | 107.8 | Y96 | D94-Y96 HydrophobicContact CB-CE2 3.97Å; D94-Y96 PolarHBondContact O-N 3.35Å |
| 95 | V | 63.3 | Low | 64.7 | Low | 106 Ų | 106 | 144.9 Ų | 144.9 | 64% | 0.642 | 70% | 0.698 | S | S | * | * | | | trans | -85.8 | 107.4 | 176.4 | -179.9 | 0 | 0 | 0 | 0 | 108 | V93 | V93-V95 HydrophobicContact CG1-CG2 4.45Å; V93-V95 PolarHBondContact O-N 3.26Å |
| 96 | Y | 75.1 | Confident | 63.5 | Low | 156 Ų | 156 | 140.2 Ų | 140.2 | 61% | 0.612 | 69% | 0.693 | S | S | * | * | | | trans | -82.7 | 141.6 | 168.6 | -64.6 | -84.7 | 0 | 0 | 0 | 109.3 | D94 R98 D99 | D94-Y96 HydrophobicContact CB-CE2 3.97Å; D94-Y96 PolarHBondContact O-N 3.35Å; Y96-R98 PolarHBondContact O-N 2.73Å; Y96-D99 PolarHBondContact O-N 3Å |
| 97 | E | 56.4 | Low | 62.4 | Low | 172 Ų | 172 | 142.4 Ų | 142.4 | 80% | 0.804 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -54.9 | -25.1 | -179.7 | -168.6 | 171.6 | -166.6 | 0 | 0 | 113 | D99 L100 | E97-D99 VanDerWaalsContact C-N 3.29Å; E97-D99 PolarHBondContact O-N 2.81Å; E97-L100 PolarHBondContact O-N 3.02Å |
| 98 | R | 53.9 | Low | 61.4 | Low | 178 Ų | 178 | 136.9 Ų | 136.9 | 67% | 0.672 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -64.4 | -21.3 | 173.8 | -88.3 | -105 | 52.4 | -143.9 | -6.1 | 115.5 | Y96 | Y96-R98 PolarHBondContact O-N 2.73Š|
| 99 | D | 53.5 | Low | 60.2 | Low | 123 Ų | 123 | 140 Ų | 140 | 66% | 0.658 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -92.3 | -2 | 179.9 | -69 | -51 | 0 | 0 | 0 | 113.6 | Y96 E97 E101 | Y96-D99 PolarHBondContact O-N 3Å; E97-D99 VanDerWaalsContact C-N 3.29Å; E97-D99 PolarHBondContact O-N 2.81Å; D99-E101 VanDerWaalsContact C-N 3.25Å |
| 100 | L | 56 | Low | 58.4 | Low | 136 Ų | 136 | 136.2 Ų | 136.2 | 71% | 0.712 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -81.4 | -5.5 | 170.7 | -67.9 | 167.3 | 0 | 0 | 0 | 112.8 | E97 | E97-L100 PolarHBondContact O-N 3.02Š|
| 101 | E | 49.1 | Very low | 56.8 | Low | 97 Ų | 97 | 128.1 Ų | 128.1 | 45% | 0.453 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -73.9 | 123.8 | 172.7 | -106.9 | -67.7 | 164.5 | 0 | 0 | 110.7 | D99 H103 | D99-E101 VanDerWaalsContact C-N 3.25Å; E101-H103 PolarHBondContact O-N 3.39Å; E101-H103 IonicContact OE2-CE1 2.7Å; E101-H103 PolarHBondContact OE2-CE1 3.43Å; E101-H103 IonicContact OE2-CG 3.82Å; E101-H103 IonicContact OE2-ND1 4Å; E101-H103 PolarHBondContact OE2-ND1 2.81Å |
| 102 | P | 52.8 | Low | 55.7 | Low | 102 Ų | 102 | 130.5 Ų | 130.5 | 66% | 0.662 | 68% | 0.683 | S | S | * | * | | | trans | -72 | 35.5 | -174 | 29.1 | -37.2 | 0 | 0 | 0 | 115.7 | S104 | P102-S104 PolarHBondContact O-N 2.9Å; P102-S104 VanDerWaalsContact O-N 3.1Å |
| 103 | H | 51.9 | Low | 54.9 | Low | 144 Ų | 144 | 135.6 Ų | 135.6 | 67% | 0.667 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | 1.5 | -175.3 | -89.2 | 71.6 | 0 | 0 | 0 | 115.7 | E101 | E101-H103 PolarHBondContact O-N 3.39Å; E101-H103 IonicContact OE2-CE1 2.7Å; E101-H103 PolarHBondContact OE2-CE1 3.43Å; E101-H103 IonicContact OE2-CG 3.82Å; E101-H103 IonicContact OE2-ND1 4Å; E101-H103 PolarHBondContact OE2-ND1 2.81Å |
| 104 | S | 49.7 | Very low | 53.1 | Low | 107 Ų | 107 | 133.8 Ų | 133.8 | 75% | 0.748 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | -19.3 | 178.6 | 59.4 | 0 | 0 | 0 | 0 | 114.7 | P102 | P102-S104 PolarHBondContact O-N 2.9Å; P102-S104 VanDerWaalsContact O-N 3.1Å |
| 105 | F | 46.7 | Very low | 51.5 | Low | 153 Ų | 153 | 133.4 Ų | 133.4 | 67% | 0.671 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -24 | -176.5 | -135.9 | -91.9 | 0 | 0 | 0 | 113.7 | R107 L109 | F105-R107 PolarHBondContact O-N 2.91Å; F105-L109 HydrophobicContact CD1-CD1 4.28Å |
| 106 | G | 44.4 | Very low | 50.4 | Low | 44 Ų | 44 | 134 Ų | 134 | 45% | 0.454 | 71% | 0.712 | S | S | . | * | H | α-helix | trans | -66 | -35.5 | -175 | 0 | 0 | 0 | 0 | 0 | 115.2 | L108 L109 E110 | G106-L108 PolarHBondContact O-N 3.48Å; G106-L108 VanDerWaalsContact O-N 3.14Å; G106-L109 PolarHBondContact O-N 2.98Å; G106-E110 PolarHBondContact O-N 3.42Å |
| 107 | R | 51.4 | Low | 48.5 | Very low | 231 Ų | 231 | 130.4 Ų | 130.4 | 87% | 0.872 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -68.6 | -14.5 | -174.6 | -63.6 | -165.3 | -162.6 | -154.1 | 5.7 | 114.7 | F105 | F105-R107 PolarHBondContact O-N 2.91Å |
| 108 | L | 54.1 | Low | 47.5 | Very low | 144 Ų | 144 | 125.9 Ų | 125.9 | 75% | 0.754 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -82 | -31.3 | 176.4 | -162.8 | 74.2 | 0 | 0 | 0 | 112 | G106 | G106-L108 PolarHBondContact O-N 3.48Å; G106-L108 VanDerWaalsContact O-N 3.14Å |
| 109 | L | 52.6 | Low | 46.9 | Very low | 118 Ų | 118 | 122.7 Ų | 122.7 | 62% | 0.618 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -90.9 | -25.1 | -177.2 | -79.8 | 132 | 0 | 0 | 0 | 113.3 | F105 G106 G111 | F105-L109 HydrophobicContact CD1-CD1 4.28Å; G106-L109 PolarHBondContact O-N 2.98Å; L109-G111 PolarHBondContact O-N 3.37Å; L109-G111 VanDerWaalsContact O-N 3.1Å |
| 110 | E | 42.3 | Very low | 46 | Very low | 152 Ų | 152 | 119.6 Ų | 119.6 | 71% | 0.71 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -1.5 | 174.2 | -150.1 | 66.7 | -133.2 | 0 | 0 | 113.6 | G106 | G106-E110 PolarHBondContact O-N 3.42Š|
| 111 | G | 40.9 | Very low | 45.4 | Very low | 68 Ų | 68 | 117.2 Ų | 117.2 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -12.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | L109 | L109-G111 PolarHBondContact O-N 3.37Å; L109-G111 VanDerWaalsContact O-N 3.1Å |
| 112 | I | 53.6 | Low | 45 | Very low | 155 Ų | 155 | 123 Ų | 123 | 80% | 0.795 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -104.3 | -12 | -166.7 | -57.4 | 178 | 0 | 0 | 0 | 112.9 | | |
| 113 | R | 52.9 | Low | 44.6 | Very low | 228 Ų | 228 | 123.1 Ų | 123.1 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -135.2 | 62.4 | -171 | -161.5 | -165.9 | -59 | -105.7 | 1 | 113.7 | | |
| 114 | G | 40.2 | Very low | 44.2 | Very low | 77 Ų | 77 | 124 Ų | 124 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | | | trans | -178.4 | 26.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 115 | A | 40.3 | Very low | 43.6 | Very low | 110 Ų | 110 | 125.2 Ų | 125.2 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | | | trans | -113.5 | 56.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 116 | S | 40.6 | Very low | 43.3 | Very low | 119 Ų | 119 | 123 Ų | 123 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | | | trans | -145.6 | 108.3 | 160.3 | -167.7 | 0 | 0 | 0 | 0 | 108.1 | | |
| 117 | G | 35.8 | Very low | 43.1 | Very low | 80 Ų | 80 | 131.7 Ų | 131.7 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | | | trans | -86.9 | 163 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 118 | G | 35.5 | Very low | 42.5 | Very low | 77 Ų | 77 | 129 Ų | 129 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | | | trans | 153.8 | 101 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 119 | A | 40 | Very low | 42 | Very low | 112 Ų | 112 | 129.7 Ų | 129.7 | 93% | 0.926 | 79% | 0.791 | S | S | * | * | | | trans | -47.2 | 152.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 120 | G | 35.6 | Very low | 41.2 | Very low | 58 Ų | 58 | 131.2 Ų | 131.2 | 60% | 0.598 | 80% | 0.799 | S | S | * | * | | | trans | 161.6 | 60.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | R122 | G120-R122 PolarHBondContact O-N 3.22Š|
| 121 | G | 42.9 | Very low | 40.9 | Very low | 85 Ų | 85 | 128.5 Ų | 128.5 | 88% | 0.876 | 80% | 0.803 | S | S | * | * | | | trans | -61.6 | 129.4 | 167 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 122 | R | 41 | Very low | 40.7 | Very low | 218 Ų | 218 | 131 Ų | 131 | 82% | 0.823 | 81% | 0.809 | S | S | * | * | | | trans | -147.1 | 121.3 | 163.7 | 59.7 | -174.1 | 73.3 | -121.9 | 3.6 | 110.9 | G120 | G120-R122 PolarHBondContact O-N 3.22Š|
| 123 | S | 44 | Very low | 40 | Very low | 106 Ų | 106 | 132.4 Ų | 132.4 | 74% | 0.741 | 82% | 0.818 | S | S | * | * | | | trans | -57.1 | 140.2 | 168.5 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 124 | L | 43.1 | Very low | 39 | Very low | 161 Ų | 161 | 124.9 Ų | 124.9 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | | | trans | -139.5 | 96.5 | 151.5 | -78.9 | -176.5 | 0 | 0 | 0 | 109.7 | | |
| 125 | D | 38.3 | Very low | 38.8 | Very low | 133 Ų | 133 | 130.2 Ų | 130.2 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | | | trans | -63.2 | 135.4 | 156.3 | -164.7 | -69.6 | 0 | 0 | 0 | 109.1 | | |
| 126 | S | 39.9 | Very low | 38.4 | Very low | 108 Ų | 108 | 128.5 Ų | 128.5 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | | | trans | -155.9 | 91.8 | 172 | -79.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 127 | R | 40.2 | Very low | 38.3 | Very low | 226 Ų | 226 | 129.6 Ų | 129.6 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | | | trans | -33.5 | 132.6 | 160.5 | -64.7 | 158.4 | 55.3 | -160.3 | -2.2 | 113.5 | | |
| 128 | L | 39.6 | Very low | 38.5 | Very low | 175 Ų | 175 | 131.8 Ų | 131.8 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | | | trans | -141.2 | 123.5 | 133.9 | -139.2 | 95.7 | 0 | 0 | 0 | 109.5 | | |
| 129 | E | 42 | Very low | 38.4 | Very low | 157 Ų | 157 | 134.5 Ų | 134.5 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | | | trans | -116.3 | 161.6 | 178.7 | -109.1 | -75.9 | -169.5 | 0 | 0 | 108.5 | | |
| 130 | L | 35.9 | Very low | 38.5 | Very low | 151 Ų | 151 | 134.8 Ų | 134.8 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | | | trans | 64.3 | 134.3 | -176.6 | -75.8 | 70.4 | 0 | 0 | 0 | 115.5 | | |
| 131 | A | 36.1 | Very low | 38.5 | Very low | 94 Ų | 94 | 141.4 Ų | 141.4 | 78% | 0.777 | 82% | 0.824 | S | S | * | * | | | cis | -153.8 | 145.3 | 31.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 132 | S | 37 | Very low | 38 | Very low | 121 Ų | 121 | 143.6 Ų | 143.6 | 85% | 0.846 | 83% | 0.826 | S | S | * | * | | | trans | -106.9 | 114.3 | 168.3 | -70.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 133 | L | 39.3 | Very low | 37.7 | Very low | 185 Ų | 185 | 136.9 Ų | 136.9 | 97% | 0.969 | 82% | 0.824 | S | S | * | * | | | trans | -157.4 | 141.6 | 158.8 | -67 | -179.8 | 0 | 0 | 0 | 106.3 | | |
| 134 | G | 30.7 | Very low | 37.4 | Very low | 69 Ų | 69 | 140.6 Ų | 140.6 | 71% | 0.711 | 84% | 0.835 | S | S | * | * | | | cis | -171.2 | 177.3 | -4 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 135 | L | 36.9 | Very low | 37.2 | Very low | 190 Ų | 190 | 139 Ų | 139 | 100% | 0.995 | 84% | 0.837 | S | S | * | * | | | trans | -63 | 144.2 | 179.9 | -83.8 | 62.6 | 0 | 0 | 0 | 112.6 | | |
| 136 | G | 30.9 | Very low | 37 | Very low | 74 Ų | 74 | 142 Ų | 142 | 76% | 0.763 | 85% | 0.847 | S | S | * | * | | | trans | -173.6 | 109.9 | 169 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 137 | T | 38.7 | Very low | 36.9 | Very low | 142 Ų | 142 | 140.3 Ų | 140.3 | 87% | 0.871 | 85% | 0.847 | S | S | * | * | | | trans | -77.4 | 155.8 | 170.5 | 46.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 138 | P | 41.2 | Very low | 37.5 | Very low | 126 Ų | 126 | 135.7 Ų | 135.7 | 82% | 0.818 | 85% | 0.846 | S | S | * | * | | | trans | -129.2 | 126.4 | 153 | 34.3 | -21.7 | 0 | 0 | 0 | 113.8 | | |
| 139 | T | 32.6 | Very low | 37.5 | Very low | 134 Ų | 134 | 133.8 Ų | 133.8 | 82% | 0.822 | 84% | 0.842 | S | S | * | * | | | trans | -79.7 | 160.8 | 158.1 | 13 | 0 | 0 | 0 | 0 | 110.6 | | |
| 140 | P | 42.3 | Very low | 37.5 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 76% | 0.76 | 83% | 0.833 | S | S | * | * | | | trans | -90.4 | 152.9 | -160.2 | 35.1 | -36.5 | 0 | 0 | 0 | 114.8 | | |
| 141 | Q | 35.4 | Very low | 38 | Very low | 197 Ų | 197 | 134.1 Ų | 134.1 | 92% | 0.921 | 84% | 0.838 | S | S | * | * | | | trans | -130 | 141.6 | 159 | -74 | -124 | -61.8 | 0 | 0 | 110.6 | | |
| 142 | S | 33.6 | Very low | 38.4 | Very low | 132 Ų | 132 | 138 Ų | 138 | 92% | 0.923 | 85% | 0.845 | S | S | * | * | | | trans | -92.4 | 141.1 | 175.9 | -59.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 143 | G | 34.6 | Very low | 38.6 | Very low | 77 Ų | 77 | 143.3 Ų | 143.3 | 79% | 0.794 | 85% | 0.847 | S | S | * | * | | | trans | -168.2 | 104.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 144 | L | 36.9 | Very low | 39.3 | Very low | 184 Ų | 184 | 139.6 Ų | 139.6 | 96% | 0.963 | 83% | 0.833 | S | S | * | * | | | trans | -45.6 | 133.8 | -178.8 | -66 | 142.2 | 0 | 0 | 0 | 116.5 | | |
| 145 | S | 38.2 | Very low | 40.7 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 88% | 0.881 | 84% | 0.835 | S | S | * | * | | | trans | -164.4 | 155.2 | 138.1 | -165.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 146 | Q | 36 | Very low | 41.6 | Very low | 197 Ų | 197 | 138.7 Ų | 138.7 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | | | trans | -91.1 | 149.8 | -172.6 | -68.5 | 170.8 | -31.2 | 0 | 0 | 113.7 | | |
| 147 | G | 37.6 | Very low | 42.2 | Very low | 73 Ų | 73 | 141.9 Ų | 141.9 | 75% | 0.753 | 83% | 0.831 | S | S | * | * | | | trans | 174.4 | 119.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 148 | P | 51.5 | Low | 42.2 | Very low | 129 Ų | 129 | 140.5 Ų | 140.5 | 84% | 0.838 | 83% | 0.827 | S | S | * | * | | | trans | -96.2 | 118.1 | -173.1 | 34.3 | -30.6 | 0 | 0 | 0 | 112.8 | | |
| 149 | T | 40.6 | Very low | 42.7 | Very low | 135 Ų | 135 | 140.3 Ų | 140.3 | 83% | 0.828 | 83% | 0.826 | S | S | * | * | | | trans | -143.7 | 99.3 | 161.8 | -64.7 | 0 | 0 | 0 | 0 | 109.9 | W151 | T149-W151 PolarHBondContact O-N 2.95Š|
| 150 | S | 42.1 | Very low | 42.9 | Very low | 80 Ų | 80 | 137 Ų | 137 | 56% | 0.559 | 82% | 0.819 | S | S | * | * | | | trans | -48.2 | 130.7 | 147.3 | 174.6 | 0 | 0 | 0 | 0 | 107.5 | | |
| 151 | W | 45.9 | Very low | 43 | Very low | 234 Ų | 234 | 137.9 Ų | 137.9 | 89% | 0.886 | 82% | 0.824 | S | S | * | * | | | | -155 | -174.1 | 67.5 | -72 | 90.6 | 0 | 0 | 0 | 110.5 | T149 | T149-W151 PolarHBondContact O-N 2.95Š|
| 152 | L | 45 | Very low | 43.1 | Very low | 177 Ų | 177 | 137.1 Ų | 137.1 | 93% | 0.927 | 82% | 0.821 | S | S | * | * | | | trans | 85.5 | 82.8 | -177.2 | -51.1 | 171.5 | 0 | 0 | 0 | 115.3 | | |
| 153 | R | 40.8 | Very low | 43 | Very low | 232 Ų | 232 | 135.2 Ų | 135.2 | 88% | 0.875 | 81% | 0.813 | S | S | * | * | | | trans | -132.2 | 117.8 | 153.3 | 169.7 | 171.2 | -85.3 | 175.6 | -5.8 | 108.9 | | |
| 154 | P | 53.9 | Low | 43.1 | Very low | 106 Ų | 106 | 141.5 Ų | 141.5 | 69% | 0.688 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 154.5 | 166.3 | 30.9 | -33.2 | 0 | 0 | 0 | 110.4 | | |
| 155 | P | 61.1 | Low | 43 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 145.8 | -179.6 | 28.7 | -34.8 | 0 | 0 | 0 | 111.6 | | |
| 156 | P | 54.9 | Low | 43 | Very low | 126 Ų | 126 | 140 Ų | 140 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 132.2 | 175.9 | 29.4 | -33.6 | 0 | 0 | 0 | 111 | | |
| 157 | T | 42.7 | Very low | 43 | Very low | 142 Ų | 142 | 137.3 Ų | 137.3 | 87% | 0.871 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 137.4 | 167.9 | 40 | 0 | 0 | 0 | 0 | 110.4 | | |
| 158 | S | 38.7 | Very low | 42.9 | Very low | 113 Ų | 113 | 137.9 Ų | 137.9 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 151.8 | 179.8 | -147.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 159 | P | 52.3 | Low | 42 | Very low | 122 Ų | 122 | 135.3 Ų | 135.3 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -72 | 143.6 | -169.9 | -16.9 | 31.9 | 0 | 0 | 0 | 113.9 | | |
| 160 | G | 36.1 | Very low | 41.8 | Very low | 64 Ų | 64 | 137.9 Ų | 137.9 | 66% | 0.66 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 161 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 161 | P | 44.9 | Very low | 41.4 | Very low | 135 Ų | 135 | 137.6 Ų | 137.6 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 136.1 | 177.8 | 29.1 | -34 | 0 | 0 | 0 | 111.4 | A163 | P161-A163 PolarHBondContact O-N 3.49Š|
| 162 | Q | 38.1 | Very low | 40.9 | Very low | 182 Ų | 182 | 134.9 Ų | 134.9 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 131.2 | 177.3 | -75.2 | -158.9 | 22.6 | 0 | 0 | 112.3 | R164 | Q162-R164 PolarHBondContact O-N 3.02Š|
| 163 | A | 31 | Very low | 40.4 | Very low | 91 Ų | 91 | 133.4 Ų | 133.4 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | | | trans | -71.4 | 112.9 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | P161 S165 | P161-A163 PolarHBondContact O-N 3.49Å; A163-S165 PolarHBondContact O-N 3.16Å |
| 164 | R | 38 | Very low | 39.9 | Very low | 210 Ų | 210 | 128.9 Ų | 128.9 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | | | trans | -84.1 | 96.9 | 167.1 | -96.4 | -178.4 | 157.6 | -178.2 | -4.9 | 109.8 | Q162 F166 | Q162-R164 PolarHBondContact O-N 3.02Å; R164-F166 HydrophobicContact CB-CD2 4.38Å; R164-F166 HydrophobicContact CB-CE2 4.48Å; R164-F166 HydrophobicContact CG-CE2 4.37Å; R164-F166 PolarHBondContact O-N 2.79Å |
| 165 | S | 32.9 | Very low | 39 | Very low | 107 Ų | 107 | 130.1 Ų | 130.1 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | | | trans | -66.6 | 116.9 | 161.9 | -58.1 | 0 | 0 | 0 | 0 | 109.6 | A163 | A163-S165 PolarHBondContact O-N 3.16Š|
| 166 | F | 39.6 | Very low | 38.3 | Very low | 172 Ų | 172 | 130.8 Ų | 130.8 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | | | trans | -123.6 | 112 | 159 | -84.3 | -76.6 | 0 | 0 | 0 | 109.1 | R164 | R164-F166 HydrophobicContact CB-CD2 4.38Å; R164-F166 HydrophobicContact CB-CE2 4.48Å; R164-F166 HydrophobicContact CG-CE2 4.37Å; R164-F166 PolarHBondContact O-N 2.79Å |
| 167 | T | 36.4 | Very low | 37.1 | Very low | 139 Ų | 139 | 128.6 Ų | 128.6 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | | | trans | -103.2 | 137.1 | 172.3 | 46.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 168 | G | 34.1 | Very low | 36.6 | Very low | 85 Ų | 85 | 132.1 Ų | 132.1 | 88% | 0.876 | 81% | 0.814 | S | S | * | * | | | trans | 96.1 | 132.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 169 | G | 33.7 | Very low | 36.2 | Very low | 76 Ų | 76 | 131.1 Ų | 131.1 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | | | cis | -174.1 | 168.3 | -4.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 170 | L | 35.5 | Very low | 35.1 | Very low | 188 Ų | 188 | 135 Ų | 135 | 98% | 0.984 | 82% | 0.817 | S | S | * | * | | | trans | 4.9 | 129.7 | 161.5 | -72.4 | 158.1 | 0 | 0 | 0 | 119.5 | | |
| 171 | G | 33.8 | Very low | 34.7 | Very low | 75 Ų | 75 | 136.1 Ų | 136.1 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | | | trans | 163.1 | 82.6 | 153.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 172 | Q | 35.8 | Very low | 33.8 | Very low | 177 Ų | 177 | 137.9 Ų | 137.9 | 83% | 0.827 | 82% | 0.817 | S | S | * | * | | | trans | 54.3 | 125.4 | 141.8 | -76 | -175.7 | 18.9 | 0 | 0 | 123.7 | | |
| 173 | L | 33.3 | Very low | 33.5 | Very low | 145 Ų | 145 | 135.1 Ų | 135.1 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | | | | 89.5 | 137.4 | 123.7 | -80.4 | 169.6 | 0 | 0 | 0 | 123.4 | | |
| 174 | V | 31 | Very low | 34.4 | Very low | 137 Ų | 137 | 135.9 Ų | 135.9 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | | | trans | 93.3 | 136.5 | 154.8 | 171.1 | 0 | 0 | 0 | 0 | 119.4 | | |
| 175 | V | 35 | Very low | 34.8 | Very low | 133 Ų | 133 | 132 Ų | 132 | 81% | 0.806 | 81% | 0.812 | S | S | * | * | | | trans | -96.7 | 161.2 | -166.3 | 153.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 176 | P | 47 | Very low | 34.7 | Very low | 128 Ų | 128 | 135 Ų | 135 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | | | trans | -93.1 | 162.5 | -150.8 | 35.9 | -34.9 | 0 | 0 | 0 | 115.7 | | |
| 177 | G | 29.9 | Very low | 34.2 | Very low | 80 Ų | 80 | 132.5 Ų | 132.5 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | | | trans | -115.1 | 144.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 178 | K | 31.8 | Very low | 33.8 | Very low | 215 Ų | 215 | 130.6 Ų | 130.6 | 94% | 0.935 | 82% | 0.821 | S | S | * | * | | | trans | -128.4 | 119.6 | -169 | -171 | -168.2 | -172.1 | -177.5 | 0 | 111.9 | | |
| 179 | A | 30.6 | Very low | 33.6 | Very low | 92 Ų | 92 | 132.1 Ų | 132.1 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | | | trans | -170.3 | 135.2 | 160.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 180 | K | 28.5 | Very low | 33.9 | Very low | 203 Ų | 203 | 134.3 Ų | 134.3 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | | | cis | 85.4 | 130.2 | 39.4 | -168.3 | -179.4 | 178.9 | -172.6 | 0 | 113.3 | | |
| 181 | A | 28.4 | Very low | 34.2 | Very low | 89 Ų | 89 | 131.2 Ų | 131.2 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | | | trans | 73.8 | 150.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 182 | E | 26.2 | Very low | 34 | Very low | 171 Ų | 171 | 136 Ų | 136 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | | | cis | -170.8 | 141.1 | -13.9 | 171.6 | 179.7 | 132.3 | 0 | 0 | 110 | | |
| 183 | T | 31.6 | Very low | 33.7 | Very low | 125 Ų | 125 | 137 Ų | 137 | 77% | 0.767 | 82% | 0.817 | S | S | * | * | | | trans | 23.5 | -179.5 | 160.6 | 0.3 | 0 | 0 | 0 | 0 | 123.4 | | |
| 184 | P | 48.5 | Very low | 33.4 | Very low | 106 Ų | 106 | 141 Ų | 141 | 69% | 0.688 | 82% | 0.822 | S | S | * | * | | | trans | -114.8 | -170.5 | -137 | 41.7 | -22.7 | 0 | 0 | 0 | 114.8 | | |
| 185 | P | 46.5 | Very low | 34.2 | Very low | 129 Ų | 129 | 139.7 Ų | 139.7 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | | | | -138.4 | 172.5 | 121.3 | 37.9 | -26.5 | 0 | 0 | 0 | 115.5 | | |
| 186 | L | 31.2 | Very low | 34.6 | Very low | 169 Ų | 169 | 139.1 Ų | 139.1 | 89% | 0.885 | 82% | 0.815 | S | S | * | * | | | trans | -94.2 | 165.2 | -173.7 | -70.6 | 161.8 | 0 | 0 | 0 | 114.1 | | |
| 187 | S | 28.7 | Very low | 34.1 | Very low | 120 Ų | 120 | 142 Ų | 142 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | | | trans | 90.4 | 115.7 | 142.7 | -153.9 | 0 | 0 | 0 | 0 | 120 | | |
| 188 | A | 29.4 | Very low | 34.7 | Very low | 99 Ų | 99 | 144.4 Ų | 144.4 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | | | | -176.3 | 128.8 | 122.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 189 | S | 29.6 | Very low | 34.5 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | trans | -96.1 | 161.1 | 160.4 | -52 | 0 | 0 | 0 | 0 | 109.4 | | |
| 190 | P | 38.7 | Very low | 34.6 | Very low | 122 Ų | 122 | 140.7 Ų | 140.7 | 79% | 0.792 | 82% | 0.819 | S | S | * | * | | | | -156.7 | -162.8 | 92.2 | 39.1 | -16.7 | 0 | 0 | 0 | 113.8 | | |
| 191 | P | 42 | Very low | 34.7 | Very low | 123 Ų | 123 | 134.1 Ų | 134.1 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | | | | -128 | -173 | -64.9 | 39.9 | -24.3 | 0 | 0 | 0 | 114.5 | | |
| 192 | Q | 30.2 | Very low | 34.8 | Very low | 176 Ų | 176 | 139.1 Ų | 139.1 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | | | trans | -65.6 | 166.5 | -179.1 | -52.5 | 178.5 | 23.2 | 0 | 0 | 116.6 | | |
| 193 | Q | 29.6 | Very low | 35.1 | Very low | 197 Ų | 197 | 136.6 Ų | 136.6 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | | | | -165.7 | 145.9 | 126.4 | -109.7 | 162.3 | 78.9 | 0 | 0 | 116.5 | | |
| 194 | R | 27.4 | Very low | 35.1 | Very low | 231 Ų | 231 | 135.5 Ų | 135.5 | 87% | 0.872 | 82% | 0.823 | S | S | * | * | | | trans | -174.3 | 155.6 | 171.7 | 175.4 | -159.8 | -87.2 | -158 | 0.2 | 107 | | |
| 195 | P | 48.2 | Very low | 34.3 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 71% | 0.708 | 82% | 0.822 | S | S | * | * | | | cis | -115.3 | -157.1 | -30.1 | 33.4 | -12.7 | 0 | 0 | 0 | 109.9 | | |
| 196 | P | 42.8 | Very low | 33.6 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 79% | 0.786 | 82% | 0.823 | S | S | * | * | | | | -149.7 | 172.8 | 91.4 | 39.1 | -21.3 | 0 | 0 | 0 | 116.4 | | |
| 197 | E | 35.9 | Very low | 33.6 | Very low | 187 Ų | 187 | 130.5 Ų | 130.5 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | | | trans | -102 | 155.6 | 162.9 | -63.5 | -157 | 138.5 | 0 | 0 | 111.8 | | |
| 198 | P | 42 | Very low | 33.8 | Very low | 131 Ų | 131 | 135.8 Ų | 135.8 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | | | | -136.6 | 172.6 | 128.1 | 38.3 | -26.6 | 0 | 0 | 0 | 110.8 | | |
| 199 | G | 29 | Very low | 33.8 | Very low | 73 Ų | 73 | 135.7 Ų | 135.7 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | | | cis | 162.5 | 152.7 | 4.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 200 | T | 32.3 | Very low | 33.9 | Very low | 156 Ų | 156 | 134.6 Ų | 134.6 | 96% | 0.957 | 81% | 0.81 | S | S | * | * | | | trans | -59.5 | 143.5 | -169.7 | -30.4 | 0 | 0 | 0 | 0 | 116.1 | | |
| 201 | G | 30.9 | Very low | 33.5 | Very low | 65 Ų | 65 | 135.1 Ų | 135.1 | 67% | 0.67 | 81% | 0.812 | S | S | * | * | | | trans | 164.1 | 116.7 | 158.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 202 | E | 31.1 | Very low | 33.6 | Very low | 194 Ų | 194 | 134.9 Ų | 134.9 | 91% | 0.907 | 81% | 0.81 | S | S | * | * | | | trans | 72.1 | 107 | 141.4 | -53.2 | -162.9 | 104.7 | 0 | 0 | 124.5 | | |
| 203 | S | 31.6 | Very low | 34 | Very low | 118 Ų | 118 | 133.8 Ų | 133.8 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | | 77.6 | 138 | 120.3 | -148.5 | 0 | 0 | 0 | 0 | 124.1 | | |
| 204 | A | 32.1 | Very low | 34.2 | Very low | 103 Ų | 103 | 130.4 Ų | 130.4 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | | | trans | 61.1 | 129.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 205 | G | 30.2 | Very low | 34.2 | Very low | 65 Ų | 65 | 124.3 Ų | 124.3 | 67% | 0.67 | 80% | 0.797 | S | S | * | * | | | cis | 164.2 | 162.7 | -4.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 206 | T | 32.5 | Very low | 33.2 | Very low | 141 Ų | 141 | 126.7 Ų | 126.7 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | | | trans | 70.2 | 128.6 | 168.3 | -50.8 | 0 | 0 | 0 | 0 | 115.5 | | |
| 207 | S | 32.3 | Very low | 32.5 | Very low | 93 Ų | 93 | 132.3 Ų | 132.3 | 65% | 0.65 | 81% | 0.808 | S | S | * | * | | | cis | -163.9 | 153.3 | -4.1 | -111.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 208 | R | 33 | Very low | 32.4 | Very low | 231 Ų | 231 | 129.5 Ų | 129.5 | 87% | 0.872 | 80% | 0.804 | S | S | * | * | | | trans | 53.4 | 119.6 | 151.3 | -66.9 | 177.6 | 160.3 | -175.7 | -7.9 | 119.2 | | |
| 209 | A | 28.1 | Very low | 31.8 | Very low | 97 Ų | 97 | 131 Ų | 131 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | | | | 67 | 132.3 | 63.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 210 | A | 31.1 | Very low | 31.9 | Very low | 93 Ų | 93 | 131.6 Ų | 131.6 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | | | cis | -159.4 | 166.2 | -1.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 211 | T | 30.8 | Very low | 31.7 | Very low | 134 Ų | 134 | 133.4 Ų | 133.4 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | | | trans | -58.2 | 173.7 | 157.3 | 9.6 | 0 | 0 | 0 | 0 | 112 | | |
| 212 | P | 43.7 | Very low | 31.7 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | | | cis | -146.1 | -175.6 | 32.2 | 40.3 | -17.3 | 0 | 0 | 0 | 118.9 | | |
| 213 | L | 38.7 | Very low | 31.6 | Very low | 153 Ų | 153 | 128.8 Ų | 128.8 | 80% | 0.801 | 80% | 0.797 | S | S | * | * | | | trans | -51.2 | 168.9 | 161.6 | -65.8 | 156.7 | 0 | 0 | 0 | 114.3 | | |
| 214 | P | 33.8 | Very low | 31.4 | Very low | 126 Ų | 126 | 127.1 Ų | 127.1 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -131.6 | 161.1 | 135.8 | 37.9 | -28 | 0 | 0 | 0 | 114.6 | | |
| 215 | S | 27.1 | Very low | 31.3 | Very low | 103 Ų | 103 | 128.3 Ų | 128.3 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | | | trans | -134.7 | 151.1 | 173.5 | -70.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 216 | L | 28.3 | Very low | 31.3 | Very low | 158 Ų | 158 | 128.7 Ų | 128.7 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | | | trans | 67.9 | 126.1 | 154.3 | -70.4 | 166 | 0 | 0 | 0 | 121.9 | | |
| 217 | R | 29 | Very low | 31.4 | Very low | 239 Ų | 239 | 128.7 Ų | 128.7 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | | | | 176.5 | 116.5 | 124.6 | -90.9 | 157.4 | -171.7 | -170.9 | 2.7 | 107.1 | | |
| 218 | V | 32.2 | Very low | 31.2 | Very low | 129 Ų | 129 | 135.2 Ų | 135.2 | 78% | 0.782 | 82% | 0.815 | S | S | * | * | | | | 65.9 | 114.7 | 74.9 | 177.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 219 | D | 29.3 | Very low | 31.4 | Very low | 163 Ų | 163 | 130.3 Ų | 130.3 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | | | trans | -153.7 | 164.2 | 141.8 | -136.6 | -46.7 | 0 | 0 | 0 | 110.4 | | |
| 220 | A | 32.7 | Very low | 32.5 | Very low | 84 Ų | 84 | 130.5 Ų | 130.5 | 69% | 0.694 | 80% | 0.804 | S | S | * | * | | | trans | -150.2 | 143.1 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 221 | E | 27.6 | Very low | 33.4 | Very low | 194 Ų | 194 | 132 Ų | 132 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | | | trans | -178.8 | 158.8 | 160 | -94.7 | -104.8 | 103.6 | 0 | 0 | 106.1 | | |
| 222 | A | 30.3 | Very low | 33.5 | Very low | 75 Ų | 75 | 133.4 Ų | 133.4 | 62% | 0.62 | 81% | 0.807 | S | S | * | * | | | cis | 169.9 | 141.6 | -27.8 | 0 | 0 | 0 | 0 | 0 | 105.9 | | |
| 223 | G | 28.4 | Very low | 33.2 | Very low | 88 Ų | 88 | 133.5 Ų | 133.5 | 91% | 0.907 | 81% | 0.811 | S | S | * | * | | | trans | 80.7 | 136.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 224 | G | 28.3 | Very low | 33 | Very low | 82 Ų | 82 | 137.1 Ų | 137.1 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | | | trans | 150.7 | 62.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 225 | S | 29.7 | Very low | 33 | Very low | 128 Ų | 128 | 141.7 Ų | 141.7 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | | | trans | -71.3 | 141.3 | 163.1 | -177.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 226 | G | 31.4 | Very low | 33.2 | Very low | 74 Ų | 74 | 145 Ų | 145 | 76% | 0.763 | 82% | 0.817 | S | S | * | * | | | trans | -167.5 | 61 | -169.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | R228 | G226-R228 PolarHBondContact O-N 2.81Š|
| 227 | T | 33.3 | Very low | 33.5 | Very low | 141 Ų | 141 | 141.9 Ų | 141.9 | 87% | 0.865 | 81% | 0.813 | S | S | * | * | | | trans | -53.9 | 121.9 | 172.2 | -47.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 228 | R | 29.3 | Very low | 33.8 | Very low | 229 Ų | 229 | 136.3 Ų | 136.3 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | | | trans | -163.8 | 118.9 | 154.3 | -154.8 | 161.2 | 159.5 | -160.1 | -7.9 | 117 | G226 | G226-R228 PolarHBondContact O-N 2.81Š|
| 229 | T | 36.3 | Very low | 34 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | | | trans | -119.1 | -180 | 149.3 | 48.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 230 | P | 50.4 | Low | 34.3 | Very low | 101 Ų | 101 | 137.5 Ų | 137.5 | 66% | 0.656 | 80% | 0.804 | S | S | * | * | | | | -103.6 | -149.5 | -62.3 | 29.9 | -11.8 | 0 | 0 | 0 | 109.9 | | |
| 231 | P | 50.9 | Low | 34.3 | Very low | 125 Ų | 125 | 144.6 Ų | 144.6 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | | | | -149 | 178.2 | 82.3 | 40.3 | -21.1 | 0 | 0 | 0 | 116.8 | | |
| 232 | L | 33.4 | Very low | 34.7 | Very low | 162 Ų | 162 | 143.2 Ų | 143.2 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | | | trans | -79.3 | 159.1 | -176.2 | -63 | 150.3 | 0 | 0 | 0 | 115 | | |
| 233 | S | 37.8 | Very low | 34.7 | Very low | 120 Ų | 120 | 148.9 Ų | 148.9 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | | | trans | -157.6 | 103.5 | 153.3 | -75.3 | 0 | 0 | 0 | 0 | 106.9 | | |
| 234 | R | 33.3 | Very low | 34.9 | Very low | 229 Ų | 229 | 153.9 Ų | 153.9 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | | | | 64.3 | 127.5 | 61.9 | -164.5 | -172.8 | -107.6 | -135.2 | -1.5 | 113.4 | | |
| 235 | R | 33 | Very low | 34.9 | Very low | 222 Ų | 222 | 155.5 Ų | 155.5 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | | | trans | 92.9 | 137 | 174.4 | -60.5 | -171 | -176.8 | -136.7 | -0.2 | 114.3 | | |
| 236 | K | 32.5 | Very low | 34.9 | Very low | 174 Ų | 174 | 157.4 Ų | 157.4 | 76% | 0.757 | 80% | 0.803 | S | S | * | * | | | cis | -162.1 | 140.3 | -15.3 | -159.3 | 176.8 | -179 | -170.6 | 0 | 108 | | |
| 237 | A | 34.7 | Very low | 34.8 | Very low | 91 Ų | 91 | 157.2 Ų | 157.2 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | | | trans | -77.3 | 146 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 238 | V | 35.1 | Very low | 34.7 | Very low | 123 Ų | 123 | 155 Ų | 155 | 75% | 0.745 | 80% | 0.797 | S | S | * | * | | | trans | -156.9 | 105.8 | 161.7 | -99.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 239 | D | 36.3 | Very low | 35.9 | Very low | 153 Ų | 153 | 149.4 Ų | 149.4 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -68.1 | 142.5 | 158.7 | -71.6 | -68.3 | 0 | 0 | 0 | 109.8 | | |
| 240 | M | 36.4 | Very low | 35.8 | Very low | 163 Ų | 163 | 151.7 Ų | 151.7 | 80% | 0.803 | 79% | 0.792 | S | S | * | * | | | trans | -126.2 | 87.7 | 166.4 | -79.3 | -84.1 | 80.4 | 0 | 0 | 111.2 | | |
| 241 | R | 32.2 | Very low | 34.9 | Very low | 233 Ų | 233 | 154.4 Ų | 154.4 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | | | trans | -89.4 | 107.2 | 165.9 | -179.4 | 174.9 | -173.8 | 149.4 | 1.9 | 108.8 | | |
| 242 | L | 35.5 | Very low | 34.2 | Very low | 165 Ų | 165 | 156.9 Ų | 156.9 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | | | trans | -92.2 | 116.5 | 170.7 | -79.7 | 169.3 | 0 | 0 | 0 | 110.8 | | |
| 243 | R | 29.6 | Very low | 34.2 | Very low | 194 Ų | 194 | 151.9 Ų | 151.9 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | | | trans | -97.4 | 137.7 | 165.8 | 168 | -172.5 | 176 | 106.2 | -7.3 | 106.7 | E245 | R243-E245 IonicContact NH2-OE2 2.69Š|
| 244 | M | 33.3 | Very low | 33.7 | Very low | 194 Ų | 194 | 155.5 Ų | 155.5 | 96% | 0.956 | 79% | 0.79 | S | S | * | * | | | trans | -132.3 | 149.7 | 158.8 | -140.4 | 158.2 | 75.9 | 0 | 0 | 108.8 | | |
| 245 | E | 29.3 | Very low | 33.9 | Very low | 116 Ų | 116 | 151.1 Ų | 151.1 | 54% | 0.542 | 79% | 0.789 | S | S | . | * | | | trans | -153.5 | 165.7 | -153.3 | -139.6 | -82.3 | 93.5 | 0 | 0 | 108.8 | R243 | R243-E245 IonicContact NH2-OE2 2.69Š|
| 246 | L | 29.4 | Very low | 34.8 | Very low | 168 Ų | 168 | 146 Ų | 146 | 88% | 0.88 | 78% | 0.784 | S | S | * | * | | | trans | 120.9 | 125.3 | -177.9 | -91.2 | 66.5 | 0 | 0 | 0 | 110.2 | | |
| 247 | G | 28 | Very low | 35.5 | Very low | 69 Ų | 69 | 142.9 Ų | 142.9 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | | | cis | -177.7 | 155.1 | -7.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 248 | A | 32.7 | Very low | 35.5 | Very low | 95 Ų | 95 | 146.2 Ų | 146.2 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | | | trans | -85.5 | 177.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 249 | P | 52.8 | Low | 35.2 | Very low | 112 Ų | 112 | 147.5 Ų | 147.5 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | | -126 | 153.2 | 66.7 | 3.6 | 21.9 | 0 | 0 | 0 | 114.3 | | |
| 250 | E | 34.2 | Very low | 34.9 | Very low | 177 Ų | 177 | 144.9 Ų | 144.9 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | | | | 61.1 | 147.9 | 90.2 | -58.8 | -167.6 | 148.2 | 0 | 0 | 115.5 | | |
| 251 | E | 32.8 | Very low | 35.1 | Very low | 157 Ų | 157 | 148.3 Ų | 148.3 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | | | cis | -170.3 | 129.5 | -20.2 | 175.2 | -140.8 | 113 | 0 | 0 | 106 | | |
| 252 | M | 35.4 | Very low | 35.5 | Very low | 177 Ų | 177 | 143.5 Ų | 143.5 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | | | trans | -170.2 | 135.4 | 144.6 | -136.9 | 167.5 | -76.8 | 0 | 0 | 111.2 | | |
| 253 | G | 32.9 | Very low | 35.2 | Very low | 58 Ų | 58 | 140.8 Ų | 140.8 | 60% | 0.598 | 78% | 0.78 | S | S | * | * | | | trans | -97.7 | 149 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 254 | Q | 28.8 | Very low | 35.6 | Very low | 195 Ų | 195 | 136.6 Ų | 136.6 | 91% | 0.911 | 78% | 0.78 | S | S | * | * | | | trans | -174.6 | 147.2 | 136.7 | -103.9 | 156.8 | 100.4 | 0 | 0 | 112.4 | | |
| 255 | V | 35.9 | Very low | 36.3 | Very low | 137 Ų | 137 | 133.3 Ų | 133.3 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | | | trans | -150.5 | 164.1 | 173.8 | -79.2 | 0 | 0 | 0 | 0 | 107.8 | | |
| 256 | P | 53.4 | Low | 36.6 | Very low | 114 Ų | 114 | 131.9 Ų | 131.9 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | | | cis | -121.1 | -162.1 | -39.6 | 37.5 | -19.6 | 0 | 0 | 0 | 109.1 | | |
| 257 | P | 46.2 | Very low | 36.8 | Very low | 109 Ų | 109 | 131.5 Ų | 131.5 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | | | | -153.5 | 162.4 | 80.9 | 37.1 | -15.9 | 0 | 0 | 0 | 117.6 | | |
| 258 | L | 34.8 | Very low | 37.2 | Very low | 161 Ų | 161 | 138.2 Ų | 138.2 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | | | trans | 40.6 | 128.7 | 148.2 | -55.1 | 169.3 | 0 | 0 | 0 | 119.5 | | |
| 259 | D | 28.5 | Very low | 37.3 | Very low | 151 Ų | 151 | 143.6 Ų | 143.6 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | | | | -176 | 175.5 | 66.4 | -148.9 | -41.7 | 0 | 0 | 0 | 112.4 | | |
| 260 | S | 31.6 | Very low | 36.5 | Very low | 98 Ų | 98 | 142.3 Ų | 142.3 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | | | trans | 78.9 | 97.5 | 155.6 | -66.6 | 0 | 0 | 0 | 0 | 123.2 | | |
| 261 | R | 38.7 | Very low | 36.5 | Very low | 235 Ų | 235 | 142.9 Ų | 142.9 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | | | trans | 39 | 136.5 | 136.1 | -67.6 | -177.1 | 170.1 | -167.7 | -3.3 | 122.8 | | |
| 262 | P | 40.7 | Very low | 36.5 | Very low | 132 Ų | 132 | 142.4 Ų | 142.4 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | | | trans | -100.9 | 140.5 | 137.6 | 34.9 | -27.7 | 0 | 0 | 0 | 111.8 | | |
| 263 | S | 29.6 | Very low | 36.4 | Very low | 108 Ų | 108 | 138.5 Ų | 138.5 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | | | trans | -116.9 | 130.7 | 172.8 | -170.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 264 | S | 39.3 | Very low | 36.8 | Very low | 105 Ų | 105 | 140.9 Ų | 140.9 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | | | trans | -67.3 | 167.2 | 159.2 | -51.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 265 | P | 47.5 | Very low | 37.3 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | | -142.3 | 151.1 | 104.5 | 36.8 | -23.8 | 0 | 0 | 0 | 114.7 | | |
| 266 | A | 35 | Very low | 37.7 | Very low | 86 Ų | 86 | 138 Ų | 138 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | trans | -95.9 | 154.5 | 150.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 267 | L | 34 | Very low | 36.9 | Very low | 160 Ų | 160 | 141 Ų | 141 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | | | trans | -159.7 | 151.5 | 141.5 | -89.4 | -155.6 | 0 | 0 | 0 | 111.9 | | |
| 268 | Y | 36.4 | Very low | 36.6 | Very low | 210 Ų | 210 | 145.1 Ų | 145.1 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | | | trans | -72 | 158.7 | 173 | -70.1 | -109.1 | 0 | 0 | 0 | 111.6 | | |
| 269 | F | 34 | Very low | 36.6 | Very low | 208 Ų | 208 | 142.7 Ų | 142.7 | 91% | 0.912 | 80% | 0.795 | S | S | * | * | | | | -157.2 | 146.1 | 123 | -88.9 | -63.8 | 0 | 0 | 0 | 109.9 | | |
| 270 | A | 37.4 | Very low | 37.7 | Very low | 84 Ų | 84 | 141.4 Ų | 141.4 | 69% | 0.694 | 80% | 0.795 | S | S | * | * | | | trans | -104 | 150.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 271 | H | 33.9 | Very low | 37.9 | Very low | 189 Ų | 189 | 143.7 Ų | 143.7 | 88% | 0.875 | 80% | 0.799 | S | S | * | * | | | trans | -166.2 | 118.8 | 138.8 | -99.3 | -66.1 | 0 | 0 | 0 | 111 | | |
| 272 | D | 32.3 | Very low | 38.6 | Very low | 147 Ų | 147 | 137.6 Ų | 137.6 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | | | trans | 33.9 | 120.8 | 134.7 | -150.6 | -2.8 | 0 | 0 | 0 | 121.1 | | |
| 273 | A | 34.4 | Very low | 39 | Very low | 96 Ų | 96 | 140.5 Ų | 140.5 | 79% | 0.793 | 79% | 0.79 | S | S | * | * | | | trans | -163.3 | 104.2 | 149.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L275 | A273-L275 PolarHBondContact O-N 2.87Š|
| 274 | S | 40.1 | Very low | 39.7 | Very low | 107 Ų | 107 | 138.1 Ų | 138.1 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | | | trans | -63.3 | 124.7 | 161.5 | 170 | 0 | 0 | 0 | 0 | 110.6 | | |
| 275 | L | 40.5 | Very low | 40.1 | Very low | 146 Ų | 146 | 137.4 Ų | 137.4 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | | | trans | -146.8 | 107.4 | 160 | -150.5 | 138.7 | 0 | 0 | 0 | 112.5 | A273 H277 | A273-L275 PolarHBondContact O-N 2.87Å; L275-H277 PolarHBondContact O-N 2.65Å |
| 276 | V | 42.8 | Very low | 40.1 | Very low | 126 Ų | 126 | 137.5 Ų | 137.5 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | | | trans | -64.6 | 119.5 | 172 | 173.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 277 | H | 37.8 | Very low | 40.7 | Very low | 178 Ų | 178 | 136.9 Ų | 136.9 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | | | trans | -142.4 | 145.2 | 152.8 | -107.4 | -84.2 | 0 | 0 | 0 | 112.2 | L275 | L275-H277 PolarHBondContact O-N 2.65Š|
| 278 | K | 39.2 | Very low | 41.4 | Very low | 194 Ų | 194 | 133 Ų | 133 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | | | trans | -117.5 | 118.5 | -162 | 169 | -168.6 | 172.5 | -170.3 | 0 | 109.7 | | |
| 279 | S | 34.3 | Very low | 42.1 | Very low | 111 Ų | 111 | 130.6 Ų | 130.6 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | trans | -144.9 | 122.9 | 160 | 56 | 0 | 0 | 0 | 0 | 110.1 | | |
| 280 | P | 51.5 | Low | 42.7 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | | | trans | -90.1 | 126.9 | 174 | 33.5 | -28.4 | 0 | 0 | 0 | 110.4 | | |
| 281 | D | 37.3 | Very low | 43.4 | Very low | 146 Ų | 146 | 132.9 Ų | 132.9 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | | | trans | -117.7 | 121.1 | 174.5 | -151.5 | 4 | 0 | 0 | 0 | 109 | F283 | D281-F283 VanDerWaalsContact C-N 3.32Å; D281-F283 PolarHBondContact O-N 2.93Å; D281-F283 VanDerWaalsContact O-N 3.09Å |
| 282 | P | 53.1 | Low | 44.2 | Very low | 108 Ų | 108 | 127.9 Ų | 127.9 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | 12.2 | -153.1 | 30.6 | -35.4 | 0 | 0 | 0 | 116.8 | | |
| 283 | F | 48.2 | Very low | 45.4 | Very low | 192 Ų | 192 | 127.9 Ų | 127.9 | 84% | 0.842 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.3 | 1.1 | -177.2 | -83.7 | -86.3 | 0 | 0 | 0 | 116.1 | D281 A285 | D281-F283 VanDerWaalsContact C-N 3.32Å; D281-F283 PolarHBondContact O-N 2.93Å; D281-F283 VanDerWaalsContact O-N 3.09Å; F283-A285 PolarHBondContact O-N 3.28Å |
| 284 | G | 45.5 | Very low | 46.2 | Very low | 58 Ų | 58 | 126.2 Ų | 126.2 | 60% | 0.598 | 73% | 0.729 | S | S | * | * | | | trans | -81.6 | -6.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | V286 | G284-V286 VanDerWaalsContact C-N 3.35Å; G284-V286 PolarHBondContact O-N 2.95Å |
| 285 | A | 46.3 | Very low | 46.7 | Very low | 90 Ų | 90 | 128.6 Ų | 128.6 | 74% | 0.744 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -9.4 | -159 | 0 | 0 | 0 | 0 | 0 | 116.9 | F283 | F283-A285 PolarHBondContact O-N 3.28Š|
| 286 | V | 49 | Very low | 47 | Very low | 129 Ų | 129 | 125.5 Ų | 125.5 | 78% | 0.782 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -13.2 | -173.7 | -113.7 | 0 | 0 | 0 | 0 | 114.9 | G284 | G284-V286 VanDerWaalsContact C-N 3.35Å; G284-V286 PolarHBondContact O-N 2.95Å |
| 287 | A | 46.1 | Very low | 47.6 | Very low | 73 Ų | 73 | 125.7 Ų | 125.7 | 60% | 0.603 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -85.3 | -23.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q289 | A287-Q289 PolarHBondContact O-N 3.34Š|
| 288 | A | 49.4 | Very low | 48.3 | Very low | 79 Ų | 79 | 124.4 Ų | 124.4 | 65% | 0.653 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -76.2 | -16 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | K290 | A288-K290 PolarHBondContact O-N 3.44Š|
| 289 | Q | 51.8 | Low | 48.9 | Very low | 159 Ų | 159 | 119.3 Ų | 119.3 | 74% | 0.743 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -78.3 | -15 | -177.7 | -74.8 | -68.7 | -17.8 | 0 | 0 | 114.2 | A287 | A287-Q289 PolarHBondContact O-N 3.34Š|
| 290 | K | 46 | Very low | 49.8 | Very low | 185 Ų | 185 | 120.6 Ų | 120.6 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -89.2 | -4.3 | -172.3 | -67.1 | -163.4 | 174.9 | -167.6 | 0 | 116 | A288 | A288-K290 PolarHBondContact O-N 3.44Š|
| 291 | F | 51.7 | Low | 49.9 | Very low | 154 Ų | 154 | 120.3 Ų | 120.3 | 68% | 0.675 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -108.5 | 0.2 | 179.9 | -69.6 | -76.6 | 0 | 0 | 0 | 114.9 | L293 A294 | F291-L293 VanDerWaalsContact C-N 3.3Å; F291-L293 PolarHBondContact O-N 2.85Å; F291-A294 PolarHBondContact O-N 3.42Å |
| 292 | S | 50.8 | Low | 50.6 | Low | 85 Ų | 85 | 116.8 Ų | 116.8 | 59% | 0.594 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -65.8 | -26.8 | -175.2 | -164.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 293 | L | 56.6 | Low | 50.7 | Low | 146 Ų | 146 | 119.9 Ų | 119.9 | 76% | 0.764 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -68.2 | -38.1 | 179.9 | -162.5 | 78.7 | 0 | 0 | 0 | 112.7 | F291 H295 S296 | F291-L293 VanDerWaalsContact C-N 3.3Å; F291-L293 PolarHBondContact O-N 2.85Å; L293-H295 PolarHBondContact O-N 3.19Å; L293-S296 PolarHBondContact O-N 3.46Å |
| 294 | A | 51.5 | Low | 51 | Low | 61 Ų | 61 | 119.3 Ų | 119.3 | 50% | 0.504 | 71% | 0.71 | S | S | . | * | H | α-helix | trans | -68.8 | -35.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F291 | F291-A294 PolarHBondContact O-N 3.42Å |
| 295 | H | 50.2 | Low | 51.3 | Low | 158 Ų | 158 | 123.6 Ų | 123.6 | 73% | 0.731 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -70.5 | -31 | 177 | -79.6 | -95.4 | 0 | 0 | 0 | 112.9 | L293 M297 | L293-H295 PolarHBondContact O-N 3.19Å; H295-M297 VanDerWaalsContact C-N 3.35Å |
| 296 | S | 47.6 | Very low | 51.7 | Low | 80 Ų | 80 | 124.3 Ų | 124.3 | 56% | 0.559 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -70.5 | -30 | 179.4 | -164.1 | 0 | 0 | 0 | 0 | 112.9 | L293 | L293-S296 PolarHBondContact O-N 3.46Å |
| 297 | M | 54.6 | Low | 52.1 | Low | 131 Ų | 131 | 125.7 Ų | 125.7 | 65% | 0.645 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -75.7 | -24.7 | -178.2 | -71.3 | -101.5 | 59 | 0 | 0 | 114.1 | H295 A299 | H295-M297 VanDerWaalsContact C-N 3.35Å; M297-A299 VanDerWaalsContact C-N 3.33Å |
| 298 | L | 54.3 | Low | 52.6 | Low | 150 Ų | 150 | 128 Ų | 128 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -19.1 | 177.5 | -100.9 | 71.3 | 0 | 0 | 0 | 113.5 | I300 | L298-I300 VanDerWaalsContact C-N 3.34Å; L298-I300 PolarHBondContact O-N 3.47Å |
| 299 | A | 50.2 | Low | 53.1 | Low | 87 Ų | 87 | 132.1 Ų | 132.1 | 72% | 0.719 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -6.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | M297 | M297-A299 VanDerWaalsContact C-N 3.33Š|
| 300 | I | 54.4 | Low | 53.3 | Low | 139 Ų | 139 | 128.2 Ų | 128.2 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -107 | -16.7 | -173.9 | -56.5 | 178.5 | 0 | 0 | 0 | 112.2 | L298 G302 | L298-I300 VanDerWaalsContact C-N 3.34Å; L298-I300 PolarHBondContact O-N 3.47Å; I300-G302 VanDerWaalsContact C-N 3.26Å; I300-G302 PolarHBondContact O-N 3.45Å; I300-G302 VanDerWaalsContact O-N 3.1Å |
| 301 | S | 53.9 | Low | 54.2 | Low | 117 Ų | 117 | 123.2 Ų | 123.2 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -86.5 | 32.5 | -172.9 | -167.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 302 | G | 50.6 | Low | 54.5 | Low | 72 Ų | 72 | 121.3 Ų | 121.3 | 74% | 0.742 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -128.9 | 13.5 | -160.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | I300 | I300-G302 VanDerWaalsContact C-N 3.26Å; I300-G302 PolarHBondContact O-N 3.45Å; I300-G302 VanDerWaalsContact O-N 3.1Å |
| 303 | H | 56.4 | Low | 55 | Low | 172 Ų | 172 | 119.5 Ų | 119.5 | 80% | 0.796 | 73% | 0.728 | S | S | * | * | | | trans | -159.5 | 77.4 | 174.2 | -167.4 | 66 | 0 | 0 | 0 | 114.1 | | |
| 304 | L | 54.5 | Low | 55.5 | Low | 180 Ų | 180 | 116 Ų | 116 | 94% | 0.942 | 72% | 0.715 | S | S | * | * | | | trans | -146.2 | 60.1 | 166 | -71.6 | -179.9 | 0 | 0 | 0 | 110.1 | | |
| 305 | D | 52.1 | Low | 56.6 | Low | 148 Ų | 148 | 118.7 Ų | 118.7 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | | | trans | -99.6 | 103.4 | 164.1 | -164 | 73.1 | 0 | 0 | 0 | 106.9 | | |
| 306 | S | 55 | Low | 58 | Low | 105 Ų | 105 | 116.3 Ų | 116.3 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | | | trans | -158.6 | 72.2 | -179 | -176.9 | 0 | 0 | 0 | 0 | 109.4 | D308 | S306-D308 PolarHBondContact O-N 3.45Å; S306-D308 VanDerWaalsContact O-N 3.12Å |
| 307 | D | 57.2 | Low | 60 | Low | 159 Ų | 159 | 114 Ų | 114 | 85% | 0.85 | 71% | 0.705 | S | S | * | * | | | trans | -65.6 | 101 | 164.1 | -71.8 | -46.6 | 0 | 0 | 0 | 109.6 | | |
| 308 | D | 55 | Low | 61.8 | Low | 120 Ų | 120 | 111.5 Ų | 111.5 | 64% | 0.642 | 69% | 0.694 | S | S | * | * | | | trans | -135.9 | 109.5 | 159.8 | -165.5 | -90.1 | 0 | 0 | 0 | 110.4 | S306 S310 | S306-D308 PolarHBondContact O-N 3.45Å; S306-D308 VanDerWaalsContact O-N 3.12Å; D308-S310 VanDerWaalsContact C-N 3.29Å; D308-S310 PolarHBondContact O-N 2.89Å; D308-S310 WeakPolarHBondContact OD1-CB 3.38Å; D308-S310 PolarHBondContact OD1-OG 2.95Å |
| 309 | D | 59.6 | Low | 63.6 | Low | 167 Ų | 167 | 108.5 Ų | 108.5 | 89% | 0.893 | 68% | 0.679 | S | S | * | * | | | trans | -76.6 | 77.7 | 176.2 | -175.5 | 55.7 | 0 | 0 | 0 | 110.7 | | |
| 310 | S | 57.2 | Low | 65.8 | Low | 76 Ų | 76 | 108.4 Ų | 108.4 | 53% | 0.531 | 67% | 0.666 | S | S | . | * | | | trans | -122 | 91.4 | 174.9 | -76.5 | 0 | 0 | 0 | 0 | 110.9 | D308 S312 G313 | D308-S310 VanDerWaalsContact C-N 3.29Å; D308-S310 PolarHBondContact O-N 2.89Å; D308-S310 WeakPolarHBondContact OD1-CB 3.38Å; D308-S310 PolarHBondContact OD1-OG 2.95Å; S310-S312 PolarHBondContact O-N 3.41Å; S310-G313 PolarHBondContact O-N 3.22Å; S310-G313 VanDerWaalsContact O-N 3.1Å |
| 311 | G | 63.7 | Low | 67.7 | Low | 81 Ų | 81 | 108.9 Ų | 108.9 | 84% | 0.835 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | 12 | -170.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 312 | S | 59.8 | Low | 69.6 | Low | 114 Ų | 114 | 108.2 Ų | 108.2 | 80% | 0.797 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | -13.7 | 172.9 | -170.3 | 0 | 0 | 0 | 0 | 114.1 | S310 | S310-S312 PolarHBondContact O-N 3.41Š|
| 313 | G | 61.4 | Low | 71.8 | Confident | 47 Ų | 47 | 109.9 Ų | 109.9 | 49% | 0.485 | 64% | 0.638 | S | S | . | * | S | Bend | trans | -85.7 | -17.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S310 L315 V316 G317 | S310-G313 PolarHBondContact O-N 3.22Å; S310-G313 VanDerWaalsContact O-N 3.1Å; G313-L315 PolarHBondContact O-N 2.88Å; G313-V316 PolarHBondContact O-N 3.2Å; G313-G317 PolarHBondContact O-N 2.93Å; G313-G317 VanDerWaalsContact O-N 3.08Å |
| 314 | S | 66.4 | Low | 73.7 | Confident | 72 Ų | 72 | 107 Ų | 107 | 50% | 0.503 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -62.9 | -42 | -168.7 | -172.5 | 0 | 0 | 0 | 0 | 113.9 | V316 G317 I318 | S314-V316 PolarHBondContact O-N 3.4Å; S314-G317 CarbonylContact O-C 3.54Å; S314-G317 PolarHBondContact O-N 2.88Å; S314-I318 VanDerWaalsContact O-CG1 3.26Å; S314-I318 WeakPolarHBondContact O-CG1 3.48Å; S314-I318 PolarHBondContact O-N 2.96Å |
| 315 | L | 73.7 | Confident | 75.8 | Confident | 118 Ų | 118 | 101 Ų | 101 | 62% | 0.618 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61.7 | -48 | -179.6 | -177.4 | 62.2 | 0 | 0 | 0 | 111.9 | G313 G317 I318 D319 | G313-L315 PolarHBondContact O-N 2.88Å; L315-G317 VanDerWaalsContact C-N 3.27Å; L315-G317 PolarHBondContact O-N 2.94Å; L315-I318 WeakPolarHBondContact O-CB 3.4Å; L315-I318 PolarHBondContact O-N 3.49Å; L315-D319 PolarHBondContact O-N 3.2Å |
| 316 | V | 80.6 | Confident | 78 | Confident | 108 Ų | 108 | 98.9 Ų | 98.9 | 66% | 0.655 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.1 | -36.5 | 176.9 | -175.6 | 0 | 0 | 0 | 0 | 111.1 | G313 S314 N320 | G313-V316 PolarHBondContact O-N 3.2Å; S314-V316 PolarHBondContact O-N 3.4Å; V316-N320 WeakPolarHBondContact O-CB 3.26Å; V316-N320 PolarHBondContact O-N 3.38Å; V316-N320 VanDerWaalsContact O-N 3.12Å |
| 317 | G | 90.4 | Very high | 80 | Confident | 30 Ų | 30 | 97.3 Ų | 97.3 | 31% | 0.309 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.7 | -30.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G313 S314 L315 K321 | G313-G317 PolarHBondContact O-N 2.93Å; G313-G317 VanDerWaalsContact O-N 3.08Å; S314-G317 CarbonylContact O-C 3.54Å; S314-G317 PolarHBondContact O-N 2.88Å; L315-G317 VanDerWaalsContact C-N 3.27Å; L315-G317 PolarHBondContact O-N 2.94Å; G317-K321 WeakPolarHBondContact O-CD 3.24Å; G317-K321 VanDerWaalsContact O-CG 3.23Å; G317-K321 WeakPolarHBondContact O-CG 3.34Å; G317-K321 PolarHBondContact O-N 3.19Å |
| 318 | I | 90.8 | Very high | 81.9 | Confident | 80 Ų | 80 | 95.7 Ų | 95.7 | 41% | 0.41 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -74.8 | -46.7 | 174.6 | -70.3 | 161.1 | 0 | 0 | 0 | 110.2 | S314 L315 N320 K321 I322 | S314-I318 VanDerWaalsContact O-CG1 3.26Å; S314-I318 WeakPolarHBondContact O-CG1 3.48Å; S314-I318 PolarHBondContact O-N 2.96Å; L315-I318 WeakPolarHBondContact O-CB 3.4Å; L315-I318 PolarHBondContact O-N 3.49Å; I318-N320 VanDerWaalsContact C-N 3.32Å; I318-N320 PolarHBondContact O-N 3.36Å; I318-K321 CarbonylContact O-C 3.58Å; I318-K321 WeakPolarHBondContact O-CA 3.45Å; I318-K321 WeakPolarHBondContact O-CB 3.23Å; I318-K321 PolarHBondContact O-N 2.75Å; I318-I322 HydrophobicContact CG2-CD1 3.8Å; I318-I322 HydrophobicContact CG2-CG1 4.35Å; I318-I322 WeakPolarHBondContact O-CG1 3.48Å; I318-I322 PolarHBondContact O-N 3.22Å |
| 319 | D | 93.7 | Very high | 84 | Confident | 87 Ų | 87 | 94.8 Ų | 94.8 | 47% | 0.465 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59 | -43.8 | 178.9 | -68.1 | -27.3 | 0 | 0 | 0 | 111.2 | L315 K321 I322 E323 | L315-D319 PolarHBondContact O-N 3.2Å; D319-K321 VanDerWaalsContact C-N 3.32Å; D319-K321 PolarHBondContact O-N 2.71Å; D319-I322 WeakPolarHBondContact O-CB 3.47Å; D319-I322 PolarHBondContact O-N 3.27Å; D319-E323 WeakPolarHBondContact O-CB 3.29Å; D319-E323 PolarHBondContact O-N 3.02Å |
| 320 | N | 94.4 | Very high | 85.8 | Confident | 84 Ų | 84 | 92 Ų | 92 | 45% | 0.449 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.7 | -34 | 173.9 | -175.1 | 23 | 0 | 0 | 0 | 113 | V316 I318 Q324 | V316-N320 WeakPolarHBondContact O-CB 3.26Å; V316-N320 PolarHBondContact O-N 3.38Å; V316-N320 VanDerWaalsContact O-N 3.12Å; I318-N320 VanDerWaalsContact C-N 3.32Å; I318-N320 PolarHBondContact O-N 3.36Å; N320-Q324 VanDerWaalsContact CG-NE2 3.3Å; N320-Q324 PolarHBondContact ND2-NE2 3.23Å; N320-Q324 WeakPolarHBondContact O-CB 3.35Å; N320-Q324 VanDerWaalsContact O-CG 3.28Å; N320-Q324 WeakPolarHBondContact O-CG 3.24Å; N320-Q324 PolarHBondContact O-N 2.69Å; N320-Q324 PolarHBondContact O-NE2 3.5Å; N320-Q324 PolarHBondContact OD1-NE2 3.48Å |
| 321 | K | 94.6 | Very high | 87.8 | Confident | 149 Ų | 149 | 92 Ų | 92 | 65% | 0.648 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -72 | -35 | 174.1 | -74.9 | 169.1 | -175.8 | 178.8 | 0 | 112.1 | G317 I318 D319 A325 | G317-K321 WeakPolarHBondContact O-CD 3.24Å; G317-K321 VanDerWaalsContact O-CG 3.23Å; G317-K321 WeakPolarHBondContact O-CG 3.34Å; G317-K321 PolarHBondContact O-N 3.19Å; I318-K321 CarbonylContact O-C 3.58Å; I318-K321 WeakPolarHBondContact O-CA 3.45Å; I318-K321 WeakPolarHBondContact O-CB 3.23Å; I318-K321 PolarHBondContact O-N 2.75Å; D319-K321 VanDerWaalsContact C-N 3.32Å; D319-K321 PolarHBondContact O-N 2.71Å; K321-A325 WeakPolarHBondContact O-CB 3.4Å; K321-A325 PolarHBondContact O-N 2.91Å |
| 322 | I | 95.1 | Very high | 89.4 | Confident | 103 Ų | 103 | 94.6 Ų | 94.6 | 53% | 0.528 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.5 | -43.8 | 173.3 | -67.7 | 167.4 | 0 | 0 | 0 | 110 | I318 D319 A325 M326 | I318-I322 HydrophobicContact CG2-CD1 3.8Å; I318-I322 HydrophobicContact CG2-CG1 4.35Å; I318-I322 WeakPolarHBondContact O-CG1 3.48Å; I318-I322 PolarHBondContact O-N 3.22Å; D319-I322 WeakPolarHBondContact O-CB 3.47Å; D319-I322 PolarHBondContact O-N 3.27Å; I322-A325 PolarHBondContact O-N 3.33Å; I322-M326 VanDerWaalsContact O-CB 3.31Å; I322-M326 WeakPolarHBondContact O-CB 3.33Å; I322-M326 PolarHBondContact O-N 3.08Å |
| 323 | E | 96.3 | Very high | 91.2 | Very high | 108 Ų | 108 | 94.3 Ų | 94.3 | 51% | 0.505 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62 | -47.2 | 176.9 | -172 | 163.6 | -147.5 | 0 | 0 | 111.5 | D319 A325 M326 D327 | D319-E323 WeakPolarHBondContact O-CB 3.29Å; D319-E323 PolarHBondContact O-N 3.02Å; E323-A325 PolarHBondContact O-N 2.73Å; E323-M326 HydrophobicContact CG-CE 4.49Å; E323-M326 PolarHBondContact O-N 2.95Å; E323-D327 WeakPolarHBondContact O-CB 3.47Å; E323-D327 PolarHBondContact O-N 3.13Å |
| 324 | Q | 97.3 | Very high | 92.9 | Very high | 112 Ų | 112 | 96.7 Ų | 96.7 | 52% | 0.523 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.2 | -43.6 | 173.6 | -76 | 168.1 | 66.7 | 0 | 0 | 113.1 | N320 D327 L328 | N320-Q324 VanDerWaalsContact CG-NE2 3.3Å; N320-Q324 PolarHBondContact ND2-NE2 3.23Å; N320-Q324 WeakPolarHBondContact O-CB 3.35Å; N320-Q324 VanDerWaalsContact O-CG 3.28Å; N320-Q324 WeakPolarHBondContact O-CG 3.24Å; N320-Q324 PolarHBondContact O-N 2.69Å; N320-Q324 PolarHBondContact O-NE2 3.5Å; N320-Q324 PolarHBondContact OD1-NE2 3.48Å; Q324-D327 PolarHBondContact O-N 3.41Å; Q324-L328 WeakPolarHBondContact O-CB 3.49Å; Q324-L328 PolarHBondContact O-N 3.04Å |
| 325 | A | 97.3 | Very high | 94.4 | Very high | 54 Ų | 54 | 99.2 Ų | 99.2 | 45% | 0.446 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.4 | -40.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K321 I322 E323 V329 | K321-A325 WeakPolarHBondContact O-CB 3.4Å; K321-A325 PolarHBondContact O-N 2.91Å; I322-A325 PolarHBondContact O-N 3.33Å; E323-A325 PolarHBondContact O-N 2.73Å; A325-V329 WeakPolarHBondContact O-CG2 3.29Å; A325-V329 PolarHBondContact O-N 3.16Å |
| 326 | M | 97.8 | Very high | 95.6 | Very high | 103 Ų | 103 | 95.2 Ų | 95.2 | 51% | 0.507 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 176.1 | 179.8 | -179.2 | 60.1 | 0 | 0 | 111.7 | I322 E323 V329 K330 | I322-M326 VanDerWaalsContact O-CB 3.31Å; I322-M326 WeakPolarHBondContact O-CB 3.33Å; I322-M326 PolarHBondContact O-N 3.08Å; E323-M326 HydrophobicContact CG-CE 4.49Å; E323-M326 PolarHBondContact O-N 2.95Å; M326-V329 PolarHBondContact O-N 3.02Å; M326-K330 VanDerWaalsContact O-CB 3.29Å; M326-K330 WeakPolarHBondContact O-CB 3.2Å; M326-K330 PolarHBondContact O-N 3.48Å |
| 327 | D | 97.8 | Very high | 96.4 | Very high | 71 Ų | 71 | 93.9 Ų | 93.9 | 38% | 0.38 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.7 | -32 | 178.5 | -85.8 | -12.6 | 0 | 0 | 0 | 112.7 | E323 Q324 K330 S331 | E323-D327 WeakPolarHBondContact O-CB 3.47Å; E323-D327 PolarHBondContact O-N 3.13Å; Q324-D327 PolarHBondContact O-N 3.41Å; D327-K330 PolarHBondContact O-N 3.11Å; D327-K330 WeakPolarHBondContact OD1-CE 3.43Å; D327-K330 IonicContact OD1-NZ 3.11Å; D327-K330 PolarHBondContact OD1-NZ 2.95Å; D327-S331 WeakPolarHBondContact O-CB 3.3Å; D327-S331 PolarHBondContact O-N 3.47Å |
| 328 | L | 98 | Very high | 96.8 | Very high | 125 Ų | 125 | 99.3 Ų | 99.3 | 65% | 0.654 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.1 | -47.2 | 169.1 | -178 | 62.7 | 0 | 0 | 0 | 111.4 | Q324 S331 H332 | Q324-L328 WeakPolarHBondContact O-CB 3.49Å; Q324-L328 PolarHBondContact O-N 3.04Å; L328-S331 PolarHBondContact O-N 2.78Å; L328-H332 WeakPolarHBondContact O-CB 3.5Å; L328-H332 PolarHBondContact O-N 3.04Å |
| 329 | V | 98.2 | Very high | 97.1 | Very high | 101 Ų | 101 | 100.4 Ų | 100.4 | 61% | 0.612 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62 | -43.4 | 175.5 | 168.6 | 0 | 0 | 0 | 0 | 111.2 | A325 M326 H332 L333 | A325-V329 WeakPolarHBondContact O-CG2 3.29Å; A325-V329 PolarHBondContact O-N 3.16Å; M326-V329 PolarHBondContact O-N 3.02Å; V329-H332 PolarHBondContact O-N 2.86Å; V329-L333 VanDerWaalsContact O-CB 3.31Å; V329-L333 WeakPolarHBondContact O-CB 3.42Å; V329-L333 PolarHBondContact O-N 3.3Å |
| 330 | K | 98.3 | Very high | 97.3 | Very high | 110 Ų | 110 | 102 Ų | 102 | 48% | 0.478 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 175.8 | -176.2 | -169 | -66 | 156.4 | 0 | 111 | M326 D327 M334 | M326-K330 VanDerWaalsContact O-CB 3.29Å; M326-K330 WeakPolarHBondContact O-CB 3.2Å; M326-K330 PolarHBondContact O-N 3.48Å; D327-K330 PolarHBondContact O-N 3.11Å; D327-K330 WeakPolarHBondContact OD1-CE 3.43Å; D327-K330 IonicContact OD1-NZ 3.11Å; D327-K330 PolarHBondContact OD1-NZ 2.95Å; K330-M334 HydrophobicContact CG-CG 4.42Å; K330-M334 WeakPolarHBondContact O-CB 3.27Å; K330-M334 WeakPolarHBondContact O-CG 3.26Å; K330-M334 PolarHBondContact O-N 2.93Å |
| 331 | S | 97.9 | Very high | 97.5 | Very high | 76 Ų | 76 | 101 Ų | 101 | 53% | 0.531 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.7 | -48 | 178.3 | -174 | 0 | 0 | 0 | 0 | 111.5 | D327 L328 M334 F335 | D327-S331 WeakPolarHBondContact O-CB 3.3Å; D327-S331 PolarHBondContact O-N 3.47Å; L328-S331 PolarHBondContact O-N 2.78Å; S331-M334 PolarHBondContact O-N 3.27Å; S331-F335 WeakPolarHBondContact O-CB 3.43Å; S331-F335 PolarHBondContact O-N 3.33Å |
| 332 | H | 98.2 | Very high | 97.7 | Very high | 134 Ų | 134 | 99.9 Ų | 99.9 | 62% | 0.62 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.6 | -45.7 | 178.3 | -175.3 | 65.5 | 0 | 0 | 0 | 112.3 | L328 V329 F335 A336 | L328-H332 WeakPolarHBondContact O-CB 3.5Å; L328-H332 PolarHBondContact O-N 3.04Å; V329-H332 PolarHBondContact O-N 2.86Å; H332-F335 PolarHBondContact O-N 2.93Å; H332-A336 WeakPolarHBondContact O-CB 3.49Å; H332-A336 PolarHBondContact O-N 2.96Å |
| 333 | L | 98.3 | Very high | 97.9 | Very high | 108 Ų | 108 | 98 Ų | 98 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.3 | -43.6 | 176 | -176.9 | 65.4 | 0 | 0 | 0 | 111.6 | V329 F335 A336 V337 | V329-L333 VanDerWaalsContact O-CB 3.31Å; V329-L333 WeakPolarHBondContact O-CB 3.42Å; V329-L333 PolarHBondContact O-N 3.3Å; L333-F335 PolarHBondContact O-N 3.46Å; L333-A336 PolarHBondContact O-N 3.35Å; L333-V337 HydrophobicContact CD1-CG2 3.82Å; L333-V337 HydrophobicContact CG-CG2 4.19Å; L333-V337 VanDerWaalsContact O-CB 3.29Å; L333-V337 WeakPolarHBondContact O-CB 3.21Å; L333-V337 VanDerWaalsContact O-CG2 3.24Å; L333-V337 WeakPolarHBondContact O-CG2 3.44Å; L333-V337 PolarHBondContact O-N 3.19Å |
| 334 | M | 97.1 | Very high | 98 | Very high | 98 Ų | 98 | 97.1 Ų | 97.1 | 48% | 0.483 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.6 | -24.7 | 176.3 | -75.5 | -68.9 | -62.7 | 0 | 0 | 113 | K330 S331 R338 | K330-M334 HydrophobicContact CG-CG 4.42Å; K330-M334 WeakPolarHBondContact O-CB 3.27Å; K330-M334 WeakPolarHBondContact O-CG 3.26Å; K330-M334 PolarHBondContact O-N 2.93Å; S331-M334 PolarHBondContact O-N 3.27Å; M334-R338 WeakPolarHBondContact O-CG 3.18Å; M334-R338 PolarHBondContact O-NE 3.19Å; M334-R338 PolarHBondContact O-NH2 3.14Å |
| 335 | F | 97.8 | Very high | 98 | Very high | 125 Ų | 125 | 97.5 Ų | 97.5 | 55% | 0.548 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -79 | -56.4 | 172.2 | -177.9 | -93.2 | 0 | 0 | 0 | 110.6 | S331 H332 L333 V337 R338 E339 | S331-F335 WeakPolarHBondContact O-CB 3.43Å; S331-F335 PolarHBondContact O-N 3.33Å; H332-F335 PolarHBondContact O-N 2.93Å; L333-F335 PolarHBondContact O-N 3.46Å; F335-V337 VanDerWaalsContact C-N 3.34Å; F335-V337 PolarHBondContact O-N 2.91Å; F335-R338 WeakPolarHBondContact O-CA 3.47Å; F335-R338 WeakPolarHBondContact O-CB 3.43Å; F335-R338 PolarHBondContact O-N 2.92Å; F335-E339 VanDerWaalsContact CE1-OE2 3.26Å; F335-E339 WeakPolarHBondContact CE1-OE2 3.44Å; F335-E339 PolarHBondContact O-N 3.45Å |
| 336 | A | 97.7 | Very high | 98.1 | Very high | 33 Ų | 33 | 98.7 Ų | 98.7 | 27% | 0.273 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -56.5 | -44.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | H332 L333 R338 E339 E340 | H332-A336 WeakPolarHBondContact O-CB 3.49Å; H332-A336 PolarHBondContact O-N 2.96Å; L333-A336 PolarHBondContact O-N 3.35Å; A336-R338 VanDerWaalsContact C-N 3.28Å; A336-R338 PolarHBondContact O-N 3.23Å; A336-E339 PolarHBondContact O-N 3.02Å; A336-E340 WeakPolarHBondContact O-CB 3.36Å; A336-E340 VanDerWaalsContact O-CG 3.31Å; A336-E340 WeakPolarHBondContact O-CG 3.4Å; A336-E340 PolarHBondContact O-N 3.2Å |
| 337 | V | 98.6 | Very high | 98.1 | Very high | 81 Ų | 81 | 98.4 Ų | 98.4 | 49% | 0.491 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.9 | -31.2 | 177 | 173.1 | 0 | 0 | 0 | 0 | 112.1 | L333 F335 V341 | L333-V337 HydrophobicContact CD1-CG2 3.82Å; L333-V337 HydrophobicContact CG-CG2 4.19Å; L333-V337 VanDerWaalsContact O-CB 3.29Å; L333-V337 WeakPolarHBondContact O-CB 3.21Å; L333-V337 VanDerWaalsContact O-CG2 3.24Å; L333-V337 WeakPolarHBondContact O-CG2 3.44Å; L333-V337 PolarHBondContact O-N 3.19Å; F335-V337 VanDerWaalsContact C-N 3.34Å; F335-V337 PolarHBondContact O-N 2.91Å; V337-V341 WeakPolarHBondContact O-CB 3.42Å; V337-V341 WeakPolarHBondContact O-CG2 3.26Å; V337-V341 PolarHBondContact O-N 2.66Å |
| 338 | R | 97.6 | Very high | 98.2 | Very high | 143 Ų | 143 | 100.6 Ų | 100.6 | 54% | 0.54 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -72.6 | -44.6 | 174.6 | -85.5 | -175.9 | -83.5 | -155.5 | 0.5 | 111.6 | M334 F335 A336 V341 E342 | M334-R338 WeakPolarHBondContact O-CG 3.18Å; M334-R338 PolarHBondContact O-NE 3.19Å; M334-R338 PolarHBondContact O-NH2 3.14Å; F335-R338 WeakPolarHBondContact O-CA 3.47Å; F335-R338 WeakPolarHBondContact O-CB 3.43Å; F335-R338 PolarHBondContact O-N 2.92Å; A336-R338 VanDerWaalsContact C-N 3.28Å; A336-R338 PolarHBondContact O-N 3.23Å; R338-V341 PolarHBondContact O-N 3.1Å; R338-E342 WeakPolarHBondContact O-CG 3.45Å; R338-E342 PolarHBondContact O-N 3.1Å |
| 339 | E | 98.2 | Very high | 98.2 | Very high | 103 Ų | 103 | 100.9 Ų | 100.9 | 48% | 0.481 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.1 | -49.6 | 176.8 | -173.7 | 169.7 | -154 | 0 | 0 | 111.4 | F335 A336 V341 E342 V343 | F335-E339 VanDerWaalsContact CE1-OE2 3.26Å; F335-E339 WeakPolarHBondContact CE1-OE2 3.44Å; F335-E339 PolarHBondContact O-N 3.45Å; A336-E339 PolarHBondContact O-N 3.02Å; E339-V341 VanDerWaalsContact C-N 3.31Å; E339-V341 PolarHBondContact O-N 3.23Å; E339-E342 PolarHBondContact O-N 3.41Å; E339-V343 WeakPolarHBondContact O-CG2 3.2Å; E339-V343 PolarHBondContact O-N 3.09Å |
| 340 | E | 98 | Very high | 98.2 | Very high | 120 Ų | 120 | 100.7 Ų | 100.7 | 56% | 0.561 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -58.8 | -39.6 | 175.4 | -69.9 | -66.4 | 150.3 | 0 | 0 | 112.4 | A336 E342 V343 L344 | A336-E340 WeakPolarHBondContact O-CB 3.36Å; A336-E340 VanDerWaalsContact O-CG 3.31Å; A336-E340 WeakPolarHBondContact O-CG 3.4Å; A336-E340 PolarHBondContact O-N 3.2Å; E340-E342 VanDerWaalsContact C-N 3.34Å; E340-V343 PolarHBondContact O-N 2.89Å; E340-L344 WeakPolarHBondContact O-CB 3.12Å; E340-L344 VanDerWaalsContact O-CG 3.24Å; E340-L344 WeakPolarHBondContact O-CG 3.18Å; E340-L344 PolarHBondContact O-N 3.34Å |
| 341 | V | 98.6 | Very high | 98.2 | Very high | 63 Ų | 63 | 100.7 Ų | 100.7 | 38% | 0.382 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.8 | -33.2 | 175.1 | 165.3 | 0 | 0 | 0 | 0 | 112.1 | V337 R338 E339 K345 | V337-V341 WeakPolarHBondContact O-CB 3.42Å; V337-V341 WeakPolarHBondContact O-CG2 3.26Å; V337-V341 PolarHBondContact O-N 2.66Å; R338-V341 PolarHBondContact O-N 3.1Å; E339-V341 VanDerWaalsContact C-N 3.31Å; E339-V341 PolarHBondContact O-N 3.23Å; V341-K345 HydrophobicContact CG1-CD 4.24Å; V341-K345 WeakPolarHBondContact O-CB 3.42Å; V341-K345 WeakPolarHBondContact O-CD 3.46Å; V341-K345 WeakPolarHBondContact O-CG 3.21Å; V341-K345 PolarHBondContact O-N 3.33Å; V341-K345 VanDerWaalsContact O-N 3.08Å |
| 342 | E | 98.3 | Very high | 98.2 | Very high | 126 Ų | 126 | 99.9 Ų | 99.9 | 59% | 0.589 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -71.6 | -42.7 | 174.6 | -75 | 174.8 | -167.9 | 0 | 0 | 111.5 | R338 E339 E340 L344 K345 E346 | R338-E342 WeakPolarHBondContact O-CG 3.45Å; R338-E342 PolarHBondContact O-N 3.1Å; E339-E342 PolarHBondContact O-N 3.41Å; E340-E342 VanDerWaalsContact C-N 3.34Å; E342-L344 PolarHBondContact O-N 2.87Å; E342-K345 WeakPolarHBondContact O-CB 3.46Å; E342-K345 PolarHBondContact O-N 2.9Å; E342-E346 PolarHBondContact O-N 2.91Å |
| 343 | V | 98.4 | Very high | 98.2 | Very high | 64 Ų | 64 | 100.4 Ų | 100.4 | 39% | 0.388 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.9 | -47.4 | 172.4 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | E339 E340 K345 E346 Q347 | E339-V343 WeakPolarHBondContact O-CG2 3.2Å; E339-V343 PolarHBondContact O-N 3.09Å; E340-V343 PolarHBondContact O-N 2.89Å; V343-K345 VanDerWaalsContact C-N 3.33Å; V343-K345 PolarHBondContact O-N 3.32Å; V343-E346 WeakPolarHBondContact O-CB 3.24Å; V343-E346 PolarHBondContact O-N 3.47Å; V343-E346 VanDerWaalsContact O-N 3.13Å; V343-Q347 HydrophobicContact CG1-CG 4.48Å; V343-Q347 WeakPolarHBondContact O-CG 3.42Å; V343-Q347 PolarHBondContact O-N 3.19Å |
| 344 | L | 98.6 | Very high | 98.2 | Very high | 90 Ų | 90 | 101.8 Ų | 101.8 | 47% | 0.471 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.9 | -38.8 | 177 | -73.4 | 168.9 | 0 | 0 | 0 | 112.3 | E340 E342 E346 Q347 I348 | E340-L344 WeakPolarHBondContact O-CB 3.12Å; E340-L344 VanDerWaalsContact O-CG 3.24Å; E340-L344 WeakPolarHBondContact O-CG 3.18Å; E340-L344 PolarHBondContact O-N 3.34Å; E342-L344 PolarHBondContact O-N 2.87Å; L344-E346 VanDerWaalsContact C-N 3.32Å; L344-Q347 PolarHBondContact O-N 3.11Å; L344-I348 WeakPolarHBondContact O-CB 3.47Å; L344-I348 WeakPolarHBondContact O-CD1 3.29Å; L344-I348 WeakPolarHBondContact O-CG1 3.48Å; L344-I348 PolarHBondContact O-N 2.81Å |
| 345 | K | 98.5 | Very high | 98.3 | Very high | 120 Ų | 120 | 101.1 Ų | 101.1 | 52% | 0.522 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.6 | -34.2 | 174.2 | -76.8 | 166.9 | -178.1 | 171.8 | 0 | 112.6 | V341 E342 V343 R349 | V341-K345 HydrophobicContact CG1-CD 4.24Å; V341-K345 WeakPolarHBondContact O-CB 3.42Å; V341-K345 WeakPolarHBondContact O-CD 3.46Å; V341-K345 WeakPolarHBondContact O-CG 3.21Å; V341-K345 PolarHBondContact O-N 3.33Å; V341-K345 VanDerWaalsContact O-N 3.08Å; E342-K345 WeakPolarHBondContact O-CB 3.46Å; E342-K345 PolarHBondContact O-N 2.9Å; V343-K345 VanDerWaalsContact C-N 3.33Å; V343-K345 PolarHBondContact O-N 3.32Å; K345-R349 WeakPolarHBondContact O-CB 3.45Å; K345-R349 PolarHBondContact O-N 2.75Å |
| 346 | E | 98.4 | Very high | 98.3 | Very high | 78 Ų | 78 | 97.8 Ų | 97.8 | 36% | 0.364 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.6 | -50 | 174.9 | -158.6 | 60.3 | -128.9 | 0 | 0 | 110.6 | E342 V343 L344 I348 R349 E350 | E342-E346 PolarHBondContact O-N 2.91Å; V343-E346 WeakPolarHBondContact O-CB 3.24Å; V343-E346 PolarHBondContact O-N 3.47Å; V343-E346 VanDerWaalsContact O-N 3.13Å; L344-E346 VanDerWaalsContact C-N 3.32Å; E346-I348 VanDerWaalsContact C-N 3.33Å; E346-I348 PolarHBondContact O-N 2.87Å; E346-R349 WeakPolarHBondContact O-CA 3.21Å; E346-R349 WeakPolarHBondContact O-CB 3.24Å; E346-R349 PolarHBondContact O-N 2.99Å; E346-R349 IonicContact OE1-CZ 3.29Å; E346-R349 VanDerWaalsContact OE1-CZ 3.29Å; E346-R349 IonicContact OE1-NH1 3.44Å; E346-R349 PolarHBondContact OE1-NH1 3.44Å; E346-R349 IonicContact OE1-NH2 2.66Å; E346-R349 IonicContact OE2-CZ 3.09Å; E346-R349 IonicContact OE2-NH1 3.36Å; E346-R349 PolarHBondContact OE2-NH1 3.3Å; E346-R349 IonicContact OE2-NH2 3.67Å; E346-R349 PolarHBondContact OE2-NH2 3.34Å; E346-E350 PolarHBondContact O-N 3.46Å |
| 347 | Q | 98.4 | Very high | 98.3 | Very high | 97 Ų | 97 | 98.8 Ų | 98.8 | 45% | 0.453 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.5 | -43.1 | 176.8 | -71.4 | 177.4 | -22.2 | 0 | 0 | 112.5 | V343 L344 R349 L351 | V343-Q347 HydrophobicContact CG1-CG 4.48Å; V343-Q347 WeakPolarHBondContact O-CG 3.42Å; V343-Q347 PolarHBondContact O-N 3.19Å; L344-Q347 PolarHBondContact O-N 3.11Å; Q347-R349 VanDerWaalsContact C-N 3.28Å; Q347-R349 PolarHBondContact O-N 3.37Å; Q347-L351 VanDerWaalsContact O-CB 3.27Å; Q347-L351 WeakPolarHBondContact O-CB 3.31Å; Q347-L351 WeakPolarHBondContact O-CG 3.26Å; Q347-L351 PolarHBondContact O-N 3.5Å |
| 348 | I | 98.5 | Very high | 98.2 | Very high | 117 Ų | 117 | 98.6 Ų | 98.6 | 60% | 0.6 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61 | -38.4 | 174.7 | -71.2 | 164.7 | 0 | 0 | 0 | 111 | L344 E346 A352 | L344-I348 WeakPolarHBondContact O-CB 3.47Å; L344-I348 WeakPolarHBondContact O-CD1 3.29Å; L344-I348 WeakPolarHBondContact O-CG1 3.48Å; L344-I348 PolarHBondContact O-N 2.81Å; E346-I348 VanDerWaalsContact C-N 3.33Å; E346-I348 PolarHBondContact O-N 2.87Å; I348-A352 VanDerWaalsContact O-CB 3.23Å; I348-A352 WeakPolarHBondContact O-CB 3.31Å; I348-A352 PolarHBondContact O-N 2.7Å |
| 349 | R | 98.6 | Very high | 98.2 | Very high | 131 Ų | 131 | 97.8 Ų | 97.8 | 49% | 0.494 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.3 | -49.4 | 179 | -164.8 | -171.5 | -46.2 | 132.8 | 27 | 111.8 | K345 E346 Q347 L351 A352 E353 | K345-R349 WeakPolarHBondContact O-CB 3.45Å; K345-R349 PolarHBondContact O-N 2.75Å; E346-R349 WeakPolarHBondContact O-CA 3.21Å; E346-R349 WeakPolarHBondContact O-CB 3.24Å; E346-R349 PolarHBondContact O-N 2.99Å; E346-R349 IonicContact OE1-CZ 3.29Å; E346-R349 VanDerWaalsContact OE1-CZ 3.29Å; E346-R349 IonicContact OE1-NH1 3.44Å; E346-R349 PolarHBondContact OE1-NH1 3.44Å; E346-R349 IonicContact OE1-NH2 2.66Å; E346-R349 IonicContact OE2-CZ 3.09Å; E346-R349 IonicContact OE2-NH1 3.36Å; E346-R349 PolarHBondContact OE2-NH1 3.3Å; E346-R349 IonicContact OE2-NH2 3.67Å; E346-R349 PolarHBondContact OE2-NH2 3.34Å; Q347-R349 VanDerWaalsContact C-N 3.28Å; Q347-R349 PolarHBondContact O-N 3.37Å; R349-L351 VanDerWaalsContact C-N 3.3Å; R349-L351 PolarHBondContact O-N 3.35Å; R349-A352 PolarHBondContact O-N 2.92Å; R349-E353 WeakPolarHBondContact O-CB 3.38Å; R349-E353 PolarHBondContact O-N 3.38Å |
| 350 | E | 98.4 | Very high | 98.1 | Very high | 98 Ų | 98 | 100.2 Ų | 100.2 | 46% | 0.458 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.5 | -39.3 | 176.6 | -70 | -172.8 | -174 | 0 | 0 | 112.2 | E346 R354 | E346-E350 PolarHBondContact O-N 3.46Å; E350-R354 WeakPolarHBondContact O-CB 3.29Å; E350-R354 PolarHBondContact O-N 3.44Å; E350-R354 PolarHBondContact O-NH1 3.43Å |
| 351 | L | 98.6 | Very high | 98 | Very high | 109 Ų | 109 | 99.6 Ų | 99.6 | 57% | 0.571 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68.9 | -39.7 | 175.7 | -73.1 | 171.6 | 0 | 0 | 0 | 111.7 | Q347 R349 N355 | Q347-L351 VanDerWaalsContact O-CB 3.27Å; Q347-L351 WeakPolarHBondContact O-CB 3.31Å; Q347-L351 WeakPolarHBondContact O-CG 3.26Å; Q347-L351 PolarHBondContact O-N 3.5Å; R349-L351 VanDerWaalsContact C-N 3.3Å; R349-L351 PolarHBondContact O-N 3.35Å; L351-N355 VanDerWaalsContact O-CB 3.24Å; L351-N355 WeakPolarHBondContact O-CB 3.39Å; L351-N355 PolarHBondContact O-N 3.47Å |
| 352 | A | 98.1 | Very high | 97.7 | Very high | 60 Ų | 60 | 100 Ų | 100 | 50% | 0.496 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.9 | -42.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I348 R349 N355 A356 | I348-A352 VanDerWaalsContact O-CB 3.23Å; I348-A352 WeakPolarHBondContact O-CB 3.31Å; I348-A352 PolarHBondContact O-N 2.7Å; R349-A352 PolarHBondContact O-N 2.92Å; A352-N355 PolarHBondContact O-N 3.49Å; A352-A356 WeakPolarHBondContact O-CB 3.49Å; A352-A356 PolarHBondContact O-N 3.38Å |
| 353 | E | 98.5 | Very high | 97.5 | Very high | 144 Ų | 144 | 95.8 Ų | 95.8 | 67% | 0.673 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.1 | -48 | 175.6 | -177.9 | 174 | -163.2 | 0 | 0 | 111.5 | R349 N355 A356 A357 | R349-E353 WeakPolarHBondContact O-CB 3.38Å; R349-E353 PolarHBondContact O-N 3.38Å; E353-N355 VanDerWaalsContact C-N 3.3Å; E353-N355 PolarHBondContact O-N 3.29Å; E353-A356 PolarHBondContact O-N 2.83Å; E353-A357 PolarHBondContact O-N 2.82Å |
| 354 | R | 98.3 | Very high | 97.3 | Very high | 138 Ų | 138 | 97.6 Ų | 97.6 | 52% | 0.521 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.6 | -40.3 | 175.2 | -176.3 | -177.2 | -75 | 102.1 | -9 | 111.7 | E350 A357 L358 | E350-R354 WeakPolarHBondContact O-CB 3.29Å; E350-R354 PolarHBondContact O-N 3.44Å; E350-R354 PolarHBondContact O-NH1 3.43Å; R354-A357 PolarHBondContact O-N 3.37Å; R354-L358 HydrophobicContact CG-CD1 4.18Å; R354-L358 WeakPolarHBondContact O-CB 3.48Å; R354-L358 VanDerWaalsContact O-CG 3.3Å; R354-L358 WeakPolarHBondContact O-CG 3.33Å; R354-L358 PolarHBondContact O-N 2.92Å |
| 355 | N | 97.9 | Very high | 97 | Very high | 83 Ų | 83 | 97.7 Ų | 97.7 | 44% | 0.444 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.5 | -43.9 | 176.6 | -169.1 | 32 | 0 | 0 | 0 | 111.5 | L351 A352 E353 A357 L358 E359 | L351-N355 VanDerWaalsContact O-CB 3.24Å; L351-N355 WeakPolarHBondContact O-CB 3.39Å; L351-N355 PolarHBondContact O-N 3.47Å; A352-N355 PolarHBondContact O-N 3.49Å; E353-N355 VanDerWaalsContact C-N 3.3Å; E353-N355 PolarHBondContact O-N 3.29Å; N355-A357 VanDerWaalsContact C-N 3.32Å; N355-A357 PolarHBondContact O-N 3.01Å; N355-L358 CarbonylContact O-C 3.58Å; N355-L358 PolarHBondContact O-N 3.46Å; N355-L358 VanDerWaalsContact O-N 3.16Å; N355-E359 WeakPolarHBondContact O-CB 3.31Å; N355-E359 WeakPolarHBondContact O-CG 3.32Å; N355-E359 PolarHBondContact O-N 3.23Å |
| 356 | A | 98.2 | Very high | 96.4 | Very high | 55 Ų | 55 | 100.2 Ų | 100.2 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60 | -40.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A352 E353 E359 Q360 | A352-A356 WeakPolarHBondContact O-CB 3.49Å; A352-A356 PolarHBondContact O-N 3.38Å; E353-A356 PolarHBondContact O-N 2.83Å; A356-E359 PolarHBondContact O-N 3.46Å; A356-Q360 PolarHBondContact O-N 2.89Å |
| 357 | A | 97.3 | Very high | 95.8 | Very high | 54 Ų | 54 | 100.5 Ų | 100.5 | 45% | 0.446 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64 | -44.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E353 R354 N355 Q360 E361 | E353-A357 PolarHBondContact O-N 2.82Å; R354-A357 PolarHBondContact O-N 3.37Å; N355-A357 VanDerWaalsContact C-N 3.32Å; N355-A357 PolarHBondContact O-N 3.01Å; A357-Q360 WeakPolarHBondContact O-CB 3.28Å; A357-Q360 PolarHBondContact O-N 3.45Å; A357-E361 PolarHBondContact O-N 3.49Å |
| 358 | L | 97.6 | Very high | 95.1 | Very high | 78 Ų | 78 | 102.4 Ų | 102.4 | 41% | 0.408 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.1 | -35 | 175.9 | -72 | 169.9 | 0 | 0 | 0 | 112.6 | R354 N355 E361 N362 | R354-L358 HydrophobicContact CG-CD1 4.18Å; R354-L358 WeakPolarHBondContact O-CB 3.48Å; R354-L358 VanDerWaalsContact O-CG 3.3Å; R354-L358 WeakPolarHBondContact O-CG 3.33Å; R354-L358 PolarHBondContact O-N 2.92Å; N355-L358 CarbonylContact O-C 3.58Å; N355-L358 PolarHBondContact O-N 3.46Å; N355-L358 VanDerWaalsContact O-N 3.16Å; L358-E361 PolarHBondContact O-N 3.39Å; L358-N362 VanDerWaalsContact O-CB 3.29Å; L358-N362 WeakPolarHBondContact O-CB 3.47Å; L358-N362 PolarHBondContact O-N 3.38Å; L358-N362 PolarHBondContact O-ND2 3.05Å |
| 359 | E | 96.1 | Very high | 94.3 | Very high | 125 Ų | 125 | 98.4 Ų | 98.4 | 58% | 0.584 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.1 | -39.5 | 173.9 | -76.2 | -178.9 | 173.3 | 0 | 0 | 111.5 | N355 A356 G363 | N355-E359 WeakPolarHBondContact O-CB 3.31Å; N355-E359 WeakPolarHBondContact O-CG 3.32Å; N355-E359 PolarHBondContact O-N 3.23Å; A356-E359 PolarHBondContact O-N 3.46Å; E359-G363 PolarHBondContact O-N 3.3Å |
| 360 | Q | 96.8 | Very high | 93 | Very high | 154 Ų | 154 | 94.1 Ų | 94.1 | 72% | 0.72 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.8 | -46.9 | 172.8 | -175.1 | -176.8 | 6.7 | 0 | 0 | 111.5 | A356 A357 G363 L364 | A356-Q360 PolarHBondContact O-N 2.89Å; A357-Q360 WeakPolarHBondContact O-CB 3.28Å; A357-Q360 PolarHBondContact O-N 3.45Å; Q360-G363 PolarHBondContact O-N 2.86Å; Q360-L364 PolarHBondContact O-N 3.33Å |
| 361 | E | 96.1 | Very high | 91.5 | Very high | 107 Ų | 107 | 94.6 Ų | 94.6 | 50% | 0.5 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.4 | -48.4 | 177 | -172.6 | -177 | 177.8 | 0 | 0 | 111.3 | A357 L358 G363 L364 L365 | A357-E361 PolarHBondContact O-N 3.49Å; L358-E361 PolarHBondContact O-N 3.39Å; E361-G363 VanDerWaalsContact C-N 3.27Å; E361-G363 PolarHBondContact O-N 3.04Å; E361-L364 PolarHBondContact O-N 3Å; E361-L364 VanDerWaalsContact O-N 3.16Å; E361-L365 HydrophobicContact CG-CD1 4.08Å; E361-L365 HydrophobicContact CG-CG 4.41Å; E361-L365 WeakPolarHBondContact O-CB 3.45Å; E361-L365 WeakPolarHBondContact O-CG 3.41Å; E361-L365 PolarHBondContact O-N 3.12Å |
| 362 | N | 93.1 | Very high | 89.7 | Confident | 73 Ų | 73 | 96.5 Ų | 96.5 | 39% | 0.39 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61 | -36 | 175.6 | -86 | -85.6 | 0 | 0 | 0 | 112.3 | L358 R366 | L358-N362 VanDerWaalsContact O-CB 3.29Å; L358-N362 WeakPolarHBondContact O-CB 3.47Å; L358-N362 PolarHBondContact O-N 3.38Å; L358-N362 PolarHBondContact O-ND2 3.05Å; N362-R366 WeakPolarHBondContact O-CB 3.4Å; N362-R366 VanDerWaalsContact O-CG 3.26Å; N362-R366 WeakPolarHBondContact O-CG 3.36Å; N362-R366 PolarHBondContact O-N 3.38Å |
| 363 | G | 93.6 | Very high | 88.1 | Confident | 37 Ų | 37 | 99.2 Ų | 99.2 | 38% | 0.381 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.5 | -46.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E359 Q360 E361 R366 A367 | E359-G363 PolarHBondContact O-N 3.3Å; Q360-G363 PolarHBondContact O-N 2.86Å; E361-G363 VanDerWaalsContact C-N 3.27Å; E361-G363 PolarHBondContact O-N 3.04Å; G363-R366 PolarHBondContact O-N 3.38Å; G363-A367 WeakPolarHBondContact O-CB 3.4Å; G363-A367 PolarHBondContact O-N 3.01Å |
| 364 | L | 94.1 | Very high | 86.3 | Confident | 101 Ų | 101 | 95.9 Ų | 95.9 | 53% | 0.529 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.4 | -45.1 | 176.3 | -178.5 | 147.2 | 0 | 0 | 0 | 111.8 | Q360 E361 R366 A367 L368 | Q360-L364 PolarHBondContact O-N 3.33Å; E361-L364 PolarHBondContact O-N 3Å; E361-L364 VanDerWaalsContact O-N 3.16Å; L364-R366 VanDerWaalsContact C-N 3.34Å; L364-R366 PolarHBondContact O-N 3.33Å; L364-A367 PolarHBondContact O-N 3Å; L364-A367 VanDerWaalsContact O-N 3.11Å; L364-L368 HydrophobicContact CD2-CD1 3.56Å; L364-L368 HydrophobicContact CD2-CG 4.33Å; L364-L368 HydrophobicContact CG-CD1 4.16Å; L364-L368 WeakPolarHBondContact O-CG 3.5Å; L364-L368 PolarHBondContact O-N 3.17Å |
| 365 | L | 91.3 | Very high | 84.7 | Confident | 93 Ų | 93 | 93.2 Ų | 93.2 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.7 | -41.2 | 176.1 | -70.3 | 173.3 | 0 | 0 | 0 | 111.7 | E361 A367 L368 A369 | E361-L365 HydrophobicContact CG-CD1 4.08Å; E361-L365 HydrophobicContact CG-CG 4.41Å; E361-L365 WeakPolarHBondContact O-CB 3.45Å; E361-L365 WeakPolarHBondContact O-CG 3.41Å; E361-L365 PolarHBondContact O-N 3.12Å; L365-A367 VanDerWaalsContact C-N 3.33Å; L365-A367 PolarHBondContact O-N 2.86Å; L365-L368 PolarHBondContact O-N 2.91Å; L365-A369 VanDerWaalsContact O-CB 3.24Å; L365-A369 WeakPolarHBondContact O-CB 3.23Å; L365-A369 PolarHBondContact O-N 2.87Å |
| 366 | R | 87 | Confident | 82.9 | Confident | 173 Ų | 173 | 96.6 Ų | 96.6 | 65% | 0.653 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.3 | -32.2 | 173.5 | -76.4 | 174.9 | -178.2 | 153.9 | 4.3 | 113.4 | N362 G363 L364 | N362-R366 WeakPolarHBondContact O-CB 3.4Å; N362-R366 VanDerWaalsContact O-CG 3.26Å; N362-R366 WeakPolarHBondContact O-CG 3.36Å; N362-R366 PolarHBondContact O-N 3.38Å; G363-R366 PolarHBondContact O-N 3.38Å; L364-R366 VanDerWaalsContact C-N 3.34Å; L364-R366 PolarHBondContact O-N 3.33Å |
| 367 | A | 86.1 | Confident | 81 | Confident | 83 Ų | 83 | 99.4 Ų | 99.4 | 69% | 0.686 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -75.7 | -27.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | G363 L364 L365 | G363-A367 WeakPolarHBondContact O-CB 3.4Å; G363-A367 PolarHBondContact O-N 3.01Å; L364-A367 PolarHBondContact O-N 3Å; L364-A367 VanDerWaalsContact O-N 3.11Å; L365-A367 VanDerWaalsContact C-N 3.33Å; L365-A367 PolarHBondContact O-N 2.86Å |
| 368 | L | 83.8 | Confident | 78.8 | Confident | 138 Ų | 138 | 102.1 Ų | 102.1 | 72% | 0.723 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -95.1 | -20.9 | 179.2 | -63.9 | -177.8 | 0 | 0 | 0 | 114.2 | L364 L365 | L364-L368 HydrophobicContact CD2-CD1 3.56Å; L364-L368 HydrophobicContact CD2-CG 4.33Å; L364-L368 HydrophobicContact CG-CD1 4.16Å; L364-L368 WeakPolarHBondContact O-CG 3.5Å; L364-L368 PolarHBondContact O-N 3.17Å; L365-L368 PolarHBondContact O-N 2.91Å |
| 369 | A | 81.4 | Confident | 76.8 | Confident | 33 Ų | 33 | 104.3 Ų | 104.3 | 27% | 0.273 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -69.9 | 139 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | L365 L374 | L365-A369 VanDerWaalsContact O-CB 3.24Å; L365-A369 WeakPolarHBondContact O-CB 3.23Å; L365-A369 PolarHBondContact O-N 2.87Å; A369-L374 HydrophobicContact CB-CD1 4.18Å; A369-L374 HydrophobicContact CB-CD2 3.84Å; A369-L374 HydrophobicContact CB-CG 3.81Å |
| 370 | S | 70.8 | Confident | 74.5 | Confident | 41 Ų | 41 | 102.9 Ų | 102.9 | 29% | 0.287 | 58% | 0.581 | S | S | . | * | | | trans | -68.8 | 148.4 | 175.8 | 100.7 | 0 | 0 | 0 | 0 | 110.8 | E372 Q373 L374 | S370-E372 PolarHBondContact O-N 3.37Å; S370-E372 PolarHBondContact OG-N 3.4Å; S370-Q373 PolarHBondContact O-N 3.49Å; S370-Q373 WeakPolarHBondContact OG-CG 3.44Å; S370-Q373 PolarHBondContact OG-N 3.1Å; S370-L374 PolarHBondContact O-N 3.38Å |
| 371 | P | 66.3 | Low | 72.1 | Confident | 108 Ų | 108 | 99.2 Ų | 99.2 | 70% | 0.701 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -60.1 | -28.3 | 178.1 | 22.5 | -32.5 | 0 | 0 | 0 | 112.8 | A375 | P371-A375 WeakPolarHBondContact O-CB 3.47Å; P371-A375 PolarHBondContact O-N 3.1Å; P371-A375 VanDerWaalsContact O-N 3.11Å |
| 372 | E | 61.3 | Low | 69.7 | Low | 148 Ų | 148 | 99.3 Ų | 99.3 | 69% | 0.692 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -73.7 | -31.2 | 174.6 | -64.1 | -174.6 | 150.5 | 0 | 0 | 112.9 | S370 Q376 | S370-E372 PolarHBondContact O-N 3.37Å; S370-E372 PolarHBondContact OG-N 3.4Å; E372-Q376 WeakPolarHBondContact O-CG 3.26Å; E372-Q376 PolarHBondContact O-N 3.2Å; E372-Q376 PolarHBondContact O-NE2 3.08Å |
| 373 | Q | 65.6 | Low | 67.3 | Low | 117 Ų | 117 | 101 Ų | 101 | 55% | 0.547 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -73.5 | -39.8 | 174.8 | -70.1 | 171.3 | -46.4 | 0 | 0 | 111.2 | S370 A375 Q376 L377 | S370-Q373 PolarHBondContact O-N 3.49Å; S370-Q373 WeakPolarHBondContact OG-CG 3.44Å; S370-Q373 PolarHBondContact OG-N 3.1Å; Q373-A375 VanDerWaalsContact C-N 3.31Å; Q373-A375 PolarHBondContact O-N 3.44Å; Q373-Q376 PolarHBondContact O-N 3.05Å; Q373-L377 PolarHBondContact O-N 3.42Å |
| 374 | L | 60.6 | Low | 65 | Low | 74 Ų | 74 | 110.3 Ų | 110.3 | 39% | 0.387 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -65.1 | -34.1 | 174.7 | -68.2 | 172.6 | 0 | 0 | 0 | 112.3 | A369 S370 Q376 L377 | A369-L374 HydrophobicContact CB-CD1 4.18Å; A369-L374 HydrophobicContact CB-CD2 3.84Å; A369-L374 HydrophobicContact CB-CG 3.81Å; S370-L374 PolarHBondContact O-N 3.38Å; L374-Q376 VanDerWaalsContact C-N 3.33Å; L374-L377 HydrophobicContact CD2-CD1 4.34Å |
| 375 | A | 65 | Low | 63 | Low | 83 Ų | 83 | 113.2 Ų | 113.2 | 69% | 0.686 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -74.3 | -18.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | P371 Q373 | P371-A375 WeakPolarHBondContact O-CB 3.47Å; P371-A375 PolarHBondContact O-N 3.1Å; P371-A375 VanDerWaalsContact O-N 3.11Å; Q373-A375 VanDerWaalsContact C-N 3.31Å; Q373-A375 PolarHBondContact O-N 3.44Å |
| 376 | Q | 59.2 | Low | 61 | Low | 154 Ų | 154 | 111.6 Ų | 111.6 | 72% | 0.72 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -90.5 | -13.6 | 177.5 | -79 | 172.4 | 83.3 | 0 | 0 | 113.8 | E372 Q373 L374 | E372-Q376 WeakPolarHBondContact O-CG 3.26Å; E372-Q376 PolarHBondContact O-N 3.2Å; E372-Q376 PolarHBondContact O-NE2 3.08Å; Q373-Q376 PolarHBondContact O-N 3.05Å; L374-Q376 VanDerWaalsContact C-N 3.33Å |
| 377 | L | 57.9 | Low | 59.3 | Low | 113 Ų | 113 | 109.3 Ų | 109.3 | 59% | 0.592 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -62.4 | 126.7 | 164.9 | -66.5 | 172.9 | 0 | 0 | 0 | 107.6 | Q373 L374 S379 | Q373-L377 PolarHBondContact O-N 3.42Å; L374-L377 HydrophobicContact CD2-CD1 4.34Å; L377-S379 PolarHBondContact O-N 2.84Å |
| 378 | P | 52.3 | Low | 57.5 | Low | 112 Ų | 112 | 111 Ų | 111 | 73% | 0.727 | 67% | 0.666 | S | S | * | * | | | trans | -54.9 | 135.4 | 170.8 | 25.4 | -33.2 | 0 | 0 | 0 | 107.2 | S380 | P378-S380 PolarHBondContact O-N 3.27Š|
| 379 | S | 54.8 | Low | 55.5 | Low | 123 Ų | 123 | 108.6 Ų | 108.6 | 86% | 0.86 | 67% | 0.666 | S | S | * | * | | | trans | -65.4 | 84 | 179.4 | 52.2 | 0 | 0 | 0 | 0 | 109.1 | L377 G381 | L377-S379 PolarHBondContact O-N 2.84Å; S379-G381 PolarHBondContact O-N 3.45Å |
| 380 | S | 46.8 | Very low | 54.3 | Low | 96 Ų | 96 | 112.4 Ų | 112.4 | 67% | 0.671 | 69% | 0.688 | S | S | * | * | | | trans | -55.8 | 116.4 | -177.1 | -177.7 | 0 | 0 | 0 | 0 | 106.8 | P378 V382 | P378-S380 PolarHBondContact O-N 3.27Å; S380-V382 PolarHBondContact O-N 3.12Å |
| 381 | G | 46.8 | Very low | 53.2 | Low | 77 Ų | 77 | 118 Ų | 118 | 79% | 0.794 | 72% | 0.715 | S | S | * | * | | | trans | -71.9 | 46.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S379 P383 | S379-G381 PolarHBondContact O-N 3.45Å; G381-P383 VanDerWaalsContact O-CD 3.29Å; G381-P383 WeakPolarHBondContact O-CD 3.21Å |
| 382 | V | 45.5 | Very low | 52.3 | Low | 108 Ų | 108 | 116.1 Ų | 116.1 | 66% | 0.655 | 72% | 0.715 | S | S | * | * | | | trans | -68.5 | 116.7 | 168.3 | -172.1 | 0 | 0 | 0 | 0 | 106.4 | S380 R384 | S380-V382 PolarHBondContact O-N 3.12Å; V382-R384 PolarHBondContact O-N 2.62Å |
| 383 | P | 44.1 | Very low | 52 | Low | 108 Ų | 108 | 115 Ų | 115 | 70% | 0.701 | 72% | 0.72 | S | S | * | * | | | trans | -59.5 | 117.2 | 173.4 | -20.9 | 33.7 | 0 | 0 | 0 | 108.1 | G381 L385 | G381-P383 VanDerWaalsContact O-CD 3.29Å; G381-P383 WeakPolarHBondContact O-CD 3.21Å; P383-L385 VanDerWaalsContact C-N 3.32Å; P383-L385 PolarHBondContact O-N 2.73Å |
| 384 | R | 44.4 | Very low | 50.9 | Low | 234 Ų | 234 | 115.4 Ų | 115.4 | 88% | 0.883 | 74% | 0.736 | S | S | * | * | | | trans | -57.9 | 97.4 | 172.1 | 178.9 | -175.6 | 178.5 | -156.1 | 1.9 | 107.9 | V382 G386 | V382-R384 PolarHBondContact O-N 2.62Å; R384-G386 PolarHBondContact O-N 3.28Å |
| 385 | L | 51.8 | Low | 50.1 | Low | 162 Ų | 162 | 121.8 Ų | 121.8 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 134.3 | 170.2 | -74.1 | 170.7 | 0 | 0 | 0 | 107.7 | P383 | P383-L385 VanDerWaalsContact C-N 3.32Å; P383-L385 PolarHBondContact O-N 2.73Å |
| 386 | G | 48.7 | Very low | 49.4 | Very low | 58 Ų | 58 | 123.8 Ų | 123.8 | 60% | 0.598 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 168.9 | -164.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R384 S388 | R384-G386 PolarHBondContact O-N 3.28Å; G386-S388 PolarHBondContact O-N 2.99Å |
| 387 | P | 53.2 | Low | 48.9 | Very low | 126 Ų | 126 | 122.2 Ų | 122.2 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -54.6 | 140.7 | 173.8 | 25.7 | -34.4 | 0 | 0 | 0 | 110.7 | A389 | P387-A389 PolarHBondContact O-N 3.31Š|
| 388 | S | 46.8 | Very low | 48.4 | Very low | 119 Ų | 119 | 122.7 Ų | 122.7 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 129.4 | -178.3 | -166.9 | 0 | 0 | 0 | 0 | 111.4 | G386 | G386-S388 PolarHBondContact O-N 2.99Š|
| 389 | A | 43 | Very low | 48.1 | Very low | 87 Ų | 87 | 123.3 Ų | 123.3 | 72% | 0.719 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 126.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110 | P387 N391 | P387-A389 PolarHBondContact O-N 3.31Å; A389-N391 PolarHBondContact O-N 3.3Å |
| 390 | P | 55.9 | Low | 47.7 | Very low | 112 Ų | 112 | 123.3 Ų | 123.3 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 123.5 | 178.6 | 29 | -33 | 0 | 0 | 0 | 110.6 | | |
| 391 | N | 47.6 | Very low | 47.8 | Very low | 159 Ų | 159 | 125.1 Ų | 125.1 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | | | trans | 56 | 100.9 | 155 | -51.4 | -35.8 | 0 | 0 | 0 | 117.1 | A389 | A389-N391 PolarHBondContact O-N 3.3Š|
| 392 | G | 48.1 | Very low | 47.9 | Very low | 69 Ų | 69 | 128.6 Ų | 128.6 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 152 | 155.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 393 | P | 53.1 | Low | 48 | Very low | 123 Ų | 123 | 130.2 Ų | 130.2 | 80% | 0.799 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 136.5 | -178.4 | 28.9 | -34.6 | 0 | 0 | 0 | 111.6 | | |
| 394 | S | 43.4 | Very low | 48.4 | Very low | 126 Ų | 126 | 132 Ų | 132 | 88% | 0.881 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 133.9 | 163.8 | -57.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 395 | V | 44.3 | Very low | 48.7 | Very low | 209 Ų | 209 | 122.7 Ų | 122.7 | 100% | 1.267 | 82% | 0.823 | S | S | * | * | | | trans | -125.1 | 0 | 164.9 | 175 | 0 | 0 | 0 | 0 | 107 | | |