| 1 | M | 39.6 | Very low | 47.1 | Very low | 234 Ų | 234 | 149.5 Ų | 149.5 | 100% | 1.153 | 84% | 0.839 | S | S | * | * | | | | 0 | 122.9 | 0 | -174.9 | 164.3 | -164.6 | 0 | 0 | 107.7 | | |
| 2 | V | 42 | Very low | 47.6 | Very low | 125 Ų | 125 | 151.2 Ų | 151.2 | 76% | 0.758 | 84% | 0.844 | S | S | * | * | | | trans | 59 | 112.1 | 168 | -112.4 | 0 | 0 | 0 | 0 | 121.3 | | |
| 3 | Q | 54.8 | Low | 48.2 | Very low | 175 Ų | 175 | 145.4 Ų | 145.4 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | | | trans | -61 | 148.4 | 143.2 | -68.6 | 165.2 | 13.4 | 0 | 0 | 110.5 | | |
| 4 | Q | 46.1 | Very low | 49 | Very low | 179 Ų | 179 | 147.1 Ų | 147.1 | 84% | 0.836 | 83% | 0.825 | S | S | * | * | | | trans | -156.2 | 149.9 | 137.3 | -90 | -43.9 | -77.5 | 0 | 0 | 112.6 | | |
| 5 | L | 59.1 | Low | 49.4 | Very low | 127 Ų | 127 | 148.6 Ų | 148.6 | 67% | 0.665 | 83% | 0.829 | S | S | * | * | | | trans | -95.2 | 149.1 | -159.3 | 171.8 | 70.9 | 0 | 0 | 0 | 112.6 | | |
| 6 | S | 47.4 | Very low | 49.9 | Very low | 121 Ų | 121 | 144 Ų | 144 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | | | trans | -150.6 | 147.1 | 145.3 | 56.2 | 0 | 0 | 0 | 0 | 113 | | |
| 7 | K | 52.2 | Low | 50.8 | Low | 174 Ų | 174 | 149.2 Ų | 149.2 | 76% | 0.757 | 81% | 0.814 | S | S | * | * | | | trans | -90.1 | 174.2 | -162.2 | -106.7 | 119.7 | 169.6 | 176.2 | 0 | 113.6 | | |
| 8 | S | 39.6 | Very low | 51.4 | Low | 122 Ų | 122 | 146.3 Ų | 146.3 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | | | trans | 88.9 | 129.8 | 162.7 | 79.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 9 | G | 44.8 | Very low | 52.2 | Low | 74 Ų | 74 | 141.6 Ų | 141.6 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | | | cis | 111.5 | 99.2 | 15.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 10 | A | 40.2 | Very low | 53 | Low | 105 Ų | 105 | 142.6 Ų | 142.6 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | | | trans | 171.9 | 132.1 | 149.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 11 | K | 52.7 | Low | 53.3 | Low | 209 Ų | 209 | 139.8 Ų | 139.8 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | | | trans | -84 | 128.1 | 175.1 | -62.4 | -171.7 | 174 | -175.6 | 0 | 108.7 | | |
| 12 | D | 52.8 | Low | 54.4 | Low | 169 Ų | 169 | 135 Ų | 135 | 90% | 0.904 | 77% | 0.773 | S | S | * | * | | | trans | -80 | 135.6 | 174.7 | -143.7 | -65.1 | 0 | 0 | 0 | 110.7 | | |
| 13 | A | 55 | Low | 55.4 | Low | 76 Ų | 76 | 133.3 Ų | 133.3 | 63% | 0.628 | 77% | 0.771 | S | S | * | * | | | trans | -107 | 113.1 | -153.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | L15 | A13-L15 PolarHBondContact O-N 2.89Š|
| 14 | H | 59.3 | Low | 55.9 | Low | 170 Ų | 170 | 129 Ų | 129 | 79% | 0.787 | 76% | 0.757 | S | S | * | * | | | trans | -63 | 121 | 163.8 | -170.1 | -85.2 | 0 | 0 | 0 | 108.1 | L16 | H14-L16 WeakPolarHBondContact O-CG 3.32Å; H14-L16 PolarHBondContact O-N 3.27Å |
| 15 | L | 54.9 | Low | 56.6 | Low | 169 Ų | 169 | 130 Ų | 130 | 89% | 0.885 | 76% | 0.758 | S | S | * | * | | | trans | -55.9 | 98.2 | -173.8 | -72.7 | 171.5 | 0 | 0 | 0 | 112 | A13 | A13-L15 PolarHBondContact O-N 2.89Š|
| 16 | L | 58.1 | Low | 56.3 | Low | 75 Ų | 75 | 128.8 Ų | 128.8 | 39% | 0.393 | 77% | 0.767 | S | S | . | * | | | trans | -91.5 | 140.4 | 164.8 | -64.5 | 163.7 | 0 | 0 | 0 | 106.2 | H14 A18 G19 | H14-L16 WeakPolarHBondContact O-CG 3.32Å; H14-L16 PolarHBondContact O-N 3.27Å; L16-A18 PolarHBondContact O-N 3.32Å; L16-G19 VanDerWaalsContact CB-N 3.33Å; L16-G19 WeakPolarHBondContact CD1-O 3.49Å; L16-G19 PolarHBondContact O-N 3.36Å; L16-G19 VanDerWaalsContact O-N 3.12Å |
| 17 | K | 64.5 | Low | 56.9 | Low | 232 Ų | 232 | 126.3 Ų | 126.3 | 100% | 1.009 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | -11.6 | 179.7 | -76.3 | -154.2 | 173.7 | -171.7 | 0 | 114.4 | | |
| 18 | A | 61.4 | Low | 57.3 | Low | 98 Ų | 98 | 121.4 Ų | 121.4 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.7 | 28.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L16 H20 | L16-A18 PolarHBondContact O-N 3.32Å; A18-H20 VanDerWaalsContact C-N 3.27Å; A18-H20 PolarHBondContact O-N 3.13Å |
| 19 | G | 67.1 | Low | 58.6 | Low | 56 Ų | 56 | 124.2 Ų | 124.2 | 58% | 0.577 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 71.8 | -4.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | L16 | L16-G19 VanDerWaalsContact CB-N 3.33Å; L16-G19 WeakPolarHBondContact CD1-O 3.49Å; L16-G19 PolarHBondContact O-N 3.36Å; L16-G19 VanDerWaalsContact O-N 3.12Å |
| 20 | H | 68.3 | Low | 59.6 | Low | 162 Ų | 162 | 131.3 Ų | 131.3 | 75% | 0.75 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -125.4 | 131 | -176.6 | -127.6 | -57.8 | 0 | 0 | 0 | 112.9 | A18 | A18-H20 VanDerWaalsContact C-N 3.27Å; A18-H20 PolarHBondContact O-N 3.13Å |
| 21 | P | 59.7 | Low | 60.5 | Low | 84 Ų | 84 | 132.9 Ų | 132.9 | 55% | 0.545 | 76% | 0.759 | S | S | . | * | P | Polyproline II helix | trans | -66.5 | 142.4 | 171.5 | 26.3 | -34 | 0 | 0 | 0 | 110.8 | A23 | P21-A23 PolarHBondContact O-N 2.76Š|
| 22 | P | 62.8 | Low | 61.1 | Low | 134 Ų | 134 | 127 Ų | 127 | 87% | 0.87 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 128.2 | -176.3 | 20 | -29.6 | 0 | 0 | 0 | 111.9 | | |
| 23 | A | 63.7 | Low | 61.5 | Low | 88 Ų | 88 | 128.2 Ų | 128.2 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -72 | 123.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | P21 K25 | P21-A23 PolarHBondContact O-N 2.76Å; A23-K25 PolarHBondContact O-N 3.05Å |
| 24 | V | 63.7 | Low | 61.8 | Low | 86 Ų | 86 | 133.8 Ų | 133.8 | 52% | 0.521 | 76% | 0.756 | S | S | . | * | | | trans | -62.3 | 109.1 | 156.2 | 171.8 | 0 | 0 | 0 | 0 | 107.5 | R30 | V24-R30 HydrophobicContact CG2-CG 3.99Š|
| 25 | K | 60.6 | Low | 61.2 | Low | 198 Ų | 198 | 131.5 Ų | 131.5 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | | | trans | -166.8 | 103.8 | 163.1 | -145.3 | 159.4 | 177.5 | 175.7 | 0 | 106.5 | A23 | A23-K25 PolarHBondContact O-N 3.05Š|
| 26 | A | 53.3 | Low | 60.6 | Low | 103 Ų | 103 | 131.3 Ų | 131.3 | 85% | 0.851 | 75% | 0.754 | S | S | * | * | S | Bend | cis | -135.8 | 154.4 | 37.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 27 | G | 61.3 | Low | 60 | Low | 68 Ų | 68 | 135 Ų | 135 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | S | Bend | trans | 109.4 | 12.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | K29 | G27-K29 PolarHBondContact O-N 2.95Š|
| 28 | G | 58.7 | Low | 58.9 | Low | 72 Ų | 72 | 130.4 Ų | 130.4 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 59.4 | 14.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 29 | K | 67.3 | Low | 57.8 | Low | 181 Ų | 181 | 128.8 Ų | 128.8 | 79% | 0.787 | 75% | 0.748 | S | S | * | * | | | trans | -118 | 111.9 | 178.4 | -68.2 | -168.7 | 179.2 | -163.8 | 0 | 109.9 | G27 | G27-K29 PolarHBondContact O-N 2.95Š|
| 30 | R | 67.3 | Low | 56.3 | Low | 222 Ų | 222 | 131.7 Ų | 131.7 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | | | trans | -77.3 | 120.8 | 170 | -61.7 | -178 | 70.1 | -119.7 | 0.8 | 107.5 | V24 | V24-R30 HydrophobicContact CG2-CG 3.99Š|
| 31 | V | 58.7 | Low | 54.8 | Low | 138 Ų | 138 | 128.6 Ų | 128.6 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | | | trans | -95.1 | 114.9 | 165.1 | -178.2 | 0 | 0 | 0 | 0 | 107.2 | | |
| 32 | A | 63.7 | Low | 53.7 | Low | 85 Ų | 85 | 133.2 Ų | 133.2 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | | | trans | -70.2 | 131.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | K34 | A32-K34 PolarHBondContact O-N 3.46Š|
| 33 | K | 62.6 | Low | 52.5 | Low | 196 Ų | 196 | 130.2 Ų | 130.2 | 85% | 0.852 | 77% | 0.769 | S | S | * | * | | | trans | -69.1 | 99 | 166.7 | -176.4 | -176.1 | 177.5 | -174.6 | 0 | 107.3 | T35 | K33-T35 PolarHBondContact O-N 3.47Š|
| 34 | K | 60.3 | Low | 51.2 | Low | 192 Ų | 192 | 130.8 Ų | 130.8 | 84% | 0.835 | 76% | 0.764 | S | S | * | * | | | trans | -69.6 | 117.9 | 164 | 36.2 | -178.4 | 172.9 | 175.6 | 0 | 107.7 | A32 L36 | A32-K34 PolarHBondContact O-N 3.46Å; K34-L36 PolarHBondContact O-N 3.26Å |
| 35 | T | 46.3 | Very low | 50.4 | Low | 123 Ų | 123 | 133.4 Ų | 133.4 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | | | trans | -65.4 | 111.7 | 167.6 | -59.2 | 0 | 0 | 0 | 0 | 106.8 | K33 E37 | K33-T35 PolarHBondContact O-N 3.47Å; T35-E37 PolarHBondContact O-N 3.01Å |
| 36 | L | 42.7 | Very low | 49.7 | Very low | 165 Ų | 165 | 132.2 Ų | 132.2 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | | | trans | -80.5 | 97.3 | 167.5 | 175 | 67.6 | 0 | 0 | 0 | 106.3 | K34 | K34-L36 PolarHBondContact O-N 3.26Š|
| 37 | E | 46.6 | Very low | 49.5 | Very low | 153 Ų | 153 | 137.4 Ų | 137.4 | 72% | 0.715 | 78% | 0.784 | S | S | * | * | | | trans | -105.8 | 126 | 156 | -166.9 | -146.9 | 102.2 | 0 | 0 | 106.1 | T35 | T35-E37 PolarHBondContact O-N 3.01Š|
| 38 | D | 40.9 | Very low | 48.6 | Very low | 135 Ų | 135 | 142.8 Ų | 142.8 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | | | trans | 62.1 | 131.4 | 161.5 | -78.7 | -64.5 | 0 | 0 | 0 | 121.5 | | |
| 39 | G | 38.6 | Very low | 47.8 | Very low | 64 Ų | 64 | 145.1 Ų | 145.1 | 66% | 0.66 | 79% | 0.791 | S | S | * | * | | | trans | 122.4 | 93.7 | 152.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 40 | S | 35.1 | Very low | 46.5 | Very low | 117 Ų | 117 | 144.6 Ų | 144.6 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | 54.9 | 110.5 | 144.6 | 66.7 | 0 | 0 | 0 | 0 | 121.3 | | |
| 41 | A | 37 | Very low | 45.4 | Very low | 97 Ų | 97 | 144.5 Ų | 144.5 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | | | | 51.6 | 97.7 | 123.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | G43 | A41-G43 PolarHBondContact O-N 3.08Š|
| 42 | H | 37 | Very low | 44.4 | Very low | 181 Ų | 181 | 144.1 Ų | 144.1 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | | | trans | -9.6 | 104.2 | 146.5 | -146 | -89.2 | 0 | 0 | 0 | 115.3 | | |
| 43 | G | 36.5 | Very low | 43.5 | Very low | 71 Ų | 71 | 146.4 Ų | 146.4 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | | | trans | -91.5 | 116.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | A41 | A41-G43 PolarHBondContact O-N 3.08Š|
| 44 | T | 37.3 | Very low | 42.8 | Very low | 100 Ų | 100 | 145.3 Ų | 145.3 | 61% | 0.613 | 79% | 0.787 | S | S | * | * | | | trans | -151.5 | 119.5 | 153.9 | 40.5 | 0 | 0 | 0 | 0 | 109 | | |
| 45 | P | 45.8 | Very low | 42 | Very low | 141 Ų | 141 | 144.4 Ų | 144.4 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | | | trans | -89.3 | 128.2 | 172.2 | 32.1 | -30.3 | 0 | 0 | 0 | 111.4 | | |
| 46 | E | 46.9 | Very low | 41.8 | Very low | 172 Ų | 172 | 143.5 Ų | 143.5 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | -113.8 | 114.1 | 178.6 | 51.3 | -157.5 | 113.6 | 0 | 0 | 110.6 | | |
| 47 | K | 48.8 | Very low | 42.2 | Very low | 213 Ų | 213 | 147.7 Ų | 147.7 | 93% | 0.926 | 79% | 0.793 | S | S | * | * | | | trans | -178.3 | 130.7 | 141.2 | -122.4 | 174.1 | 173.4 | 174.3 | 0 | 113.4 | | |
| 48 | E | 42.8 | Very low | 42.3 | Very low | 181 Ų | 181 | 144.5 Ų | 144.5 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | | | trans | -74.6 | 161.5 | 169.5 | -62.5 | -155.3 | 151.6 | 0 | 0 | 114.3 | | |
| 49 | T | 40.6 | Very low | 42.7 | Very low | 121 Ų | 121 | 145.6 Ų | 145.6 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | | | | 129.7 | 118.7 | 129.5 | -134.1 | 0 | 0 | 0 | 0 | 115.1 | | |
| 50 | K | 41.8 | Very low | 43.4 | Very low | 170 Ų | 170 | 147.7 Ų | 147.7 | 74% | 0.739 | 80% | 0.804 | S | S | * | * | | | | 160.3 | 114 | 123.8 | -81.9 | -159.4 | -179.2 | 176.7 | 0 | 113.2 | | |
| 51 | R | 44.4 | Very low | 44.3 | Very low | 220 Ų | 220 | 147.7 Ų | 147.7 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | | | trans | 59.1 | 123.9 | 131.4 | -52.7 | -94.6 | 166.2 | 85.3 | -0.7 | 119.2 | | |
| 52 | S | 36.2 | Very low | 45.4 | Very low | 130 Ų | 130 | 146.3 Ų | 146.3 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | | | | -178.5 | 152.7 | 109.1 | 45.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 53 | D | 44.4 | Very low | 46.9 | Very low | 132 Ų | 132 | 141.5 Ų | 141.5 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | | | trans | -98.9 | 156.8 | -160.9 | -163.5 | -16.5 | 0 | 0 | 0 | 110.1 | | |
| 54 | K | 49.9 | Very low | 48.3 | Very low | 174 Ų | 174 | 148.1 Ų | 148.1 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | | | trans | 75.8 | 116.2 | 164.5 | -44.7 | 166.7 | -165.2 | -170.8 | 0 | 115.7 | | |
| 55 | L | 43.1 | Very low | 49.6 | Very low | 173 Ų | 173 | 150.7 Ų | 150.7 | 91% | 0.906 | 77% | 0.774 | S | S | * | * | | | | -171 | 116.4 | 126.1 | -95.6 | 174 | 0 | 0 | 0 | 111 | | |
| 56 | S | 40.7 | Very low | 50.9 | Low | 103 Ų | 103 | 149.9 Ų | 149.9 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | | | trans | 68.1 | 121 | 139.3 | -150.5 | 0 | 0 | 0 | 0 | 120.1 | S58 | S56-S58 PolarHBondContact O-N 3.32Š|
| 57 | R | 51.7 | Low | 52.1 | Low | 253 Ų | 253 | 147.5 Ų | 147.5 | 96% | 0.955 | 75% | 0.747 | S | S | * | * | | | trans | -47.3 | 100.5 | 154.2 | -83.7 | 171.1 | -92.4 | 152.6 | -5.6 | 109.4 | | |
| 58 | S | 48.8 | Very low | 53.2 | Low | 87 Ų | 87 | 140.9 Ų | 140.9 | 61% | 0.608 | 72% | 0.724 | S | S | * | * | | | trans | -113.9 | 115.1 | 163.5 | -169.9 | 0 | 0 | 0 | 0 | 107.1 | S56 | S56-S58 PolarHBondContact O-N 3.32Š|
| 59 | L | 48.7 | Very low | 54.6 | Low | 157 Ų | 157 | 133.9 Ų | 133.9 | 82% | 0.822 | 70% | 0.701 | S | S | * | * | | | trans | 6 | 118.8 | 158.5 | -69.3 | 157.8 | 0 | 0 | 0 | 114.5 | T61 | L59-T61 VanDerWaalsContact C-N 3.28Å; L59-T61 WeakPolarHBondContact O-CG2 3.33Å; L59-T61 PolarHBondContact O-N 3.25Å |
| 60 | A | 54.3 | Low | 56.2 | Low | 109 Ų | 109 | 134.6 Ų | 134.6 | 90% | 0.901 | 70% | 0.699 | S | S | * | * | | | trans | -18.2 | 86.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S62 | A60-S62 PolarHBondContact O-N 2.98Š|
| 61 | T | 53.6 | Low | 57.7 | Low | 117 Ų | 117 | 132.9 Ų | 132.9 | 72% | 0.718 | 70% | 0.698 | S | S | * | * | | | trans | -75.4 | 84.8 | 171.3 | 46.5 | 0 | 0 | 0 | 0 | 102.8 | L59 N63 | L59-T61 VanDerWaalsContact C-N 3.28Å; L59-T61 WeakPolarHBondContact O-CG2 3.33Å; L59-T61 PolarHBondContact O-N 3.25Å; T61-N63 WeakPolarHBondContact O-CA 3.32Å; T61-N63 PolarHBondContact O-N 3.01Å |
| 62 | S | 60 | Low | 59 | Low | 68 Ų | 68 | 125.9 Ų | 125.9 | 48% | 0.476 | 68% | 0.676 | S | S | . | * | | | trans | -45.3 | 106.7 | 163.2 | 165.9 | 0 | 0 | 0 | 0 | 104.5 | A60 R64 | A60-S62 PolarHBondContact O-N 2.98Å; S62-R64 PolarHBondContact O-N 3.39Å |
| 63 | N | 68.6 | Low | 60.6 | Low | 80 Ų | 80 | 125.2 Ų | 125.2 | 43% | 0.428 | 67% | 0.667 | S | S | . | * | | | trans | -53.4 | 123.3 | -168 | 173.3 | -31.9 | 0 | 0 | 0 | 105.2 | T61 M65 Q66 Q67 | T61-N63 WeakPolarHBondContact O-CA 3.32Å; T61-N63 PolarHBondContact O-N 3.01Å; N63-M65 CarbonylContact O-C 3.54Å; N63-M65 PolarHBondContact O-N 3.46Å; N63-M65 VanDerWaalsContact OD1-CB 3.22Å; N63-M65 WeakPolarHBondContact OD1-CB 3.41Å; N63-M65 PolarHBondContact OD1-N 3.37Å; N63-Q66 HydrophobicContact CB-CB 4.09Å; N63-Q66 HydrophobicContact CB-CG 3.81Å; N63-Q66 WeakPolarHBondContact O-CA 3.17Å; N63-Q66 WeakPolarHBondContact O-CB 3.34Å; N63-Q66 PolarHBondContact O-N 3.44Å; N63-Q67 PolarHBondContact O-N 3.26Å |
| 64 | R | 65.2 | Low | 61.6 | Low | 210 Ų | 210 | 121.5 Ų | 121.5 | 79% | 0.792 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -48.6 | -33.9 | -175.3 | -171.1 | -178.5 | -137.3 | -127.4 | 2.8 | 110.9 | S62 Q67 V68 | S62-R64 PolarHBondContact O-N 3.39Å; R64-Q67 PolarHBondContact O-N 2.87Å; R64-V68 WeakPolarHBondContact O-CG2 3.46Å; R64-V68 PolarHBondContact O-N 3.46Å |
| 65 | M | 65.4 | Low | 62.3 | Low | 153 Ų | 153 | 117.4 Ų | 117.4 | 75% | 0.754 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -69.6 | -36.5 | 174.8 | -55 | -155 | 72.2 | 0 | 0 | 114 | N63 V68 G69 | N63-M65 CarbonylContact O-C 3.54Å; N63-M65 PolarHBondContact O-N 3.46Å; N63-M65 VanDerWaalsContact OD1-CB 3.22Å; N63-M65 WeakPolarHBondContact OD1-CB 3.41Å; N63-M65 PolarHBondContact OD1-N 3.37Å; M65-V68 PolarHBondContact O-N 3.03Å; M65-G69 PolarHBondContact O-N 3.47Å |
| 66 | Q | 72.6 | Confident | 63.3 | Low | 125 Ų | 125 | 114.7 Ų | 114.7 | 58% | 0.584 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65.7 | -40.4 | 172.5 | -70.9 | 178.8 | -7.9 | 0 | 0 | 111.6 | N63 G69 L70 | N63-Q66 HydrophobicContact CB-CB 4.09Å; N63-Q66 HydrophobicContact CB-CG 3.81Å; N63-Q66 WeakPolarHBondContact O-CA 3.17Å; N63-Q66 WeakPolarHBondContact O-CB 3.34Å; N63-Q66 PolarHBondContact O-N 3.44Å; Q66-G69 PolarHBondContact O-N 3.02Å; Q66-L70 PolarHBondContact O-N 3.03Å |
| 67 | Q | 71.9 | Confident | 64.6 | Low | 122 Ų | 122 | 114.5 Ų | 114.5 | 57% | 0.57 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.6 | -40 | 176 | -172.6 | 180 | -1.3 | 0 | 0 | 111.8 | N63 R64 L70 L71 | N63-Q67 PolarHBondContact O-N 3.26Å; R64-Q67 PolarHBondContact O-N 2.87Å; Q67-L70 PolarHBondContact O-N 2.92Å; Q67-L71 WeakPolarHBondContact O-CB 3.47Å; Q67-L71 PolarHBondContact O-N 2.82Å; Q67-L71 VanDerWaalsContact O-N 3.08Å |
| 68 | V | 72.6 | Confident | 65.4 | Low | 73 Ų | 73 | 110.6 Ų | 110.6 | 44% | 0.442 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.3 | -40.9 | 173.3 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | R64 M65 L70 L71 L72 | R64-V68 WeakPolarHBondContact O-CG2 3.46Å; R64-V68 PolarHBondContact O-N 3.46Å; M65-V68 PolarHBondContact O-N 3.03Å; V68-L70 PolarHBondContact O-N 2.74Å; V68-L71 PolarHBondContact O-N 2.68Å; V68-L72 HydrophobicContact CG1-CD1 4.05Å; V68-L72 HydrophobicContact CG1-CD2 4.1Å; V68-L72 WeakPolarHBondContact O-CB 3.42Å; V68-L72 VanDerWaalsContact O-CD1 3.32Å; V68-L72 WeakPolarHBondContact O-CD1 3.4Å; V68-L72 PolarHBondContact O-N 2.91Å |
| 69 | G | 72.2 | Confident | 66.3 | Low | 35 Ų | 35 | 113 Ų | 113 | 36% | 0.361 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -60.7 | -42.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | M65 Q66 L72 T73 | M65-G69 PolarHBondContact O-N 3.47Å; Q66-G69 PolarHBondContact O-N 3.02Å; G69-L72 PolarHBondContact O-N 2.7Å; G69-T73 WeakPolarHBondContact O-CB 3.22Å; G69-T73 PolarHBondContact O-N 2.87Å; G69-T73 PolarHBondContact O-OG1 2.74Å |
| 70 | L | 73.2 | Confident | 67.4 | Low | 135 Ų | 135 | 109 Ų | 109 | 71% | 0.707 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.9 | -39.8 | 174.9 | -79.8 | 155.3 | 0 | 0 | 0 | 112.3 | Q66 Q67 V68 | Q66-L70 PolarHBondContact O-N 3.03Å; Q67-L70 PolarHBondContact O-N 2.92Å; V68-L70 PolarHBondContact O-N 2.74Å |
| 71 | L | 75.1 | Confident | 68.4 | Low | 135 Ų | 135 | 110.8 Ų | 110.8 | 71% | 0.707 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -70.1 | -30.6 | 178.6 | -174.5 | 63.4 | 0 | 0 | 0 | 112.9 | Q67 V68 | Q67-L71 WeakPolarHBondContact O-CB 3.47Å; Q67-L71 PolarHBondContact O-N 2.82Å; Q67-L71 VanDerWaalsContact O-N 3.08Å; V68-L71 PolarHBondContact O-N 2.68Å |
| 72 | L | 71 | Confident | 69.5 | Low | 73 Ų | 73 | 112.9 Ų | 112.9 | 38% | 0.382 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -96.1 | -12.2 | -175.4 | -86.3 | 61.5 | 0 | 0 | 0 | 114 | V68 G69 G74 T75 L76 | V68-L72 HydrophobicContact CG1-CD1 4.05Å; V68-L72 HydrophobicContact CG1-CD2 4.1Å; V68-L72 WeakPolarHBondContact O-CB 3.42Å; V68-L72 VanDerWaalsContact O-CD1 3.32Å; V68-L72 WeakPolarHBondContact O-CD1 3.4Å; V68-L72 PolarHBondContact O-N 2.91Å; G69-L72 PolarHBondContact O-N 2.7Å; L72-G74 PolarHBondContact O-N 2.79Å; L72-G74 VanDerWaalsContact O-N 3.13Å; L72-T75 PolarHBondContact O-N 2.68Å; L72-T75 PolarHBondContact O-OG1 3.3Å; L72-L76 PolarHBondContact O-N 3.15Å |
| 73 | T | 68.9 | Low | 70.1 | Confident | 115 Ų | 115 | 117.1 Ų | 117.1 | 71% | 0.706 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -26.2 | -173.3 | -88.1 | 0 | 0 | 0 | 0 | 114.6 | G69 | G69-T73 WeakPolarHBondContact O-CB 3.22Å; G69-T73 PolarHBondContact O-N 2.87Å; G69-T73 PolarHBondContact O-OG1 2.74Å |
| 74 | G | 66.6 | Low | 70.6 | Confident | 54 Ų | 54 | 117 Ų | 117 | 56% | 0.557 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | -17 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L72 | L72-G74 PolarHBondContact O-N 2.79Å; L72-G74 VanDerWaalsContact O-N 3.13Å |
| 75 | T | 64 | Low | 71.1 | Confident | 89 Ų | 89 | 116.4 Ų | 116.4 | 55% | 0.546 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.3 | -27.6 | -174.9 | 53.4 | 0 | 0 | 0 | 0 | 112.5 | L72 D77 K78 | L72-T75 PolarHBondContact O-N 2.68Å; L72-T75 PolarHBondContact O-OG1 3.3Å; T75-D77 VanDerWaalsContact C-N 3.32Å; T75-D77 PolarHBondContact O-N 3.15Å; T75-K78 PolarHBondContact O-N 2.93Å |
| 76 | L | 64.6 | Low | 71.7 | Confident | 115 Ų | 115 | 114.3 Ų | 114.3 | 60% | 0.602 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -67.1 | -33.3 | 178.8 | -124.8 | 84.8 | 0 | 0 | 0 | 112.6 | L72 K78 L79 S80 | L72-L76 PolarHBondContact O-N 3.15Å; L76-K78 PolarHBondContact O-N 2.96Å; L76-L79 CarbonylContact O-C 3.53Å; L76-L79 PolarHBondContact O-N 3.47Å; L76-S80 PolarHBondContact O-N 3.17Å |
| 77 | D | 68.4 | Low | 71.8 | Confident | 100 Ų | 100 | 113.7 Ų | 113.7 | 54% | 0.535 | 63% | 0.626 | S | S | . | * | G | 310 helix | trans | -64.5 | -22.5 | 178.8 | -178 | 69.5 | 0 | 0 | 0 | 113.4 | T75 S80 | T75-D77 VanDerWaalsContact C-N 3.32Å; T75-D77 PolarHBondContact O-N 3.15Å; D77-S80 PolarHBondContact O-OG 3.1Å |
| 78 | K | 66.9 | Low | 71.6 | Confident | 170 Ų | 170 | 113.3 Ų | 113.3 | 74% | 0.739 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -92.8 | -6.9 | 174.5 | -57.8 | -55.2 | 173.4 | -136.5 | 0 | 113.3 | T75 L76 | T75-K78 PolarHBondContact O-N 2.93Å; L76-K78 PolarHBondContact O-N 2.96Å |
| 79 | L | 68.1 | Low | 71.4 | Confident | 139 Ų | 139 | 114.4 Ų | 114.4 | 73% | 0.728 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106 | -9.1 | 175.3 | -144.5 | 73.3 | 0 | 0 | 0 | 112.1 | L76 H81 | L76-L79 CarbonylContact O-C 3.53Å; L76-L79 PolarHBondContact O-N 3.47Å; L79-H81 PolarHBondContact O-N 3.08Å |
| 80 | S | 73.1 | Confident | 71.2 | Confident | 71 Ų | 71 | 117.2 Ų | 117.2 | 50% | 0.497 | 65% | 0.652 | S | S | . | * | | | trans | -69.4 | 114.7 | 169.2 | 47.8 | 0 | 0 | 0 | 0 | 108.7 | L76 D77 D82 | L76-S80 PolarHBondContact O-N 3.17Å; D77-S80 PolarHBondContact O-OG 3.1Å; S80-D82 PolarHBondContact O-N 2.86Å |
| 81 | H | 75.2 | Confident | 71.2 | Confident | 148 Ų | 148 | 121.4 Ų | 121.4 | 69% | 0.685 | 66% | 0.658 | S | S | * | * | | | trans | -76.5 | 111.2 | 165.8 | -69.5 | -66.4 | 0 | 0 | 0 | 107.8 | L79 F83 | L79-H81 PolarHBondContact O-N 3.08Å; H81-F83 HydrophobicContact CB-CD2 3.63Å; H81-F83 HydrophobicContact CB-CE2 3.2Å; H81-F83 HydrophobicContact CB-CG 4.46Å; H81-F83 HydrophobicContact CB-CZ 3.69Å; H81-F83 AromaticContact CG-CE2 3.91Å; H81-F83 PolarHBondContact O-N 3.46Å |
| 82 | D | 76.3 | Confident | 71.2 | Confident | 161 Ų | 161 | 122.4 Ų | 122.4 | 86% | 0.861 | 66% | 0.659 | S | S | * | * | | | trans | -77.5 | 79.3 | 172.5 | -151.2 | 3.6 | 0 | 0 | 0 | 108.1 | S80 | S80-D82 PolarHBondContact O-N 2.86Š|
| 83 | F | 72.8 | Confident | 71.4 | Confident | 157 Ų | 157 | 123.5 Ų | 123.5 | 69% | 0.689 | 67% | 0.673 | S | S | * | * | | | trans | -74.2 | 125 | 171.6 | -68.3 | -72.9 | 0 | 0 | 0 | 107.2 | H81 E85 | H81-F83 HydrophobicContact CB-CD2 3.63Å; H81-F83 HydrophobicContact CB-CE2 3.2Å; H81-F83 HydrophobicContact CB-CG 4.46Å; H81-F83 HydrophobicContact CB-CZ 3.69Å; H81-F83 AromaticContact CG-CE2 3.91Å; H81-F83 PolarHBondContact O-N 3.46Å; F83-E85 PolarHBondContact O-N 2.76Å; F83-E85 VanDerWaalsContact O-N 3.1Å |
| 84 | P | 79.6 | Confident | 71.8 | Confident | 78 Ų | 78 | 127.4 Ų | 127.4 | 51% | 0.506 | 68% | 0.68 | S | S | . | * | | | trans | -55.9 | 124.3 | 176.5 | 23.2 | -32.2 | 0 | 0 | 0 | 108.9 | T86 V88 | P84-T86 CarbonylContact O-C 3.55Å; P84-T86 PolarHBondContact O-N 2.93Å; P84-T86 VanDerWaalsContact O-N 3.15Å; P84-V88 HydrophobicContact CG-CG2 4.09Å |
| 85 | E | 75.4 | Confident | 72.3 | Confident | 196 Ų | 196 | 131.3 Ų | 131.3 | 92% | 0.916 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -57 | -29.9 | -179.8 | -174.5 | 177.9 | -177.2 | 0 | 0 | 111.4 | F83 | F83-E85 PolarHBondContact O-N 2.76Å; F83-E85 VanDerWaalsContact O-N 3.1Å |
| 86 | T | 76.6 | Confident | 72.9 | Confident | 109 Ų | 109 | 136 Ų | 136 | 67% | 0.669 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -89.2 | 119.8 | 170.3 | 46.3 | 0 | 0 | 0 | 0 | 109.7 | P84 V88 | P84-T86 CarbonylContact O-C 3.55Å; P84-T86 PolarHBondContact O-N 2.93Å; P84-T86 VanDerWaalsContact O-N 3.15Å; T86-V88 PolarHBondContact O-N 3.31Å; T86-V88 VanDerWaalsContact O-N 3.15Å |
| 87 | P | 75.4 | Confident | 73.9 | Confident | 113 Ų | 113 | 135.1 Ų | 135.1 | 73% | 0.734 | 70% | 0.701 | S | S | * | * | | | trans | -56.7 | 127.8 | 173.5 | 21.8 | -30.3 | 0 | 0 | 0 | 108.2 | S89 | P87-S89 PolarHBondContact O-N 2.85Š|
| 88 | V | 68.1 | Low | 74.5 | Confident | 113 Ų | 113 | 135.5 Ų | 135.5 | 69% | 0.685 | 72% | 0.719 | S | S | * | * | | | trans | -64.8 | 83.6 | 170.1 | -176.6 | 0 | 0 | 0 | 0 | 106.3 | P84 T86 V90 | P84-V88 HydrophobicContact CG-CG2 4.09Å; T86-V88 PolarHBondContact O-N 3.31Å; T86-V88 VanDerWaalsContact O-N 3.15Å; V88-V90 HydrophobicContact CG1-CG2 3.79Å; V88-V90 PolarHBondContact O-N 3.34Å |
| 89 | S | 69.1 | Low | 75.1 | Confident | 96 Ų | 96 | 132.1 Ų | 132.1 | 67% | 0.671 | 71% | 0.712 | S | S | * | * | | | trans | -69.8 | 88.6 | 169.2 | 74.8 | 0 | 0 | 0 | 0 | 104.8 | P87 R91 | P87-S89 PolarHBondContact O-N 2.85Å; S89-R91 PolarHBondContact O-N 3.49Å |
| 90 | V | 67.4 | Low | 75.5 | Confident | 94 Ų | 94 | 133.3 Ų | 133.3 | 57% | 0.57 | 71% | 0.714 | S | S | * | * | | | trans | -65.8 | 82.2 | 159.6 | -170.9 | 0 | 0 | 0 | 0 | 103.7 | V88 H92 | V88-V90 HydrophobicContact CG1-CG2 3.79Å; V88-V90 PolarHBondContact O-N 3.34Å; V90-H92 VanDerWaalsContact CG1-CD2 3.42Å; V90-H92 WeakPolarHBondContact CG1-CD2 3.44Å; V90-H92 WeakPolarHBondContact CG1-NE2 3.19Å; V90-H92 PolarHBondContact O-N 2.97Å |
| 91 | R | 73.6 | Confident | 75.7 | Confident | 224 Ų | 224 | 140.4 Ų | 140.4 | 85% | 0.845 | 73% | 0.73 | S | S | * | * | | | trans | -66 | 89.2 | 171.8 | -176.9 | -170.3 | -73.2 | -173.2 | -2.1 | 104.2 | S89 S93 | S89-R91 PolarHBondContact O-N 3.49Å; R91-S93 VanDerWaalsContact C-N 3.33Å; R91-S93 PolarHBondContact O-N 3.14Å |
| 92 | H | 73.6 | Confident | 75.9 | Confident | 156 Ų | 156 | 138.7 Ų | 138.7 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | | | trans | -56.7 | 106.3 | 168.1 | -55.8 | 132.7 | 0 | 0 | 0 | 105.2 | V90 K94 | V90-H92 VanDerWaalsContact CG1-CD2 3.42Å; V90-H92 WeakPolarHBondContact CG1-CD2 3.44Å; V90-H92 WeakPolarHBondContact CG1-NE2 3.19Å; V90-H92 PolarHBondContact O-N 2.97Å; H92-K94 PolarHBondContact O-N 3.07Å |
| 93 | S | 75 | Confident | 76 | Confident | 95 Ų | 95 | 139.4 Ų | 139.4 | 66% | 0.664 | 73% | 0.732 | S | S | * | * | | | trans | -55.4 | 141.3 | 170.4 | 53.1 | 0 | 0 | 0 | 0 | 106.9 | R91 V95 | R91-S93 VanDerWaalsContact C-N 3.33Å; R91-S93 PolarHBondContact O-N 3.14Å; S93-V95 PolarHBondContact O-N 3.32Å |
| 94 | K | 78.2 | Confident | 76.2 | Confident | 198 Ų | 198 | 136.7 Ų | 136.7 | 86% | 0.861 | 73% | 0.732 | S | S | * | * | | | trans | -56.6 | 109.7 | 178.1 | -70.1 | -177.4 | -179.5 | 170.3 | 0 | 107.4 | H92 R96 | H92-K94 PolarHBondContact O-N 3.07Å; K94-R96 PolarHBondContact O-N 3.01Å; K94-R96 VanDerWaalsContact O-N 3.08Å |
| 95 | V | 76.9 | Confident | 76.2 | Confident | 136 Ų | 136 | 138.2 Ų | 138.2 | 82% | 0.824 | 74% | 0.741 | S | S | * | * | | | trans | -61.6 | 116 | 179.5 | 179.4 | 0 | 0 | 0 | 0 | 107 | S93 | S93-V95 PolarHBondContact O-N 3.32Š|
| 96 | R | 77.8 | Confident | 76.4 | Confident | 188 Ų | 188 | 137.6 Ų | 137.6 | 71% | 0.709 | 73% | 0.731 | S | S | * | * | | | trans | -83 | 134.5 | 172.8 | -69.2 | -70 | -68.5 | 148.7 | 0.7 | 107.8 | K94 A98 | K94-R96 PolarHBondContact O-N 3.01Å; K94-R96 VanDerWaalsContact O-N 3.08Å; R96-A98 PolarHBondContact O-N 3.27Å |
| 97 | P | 84.1 | Confident | 76.6 | Confident | 95 Ų | 95 | 138.5 Ų | 138.5 | 62% | 0.617 | 74% | 0.736 | S | S | * | * | | | trans | -53.1 | 131 | 173.6 | -24.7 | 33.6 | 0 | 0 | 0 | 110.2 | V99 | P97-V99 PolarHBondContact O-N 3.29Å; P97-V99 VanDerWaalsContact O-N 3.17Å |
| 98 | A | 80.7 | Confident | 76.8 | Confident | 109 Ų | 109 | 140.3 Ų | 140.3 | 90% | 0.901 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -64.2 | -19.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113 | R96 | R96-A98 PolarHBondContact O-N 3.27Š|
| 99 | V | 80.6 | Confident | 77.4 | Confident | 98 Ų | 98 | 140.5 Ų | 140.5 | 59% | 0.594 | 74% | 0.738 | S | S | * | * | | | trans | -140.1 | 120.1 | 177.9 | -176.1 | 0 | 0 | 0 | 0 | 108.8 | P97 R101 | P97-V99 PolarHBondContact O-N 3.29Å; P97-V99 VanDerWaalsContact O-N 3.17Å; V99-R101 HydrophobicContact CG1-CG 4.36Å |
| 100 | E | 75.7 | Confident | 78.1 | Confident | 164 Ų | 164 | 142.1 Ų | 142.1 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | | | trans | -86.3 | 108.2 | 165.2 | -170.3 | 162.6 | -178.3 | 0 | 0 | 107.2 | S102 | E100-S102 PolarHBondContact O-N 3.01Š|
| 101 | R | 78.3 | Confident | 79.1 | Confident | 221 Ų | 221 | 146.7 Ų | 146.7 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | | | trans | -78.6 | 120.9 | 176.6 | -69.6 | -83.4 | -179.3 | 132.7 | -1.7 | 107.6 | V99 H103 | V99-R101 HydrophobicContact CG1-CG 4.36Å; R101-H103 PolarHBondContact O-N 3.07Å |
| 102 | S | 78.2 | Confident | 79.8 | Confident | 112 Ų | 112 | 142.8 Ų | 142.8 | 78% | 0.783 | 74% | 0.744 | S | S | * | * | | | trans | -53.3 | 130 | 170.3 | -43.3 | 0 | 0 | 0 | 0 | 109.3 | E100 C104 | E100-S102 PolarHBondContact O-N 3.01Å; S102-C104 PolarHBondContact O-N 2.8Å |
| 103 | H | 78.3 | Confident | 80.5 | Confident | 176 Ų | 176 | 141.2 Ų | 141.2 | 82% | 0.815 | 75% | 0.748 | S | S | * | * | | | trans | -61.7 | 104.7 | 176.1 | -177.3 | 81.4 | 0 | 0 | 0 | 108.9 | R101 | R101-H103 PolarHBondContact O-N 3.07Š|
| 104 | C | 78 | Confident | 80.9 | Confident | 100 Ų | 100 | 147.6 Ų | 147.6 | 68% | 0.676 | 76% | 0.757 | S | S | * | * | | | trans | -92.3 | 119.2 | 171.3 | 63.9 | 0 | 0 | 0 | 0 | 108.6 | S102 R106 | S102-C104 PolarHBondContact O-N 2.8Å; C104-R106 PolarHBondContact O-N 3.01Å |
| 105 | P | 79.4 | Confident | 81.1 | Confident | 110 Ų | 110 | 148.4 Ų | 148.4 | 71% | 0.714 | 76% | 0.761 | S | S | * | * | | | trans | -64 | 109 | 172.9 | 23.5 | -29.4 | 0 | 0 | 0 | 108.1 | T107 | P105-T107 PolarHBondContact O-N 3.25Š|
| 106 | R | 79.9 | Confident | 80.7 | Confident | 182 Ų | 182 | 156.8 Ų | 156.8 | 69% | 0.687 | 78% | 0.778 | S | S | * | * | | | trans | -79 | 112.2 | 177 | -164.6 | 170.3 | -167.5 | -93.5 | 2.9 | 107.9 | C104 F108 | C104-R106 PolarHBondContact O-N 3.01Å; R106-F108 HydrophobicContact CB-CE2 4.06Å; R106-F108 HydrophobicContact CB-CZ 4.12Å; R106-F108 HydrophobicContact CG-CE1 4.38Å; R106-F108 HydrophobicContact CG-CE2 4.5Å; R106-F108 HydrophobicContact CG-CZ 4.22Å; R106-F108 VanDerWaalsContact NH1-CE1 3.29Å; R106-F108 WeakPolarHBondContact O-CD2 3.34Å; R106-F108 WeakPolarHBondContact O-CE2 3.49Å; R106-F108 PolarHBondContact O-N 3.34Å; R106-F108 VanDerWaalsContact O-N 3.14Å |
| 107 | T | 80.1 | Confident | 80.8 | Confident | 129 Ų | 129 | 155.2 Ų | 155.2 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | -69.5 | 108.2 | 170.3 | 39.1 | 0 | 0 | 0 | 0 | 109 | P105 C109 | P105-T107 PolarHBondContact O-N 3.25Å; T107-C109 PolarHBondContact O-N 3.12Å |
| 108 | F | 80.5 | Confident | 80.6 | Confident | 151 Ų | 151 | 158.4 Ų | 158.4 | 66% | 0.662 | 79% | 0.79 | S | S | * | * | | | trans | -85 | 109 | 171 | -62.4 | -84.4 | 0 | 0 | 0 | 108.5 | R106 I110 | R106-F108 HydrophobicContact CB-CE2 4.06Å; R106-F108 HydrophobicContact CB-CZ 4.12Å; R106-F108 HydrophobicContact CG-CE1 4.38Å; R106-F108 HydrophobicContact CG-CE2 4.5Å; R106-F108 HydrophobicContact CG-CZ 4.22Å; R106-F108 VanDerWaalsContact NH1-CE1 3.29Å; R106-F108 WeakPolarHBondContact O-CD2 3.34Å; R106-F108 WeakPolarHBondContact O-CE2 3.49Å; R106-F108 PolarHBondContact O-N 3.34Å; R106-F108 VanDerWaalsContact O-N 3.14Å; F108-I110 PolarHBondContact O-N 2.84Å |
| 109 | C | 80.4 | Confident | 80.6 | Confident | 117 Ų | 117 | 161.1 Ų | 161.1 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | | | trans | -74.1 | 92.5 | 170.5 | -65.5 | 0 | 0 | 0 | 0 | 108.7 | T107 Q111 | T107-C109 PolarHBondContact O-N 3.12Å; C109-Q111 PolarHBondContact O-N 3.43Å |
| 110 | I | 83.8 | Confident | 80.6 | Confident | 130 Ų | 130 | 164.8 Ų | 164.8 | 67% | 0.667 | 80% | 0.795 | S | S | * | * | | | trans | -73.8 | 116.6 | 174.9 | -48 | 179.3 | 0 | 0 | 0 | 107.8 | F108 Q112 | F108-I110 PolarHBondContact O-N 2.84Å; I110-Q112 VanDerWaalsContact C-N 3.32Å; I110-Q112 HydrophobicContact CG2-CG 3.72Å; I110-Q112 PolarHBondContact O-N 3.22Å |
| 111 | Q | 88 | Confident | 80.9 | Confident | 189 Ų | 189 | 164.9 Ų | 164.9 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | | | trans | -77.3 | 83.8 | 173.9 | -66.7 | 174.5 | 77.3 | 0 | 0 | 108.9 | C109 | C109-Q111 PolarHBondContact O-N 3.43Š|
| 112 | Q | 88.3 | Confident | 81.1 | Confident | 143 Ų | 143 | 161.1 Ų | 161.1 | 67% | 0.668 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 139.8 | 170.6 | -69.3 | -73.2 | -52.7 | 0 | 0 | 109.7 | I110 R114 | I110-Q112 VanDerWaalsContact C-N 3.32Å; I110-Q112 HydrophobicContact CG2-CG 3.72Å; I110-Q112 PolarHBondContact O-N 3.22Å; Q112-R114 PolarHBondContact O-N 3.33Å |
| 113 | P | 88.3 | Confident | 81.3 | Confident | 122 Ų | 122 | 164.6 Ų | 164.6 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 124.4 | 171.6 | -17.7 | 29.3 | 0 | 0 | 0 | 109.7 | | |
| 114 | R | 83.9 | Confident | 81.6 | Confident | 230 Ų | 230 | 163.8 Ų | 163.8 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 134 | 173.3 | -64.2 | -176.2 | -174.3 | -121.5 | 1.3 | 108.5 | Q112 W116 | Q112-R114 PolarHBondContact O-N 3.33Å; R114-W116 PolarHBondContact O-N 3.21Å |
| 115 | K | 82.1 | Confident | 81.9 | Confident | 214 Ų | 214 | 169.1 Ų | 169.1 | 93% | 0.93 | 80% | 0.803 | S | S | * | * | | | trans | -73.8 | 115.1 | 166.6 | -62.4 | -170.1 | 175.9 | -168.8 | 0 | 107 | | |
| 116 | W | 67.8 | Low | 82.1 | Confident | 312 Ų | 312 | 174.5 Ų | 174.5 | 100% | 1.182 | 81% | 0.811 | S | S | * | * | | | trans | -97.1 | 0 | 159.6 | 50.4 | -88.1 | 0 | 0 | 0 | 107.6 | R114 | R114-W116 PolarHBondContact O-N 3.21Š|