| 1 | M | 48.3 | Very low | 51.7 | Low | 239 Ų | 239 | 160.9 Ų | 160.9 | 100% | 1.177 | 81% | 0.807 | S | S | * | * | | | | 0 | 134.8 | 0 | -79.8 | -61.4 | -166.6 | 0 | 0 | 107.5 | | |
| 2 | A | 53 | Low | 51.4 | Low | 103 Ų | 103 | 159.8 Ų | 159.8 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | | | trans | 43.9 | 104.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 3 | E | 55 | Low | 51.3 | Low | 145 Ų | 145 | 159.2 Ų | 159.2 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | | | trans | -69.5 | -177.2 | 141.2 | -121.4 | -150.1 | 135.1 | 0 | 0 | 109 | R5 | E3-R5 WeakPolarHBondContact OE1-CG 3.31Å; E3-R5 IonicContact OE1-CZ 2.63Å; E3-R5 IonicContact OE1-NE 3.74Å; E3-R5 PolarHBondContact OE1-NE 3.17Å |
| 4 | P | 55.8 | Low | 50.8 | Low | 100 Ų | 100 | 158.6 Ų | 158.6 | 65% | 0.649 | 79% | 0.791 | S | S | * | * | | | cis | -134.2 | 173.3 | 0.9 | 26.6 | -1.8 | 0 | 0 | 0 | 116.3 | | |
| 5 | R | 50.4 | Low | 50.7 | Low | 194 Ų | 194 | 155.4 Ų | 155.4 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | | | trans | 28 | 154.4 | 130 | -51.2 | 171.2 | -178 | -128.5 | -3.7 | 120 | E3 | E3-R5 WeakPolarHBondContact OE1-CG 3.31Å; E3-R5 IonicContact OE1-CZ 2.63Å; E3-R5 IonicContact OE1-NE 3.74Å; E3-R5 PolarHBondContact OE1-NE 3.17Å |
| 6 | Q | 52.8 | Low | 50.1 | Low | 172 Ų | 172 | 148.3 Ų | 148.3 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | cis | -153.9 | 162.4 | 29.1 | -145.5 | 148 | 126.4 | 0 | 0 | 111.6 | | |
| 7 | E | 56.3 | Low | 49.6 | Very low | 177 Ų | 177 | 148.2 Ų | 148.2 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | | | trans | -84.4 | 159 | -172.1 | -71 | 154.9 | 165.3 | 0 | 0 | 113.2 | | |
| 8 | F | 44 | Very low | 49.4 | Very low | 170 Ų | 170 | 151.3 Ų | 151.3 | 75% | 0.746 | 78% | 0.784 | S | S | * | * | | | trans | -74.1 | 148.6 | 162 | 58.2 | -83.7 | 0 | 0 | 0 | 109 | | |
| 9 | E | 45.7 | Very low | 48.9 | Very low | 172 Ų | 172 | 147.5 Ų | 147.5 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | | -163.9 | 166.8 | 116.4 | -153.4 | 142.5 | -155.1 | 0 | 0 | 109.6 | | |
| 10 | V | 51 | Low | 49 | Very low | 120 Ų | 120 | 148.8 Ų | 148.8 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | -94.6 | 131.9 | -177.3 | -77.1 | 0 | 0 | 0 | 0 | 111.2 | E12 | V10-E12 PolarHBondContact O-N 3.28Š|
| 11 | M | 56.7 | Low | 48.8 | Very low | 178 Ų | 178 | 144.6 Ų | 144.6 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | | | trans | -88.5 | 91.5 | 174.2 | -146 | 79.2 | 179.3 | 0 | 0 | 109.6 | | |
| 12 | E | 48 | Very low | 48.7 | Very low | 148 Ų | 148 | 141.6 Ų | 141.6 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | | | trans | -68.3 | 124.3 | 155.9 | -83.1 | 165.3 | 95.8 | 0 | 0 | 108.3 | V10 H14 | V10-E12 PolarHBondContact O-N 3.28Å; E12-H14 IonicContact OE1-NE2 2.73Å |
| 13 | D | 49.5 | Very low | 48.6 | Very low | 152 Ų | 152 | 147.9 Ų | 147.9 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | | | trans | -123.6 | 114.3 | 166.4 | -131 | -25.4 | 0 | 0 | 0 | 108.8 | | |
| 14 | H | 44.7 | Very low | 48.2 | Very low | 151 Ų | 151 | 150.5 Ų | 150.5 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | | | trans | -98 | 168.8 | -177.7 | -78.5 | -78 | 0 | 0 | 0 | 111.1 | E12 | E12-H14 IonicContact OE1-NE2 2.73Š|
| 15 | A | 49.5 | Very low | 47.8 | Very low | 110 Ų | 110 | 153 Ų | 153 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | | | trans | 71.8 | 145.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 16 | G | 40.5 | Very low | 47.5 | Very low | 42 Ų | 42 | 153.2 Ų | 153.2 | 43% | 0.433 | 80% | 0.801 | S | S | . | * | | | cis | 140 | 51.2 | 0.3 | 0 | 0 | 0 | 0 | 0 | 113 | Y18 | G16-Y18 WeakPolarHBondContact O-CD2 3.43Å; G16-Y18 PolarHBondContact O-N 2.94Å |
| 17 | T | 42.7 | Very low | 46.9 | Very low | 147 Ų | 147 | 148 Ų | 148 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | | | trans | -94.8 | 85.4 | 177.7 | 45.5 | 0 | 0 | 0 | 0 | 110.4 | G19 | T17-G19 PolarHBondContact O-N 3.3Š|
| 18 | Y | 45.2 | Very low | 46.2 | Very low | 204 Ų | 204 | 142.7 Ų | 142.7 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | | | trans | -69.9 | 88.1 | 178.7 | -58.7 | -82 | 0 | 0 | 0 | 111.3 | G16 L20 | G16-Y18 WeakPolarHBondContact O-CD2 3.43Å; G16-Y18 PolarHBondContact O-N 2.94Å; Y18-L20 PolarHBondContact O-N 3.42Å |
| 19 | G | 40.4 | Very low | 45.9 | Very low | 79 Ų | 79 | 145.2 Ų | 145.2 | 81% | 0.814 | 79% | 0.793 | S | S | * | * | | | trans | -69.4 | 59.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | T17 | T17-G19 PolarHBondContact O-N 3.3Š|
| 20 | L | 49.8 | Very low | 46 | Very low | 172 Ų | 172 | 142.3 Ų | 142.3 | 90% | 0.901 | 79% | 0.787 | S | S | * | * | | | trans | -87.5 | 120.5 | 163.2 | -78.5 | 157.1 | 0 | 0 | 0 | 108.8 | Y18 | Y18-L20 PolarHBondContact O-N 3.42Š|
| 21 | G | 46 | Very low | 45.8 | Very low | 62 Ų | 62 | 144.9 Ų | 144.9 | 64% | 0.639 | 79% | 0.793 | S | S | * | * | | | cis | 171.4 | 132.5 | -10 | 0 | 0 | 0 | 0 | 0 | 110.7 | R23 | G21-R23 PolarHBondContact O-N 3.43Š|
| 22 | D | 45.5 | Very low | 45.6 | Very low | 176 Ų | 176 | 143.3 Ų | 143.3 | 94% | 0.941 | 78% | 0.783 | S | S | * | * | | | trans | -67.4 | 100.3 | 179.7 | -92.9 | -71.7 | 0 | 0 | 0 | 111.9 | | |
| 23 | R | 50.1 | Low | 45.4 | Very low | 234 Ų | 234 | 144.4 Ų | 144.4 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | | | trans | -140.7 | 101 | 162.2 | -145.6 | -179.4 | -61.9 | 179.7 | 3.1 | 110.7 | G21 D25 | G21-R23 PolarHBondContact O-N 3.43Å; R23-D25 PolarHBondContact O-N 3.11Å |
| 24 | K | 47 | Very low | 45.2 | Very low | 200 Ų | 200 | 142.7 Ų | 142.7 | 87% | 0.87 | 78% | 0.779 | S | S | * | * | | | trans | -58.9 | 124.7 | 169.1 | -67.3 | 173.8 | 176.9 | 177 | 0 | 109.8 | | |
| 25 | D | 47.8 | Very low | 45.2 | Very low | 153 Ų | 153 | 143.6 Ų | 143.6 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -150.3 | 110.4 | 137.3 | -159 | 50.1 | 0 | 0 | 0 | 109.2 | R23 | R23-D25 PolarHBondContact O-N 3.11Š|
| 26 | Q | 44.3 | Very low | 44.8 | Very low | 199 Ų | 199 | 147.6 Ų | 147.6 | 93% | 0.93 | 78% | 0.783 | S | S | * | * | | | trans | -101 | 71.2 | 174.8 | -75.6 | -167.9 | 3.4 | 0 | 0 | 109.6 | G28 | Q26-G28 PolarHBondContact O-N 3.02Å; Q26-G28 VanDerWaalsContact O-N 3.09Å |
| 27 | G | 40.7 | Very low | 45 | Very low | 63 Ų | 63 | 149.3 Ų | 149.3 | 65% | 0.649 | 80% | 0.801 | S | S | * | * | | | trans | -74.7 | 86 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 28 | G | 40.2 | Very low | 45.2 | Very low | 65 Ų | 65 | 149.5 Ų | 149.5 | 67% | 0.67 | 80% | 0.797 | S | S | * | * | | | trans | -80.9 | 141.9 | 180 | 0 | 0 | 0 | 0 | 0 | 114 | Q26 | Q26-G28 PolarHBondContact O-N 3.02Å; Q26-G28 VanDerWaalsContact O-N 3.09Å |
| 29 | Y | 38.3 | Very low | 45.5 | Very low | 223 Ų | 223 | 145.4 Ų | 145.4 | 88% | 0.875 | 79% | 0.793 | S | S | * | * | | | trans | -134.9 | 95.5 | 163.9 | -83.3 | -81.1 | 0 | 0 | 0 | 110.6 | | |
| 30 | T | 48.7 | Very low | 45.8 | Very low | 111 Ų | 111 | 149.4 Ų | 149.4 | 68% | 0.681 | 80% | 0.796 | S | S | * | * | | | trans | -80.8 | 130.4 | 165.2 | -59.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 31 | M | 46 | Very low | 45.4 | Very low | 173 Ų | 173 | 145.5 Ų | 145.5 | 85% | 0.852 | 79% | 0.789 | S | S | * | * | | | trans | -119.8 | 126.1 | 164.2 | -73.1 | -65.6 | -67.3 | 0 | 0 | 109 | | |
| 32 | H | 52.3 | Low | 45.1 | Very low | 145 Ų | 145 | 145.8 Ų | 145.8 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | | | trans | -97 | -176.5 | 174.3 | -74 | -88.7 | 0 | 0 | 0 | 110.7 | | |
| 33 | Q | 43.9 | Very low | 45.2 | Very low | 172 Ų | 172 | 144.8 Ų | 144.8 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | 74.3 | 138.4 | 167.1 | -76 | 146.5 | 76.1 | 0 | 0 | 113.9 | | |
| 34 | D | 46.6 | Very low | 45 | Very low | 115 Ų | 115 | 141.2 Ų | 141.2 | 62% | 0.615 | 78% | 0.776 | S | S | * | * | | | cis | -137.4 | 149.6 | 10.1 | -80.4 | -56.9 | 0 | 0 | 0 | 111.1 | | |
| 35 | Q | 44 | Very low | 44.5 | Very low | 170 Ų | 170 | 139 Ų | 139 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | | | | 56.5 | 144 | 90.2 | -43.7 | -175.2 | 91.1 | 0 | 0 | 114.9 | | |
| 36 | E | 41.6 | Very low | 44.4 | Very low | 194 Ų | 194 | 136.9 Ų | 136.9 | 91% | 0.907 | 77% | 0.766 | S | S | * | * | | | cis | -143.8 | 168.3 | 16.9 | -63.5 | 175.5 | -93 | 0 | 0 | 113.1 | | |
| 37 | G | 43.9 | Very low | 44.5 | Very low | 79 Ų | 79 | 132.6 Ų | 132.6 | 81% | 0.814 | 76% | 0.755 | S | S | * | * | | | trans | 94.1 | 154 | 157.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 38 | D | 46.8 | Very low | 44.5 | Very low | 151 Ų | 151 | 136.2 Ų | 136.2 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | | | cis | -163.5 | 171.4 | -16.4 | -162.1 | 5 | 0 | 0 | 0 | 111 | | |
| 39 | T | 52.7 | Low | 44.5 | Very low | 118 Ų | 118 | 141.2 Ų | 141.2 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | | | trans | 66.6 | 90.3 | 165.5 | 54.9 | 0 | 0 | 0 | 0 | 120.7 | | |
| 40 | D | 45 | Very low | 44.4 | Very low | 163 Ų | 163 | 136.3 Ų | 136.3 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | | | | 45.9 | 153.9 | 118.7 | -159.3 | 36.6 | 0 | 0 | 0 | 124.2 | | |
| 41 | A | 42 | Very low | 44.3 | Very low | 90 Ų | 90 | 136 Ų | 136 | 74% | 0.744 | 76% | 0.758 | S | S | * | * | | | trans | 67.2 | 135.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 42 | G | 40.2 | Very low | 44.3 | Very low | 67 Ų | 67 | 133.2 Ų | 133.2 | 69% | 0.691 | 75% | 0.751 | S | S | * | * | | | cis | 148.9 | 136.1 | -8.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 43 | L | 47.6 | Very low | 43.9 | Very low | 156 Ų | 156 | 134.5 Ų | 134.5 | 82% | 0.817 | 76% | 0.757 | S | S | * | * | | | trans | 72.6 | 126.7 | 165.9 | -55.9 | 177.4 | 0 | 0 | 0 | 119.6 | | |
| 44 | K | 45.2 | Very low | 44.1 | Very low | 158 Ų | 158 | 134.1 Ų | 134.1 | 69% | 0.687 | 76% | 0.761 | S | S | * | * | | | trans | 70 | 151 | 138.8 | -67.4 | 168.2 | 157.4 | -94 | 0 | 118 | | |
| 45 | E | 37.7 | Very low | 43.9 | Very low | 153 Ų | 153 | 131.2 Ų | 131.2 | 72% | 0.715 | 76% | 0.758 | S | S | * | * | | | cis | -152.8 | 163.8 | -12.4 | -123.3 | 157.5 | 145.2 | 0 | 0 | 109.3 | | |
| 46 | S | 45.5 | Very low | 44.1 | Very low | 109 Ų | 109 | 128.5 Ų | 128.5 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | | | trans | -76.1 | -164.3 | 167.2 | -43 | 0 | 0 | 0 | 0 | 109.9 | | |
| 47 | P | 45.8 | Very low | 44.3 | Very low | 109 Ų | 109 | 128.2 Ų | 128.2 | 71% | 0.708 | 76% | 0.756 | S | S | * | * | | | cis | -141.1 | -149.7 | 2.1 | 28.6 | 0.2 | 0 | 0 | 0 | 114.6 | | |
| 48 | L | 40.6 | Very low | 44.3 | Very low | 139 Ų | 139 | 133.1 Ų | 133.1 | 73% | 0.728 | 76% | 0.758 | S | S | * | * | | | trans | 85.6 | 136.6 | 172.7 | -75.1 | 78.3 | 0 | 0 | 0 | 117.2 | | |
| 49 | Q | 39.3 | Very low | 44.4 | Very low | 170 Ų | 170 | 131.3 Ų | 131.3 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | | | cis | -162.6 | 156.9 | -22.7 | -134 | 163.1 | 0.1 | 0 | 0 | 111.9 | | |
| 50 | T | 37.9 | Very low | 43.7 | Very low | 121 Ų | 121 | 129.3 Ų | 129.3 | 74% | 0.742 | 76% | 0.757 | S | S | * | * | | | trans | -90.2 | 173.8 | 168.7 | 57.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 51 | P | 46.2 | Very low | 44 | Very low | 104 Ų | 104 | 125.7 Ų | 125.7 | 68% | 0.675 | 75% | 0.745 | S | S | * | * | | | cis | -121 | 178 | 49.7 | 7.1 | 20.2 | 0 | 0 | 0 | 114.3 | | |
| 52 | T | 45.2 | Very low | 44.2 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | | | | 67.9 | 154.3 | 50.4 | -16.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 53 | E | 45.1 | Very low | 44.4 | Very low | 171 Ų | 171 | 132.1 Ų | 132.1 | 80% | 0.799 | 75% | 0.75 | S | S | * | * | | | cis | -157.7 | 167.9 | 18.4 | -3.6 | -139.9 | 77.8 | 0 | 0 | 108 | | |
| 54 | D | 46.4 | Very low | 44.5 | Very low | 165 Ų | 165 | 129.8 Ų | 129.8 | 88% | 0.882 | 75% | 0.747 | S | S | * | * | | | cis | -165.5 | 176.6 | -5.6 | -175.8 | 30.3 | 0 | 0 | 0 | 109.9 | | |
| 55 | G | 42.8 | Very low | 44.3 | Very low | 54 Ų | 54 | 129.7 Ų | 129.7 | 56% | 0.557 | 75% | 0.754 | S | S | * | * | | | trans | 122.3 | 108.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 56 | S | 48.6 | Very low | 44.7 | Very low | 112 Ų | 112 | 127.5 Ų | 127.5 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | | | | 84.7 | 139.8 | 53.6 | 83.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 57 | E | 46.7 | Very low | 44.4 | Very low | 188 Ų | 188 | 131.6 Ų | 131.6 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | | | cis | -140.6 | 171.7 | 15.3 | -65.7 | 177.9 | 115.1 | 0 | 0 | 113.8 | | |
| 58 | E | 43 | Very low | 44.2 | Very low | 183 Ų | 183 | 132 Ų | 132 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | | | trans | -103.2 | -159.6 | 168 | -106.3 | -137.3 | 149.1 | 0 | 0 | 109.8 | | |
| 59 | P | 48.1 | Very low | 44.2 | Very low | 113 Ų | 113 | 131.3 Ų | 131.3 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | | | cis | -134 | -179 | -12.7 | 22.7 | 2.5 | 0 | 0 | 0 | 115.8 | | |
| 60 | G | 39.4 | Very low | 44.7 | Very low | 75 Ų | 75 | 128.5 Ų | 128.5 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | | | trans | 97.9 | 160.7 | 144.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 61 | S | 51 | Low | 44.7 | Very low | 88 Ų | 88 | 128.5 Ų | 128.5 | 62% | 0.615 | 77% | 0.77 | S | S | * | * | | | cis | -161.3 | 159.7 | -12.7 | 69 | 0 | 0 | 0 | 0 | 112.2 | | |
| 62 | E | 46.7 | Very low | 45.1 | Very low | 169 Ų | 169 | 128.4 Ų | 128.4 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | | | trans | 60.2 | 174 | 151.1 | -67.9 | 160.6 | 119.4 | 0 | 0 | 118 | | |
| 63 | T | 44.7 | Very low | 44.7 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | | | cis | -155.1 | 161.6 | -31.8 | 28.7 | 0 | 0 | 0 | 0 | 107 | | |
| 64 | S | 49 | Very low | 44.9 | Very low | 107 Ų | 107 | 128.6 Ų | 128.6 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | | | cis | -161.6 | -166.3 | -10.7 | 55.3 | 0 | 0 | 0 | 0 | 110 | | |
| 65 | D | 41.1 | Very low | 44.8 | Very low | 157 Ų | 157 | 130 Ų | 130 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | | | trans | -61.4 | 156.5 | -175.2 | -54.5 | -113.3 | 0 | 0 | 0 | 118.8 | | |
| 66 | A | 46 | Very low | 44.9 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 88% | 0.884 | 81% | 0.807 | S | S | * | * | | | trans | -154.6 | 140.7 | 137.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 67 | K | 39.7 | Very low | 44.4 | Very low | 195 Ų | 195 | 136.2 Ų | 136.2 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | | | trans | -142.7 | 136.3 | -178.2 | 165.5 | -172.4 | 173.8 | -176.8 | 0 | 110.1 | | |
| 68 | S | 41 | Very low | 44.1 | Very low | 118 Ų | 118 | 130.3 Ų | 130.3 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | | | trans | -172.5 | 132.4 | 149 | -85 | 0 | 0 | 0 | 0 | 115.4 | | |
| 69 | T | 41.1 | Very low | 44.2 | Very low | 124 Ų | 124 | 130 Ų | 130 | 76% | 0.761 | 80% | 0.8 | S | S | * | * | | | trans | -97.9 | 178 | 149.6 | 48.1 | 0 | 0 | 0 | 0 | 107.7 | | |
| 70 | P | 49.8 | Very low | 43.8 | Very low | 110 Ų | 110 | 127.6 Ų | 127.6 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | | | cis | -149.9 | -173.1 | 22.8 | 45.9 | -24.3 | 0 | 0 | 0 | 118.5 | | |
| 71 | T | 36.7 | Very low | 43.9 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | | | trans | 30.7 | 133.1 | 147.1 | -49.5 | 0 | 0 | 0 | 0 | 123 | E73 | T71-E73 HydrophobicContact CG2-CG 4.41Š|
| 72 | A | 54.5 | Low | 43.6 | Very low | 102 Ų | 102 | 133.8 Ų | 133.8 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | | | trans | -143.7 | 153.8 | 143.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 73 | E | 37.5 | Very low | 43.7 | Very low | 186 Ų | 186 | 131 Ų | 131 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | | | trans | -118.4 | 152.7 | -178.3 | -59.7 | 178.6 | 144.6 | 0 | 0 | 111.3 | T71 | T71-E73 HydrophobicContact CG2-CG 4.41Š|
| 74 | A | 49.7 | Very low | 43.5 | Very low | 103 Ų | 103 | 130.6 Ų | 130.6 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | | | trans | -162.7 | 144.1 | 159.9 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 75 | E | 43.3 | Very low | 43.7 | Very low | 194 Ų | 194 | 131.6 Ų | 131.6 | 91% | 0.907 | 81% | 0.805 | S | S | * | * | | | trans | -94 | 161.5 | 170 | -55.6 | -171.4 | 141.2 | 0 | 0 | 111.1 | | |
| 76 | E | 44.9 | Very low | 44.2 | Very low | 199 Ų | 199 | 131.6 Ų | 131.6 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | | | | -163.5 | 169.6 | 107.6 | -156.8 | 163.2 | 151.5 | 0 | 0 | 109.4 | | |
| 77 | A | 39.2 | Very low | 44.3 | Very low | 99 Ų | 99 | 133.5 Ų | 133.5 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | -114.5 | 167.2 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 78 | G | 38.8 | Very low | 45.3 | Very low | 64 Ų | 64 | 132.9 Ų | 132.9 | 66% | 0.66 | 80% | 0.795 | S | S | * | * | | | trans | 152.8 | 109.7 | 157.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 79 | I | 46.3 | Very low | 45.5 | Very low | 175 Ų | 175 | 131.4 Ų | 131.4 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | | | | 40.7 | 129 | 128.3 | -49.8 | 147.5 | 0 | 0 | 0 | 117.8 | | |
| 80 | G | 39.8 | Very low | 46.1 | Very low | 64 Ų | 64 | 130.4 Ų | 130.4 | 66% | 0.66 | 80% | 0.795 | S | S | * | * | | | cis | 163.9 | -176.3 | 3.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 81 | D | 41 | Very low | 45.7 | Very low | 159 Ų | 159 | 129 Ų | 129 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | | | trans | 53.8 | 107.2 | 160.3 | -55.6 | -25.1 | 0 | 0 | 0 | 121.7 | | |
| 82 | T | 44 | Very low | 46.3 | Very low | 133 Ų | 133 | 130.7 Ų | 130.7 | 82% | 0.816 | 80% | 0.799 | S | S | * | * | | | trans | -68 | 157.9 | 150.7 | 59.9 | 0 | 0 | 0 | 0 | 111 | | |
| 83 | P | 49.6 | Very low | 45.9 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | | -156.4 | 145.3 | 97.5 | 37.4 | -19.1 | 0 | 0 | 0 | 117.9 | | |
| 84 | S | 40.6 | Very low | 46.8 | Very low | 112 Ų | 112 | 128.6 Ų | 128.6 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | | | trans | 58.8 | 179.8 | 146 | -124.2 | 0 | 0 | 0 | 0 | 117 | | |
| 85 | L | 53.1 | Low | 46.5 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | | | cis | -137.5 | -175.7 | 17.7 | -69.4 | 162.8 | 0 | 0 | 0 | 112.2 | | |
| 86 | E | 50.7 | Low | 46.6 | Very low | 158 Ų | 158 | 128.4 Ų | 128.4 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | | | trans | 20.6 | 120 | 158.7 | 57.9 | -118.4 | 156.4 | 0 | 0 | 120.6 | | |
| 87 | D | 49.7 | Very low | 46.5 | Very low | 147 Ų | 147 | 129.5 Ų | 129.5 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | | | | 74.6 | 114.7 | 52.9 | -164.3 | 30.3 | 0 | 0 | 0 | 114.1 | | |
| 88 | E | 60.7 | Low | 47 | Very low | 181 Ų | 181 | 134.1 Ų | 134.1 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | | | trans | -164.5 | 142.1 | 156 | -108.6 | -52.8 | 162.5 | 0 | 0 | 109.8 | | |
| 89 | A | 43.5 | Very low | 47.3 | Very low | 87 Ų | 87 | 136.6 Ų | 136.6 | 72% | 0.719 | 79% | 0.794 | S | S | * | * | | | trans | -148.2 | 82 | -164.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 90 | A | 54 | Low | 47.7 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | | | trans | -149.2 | 151.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 91 | G | 42.4 | Very low | 48.2 | Very low | 80 Ų | 80 | 139.6 Ų | 139.6 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | | | cis | 138.5 | 89.8 | 1.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 92 | H | 49.9 | Very low | 48.4 | Very low | 157 Ų | 157 | 136.7 Ų | 136.7 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | trans | -140.6 | 114.8 | -179.8 | -173.2 | -116.1 | 0 | 0 | 0 | 112.5 | T94 | H92-T94 PolarHBondContact CE1-OG1 3.3Š|
| 93 | V | 46.1 | Very low | 48.9 | Very low | 132 Ų | 132 | 140.1 Ų | 140.1 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | | | trans | -110.3 | 124.7 | 169.2 | 170.5 | 0 | 0 | 0 | 0 | 108 | | |
| 94 | T | 55.9 | Low | 48.7 | Very low | 113 Ų | 113 | 142.1 Ų | 142.1 | 69% | 0.693 | 80% | 0.797 | S | S | * | * | | | trans | -122.3 | 130.5 | 168.6 | 9.8 | 0 | 0 | 0 | 0 | 109.9 | H92 | H92-T94 PolarHBondContact CE1-OG1 3.3Š|
| 95 | Q | 42.5 | Very low | 49 | Very low | 183 Ų | 183 | 140.5 Ų | 140.5 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | | | trans | -92.6 | 140.8 | 178.5 | -57.6 | 178.6 | 23.9 | 0 | 0 | 110.3 | | |
| 96 | A | 45.3 | Very low | 48.6 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | | | trans | -133.6 | 124.9 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 97 | R | 43 | Very low | 48.2 | Very low | 222 Ų | 222 | 138 Ų | 138 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | | | trans | -116.4 | 125 | -167.9 | 168.1 | -169.4 | 176.9 | -167.4 | 2.2 | 109.9 | V99 | R97-V99 HydrophobicContact CG-CG2 4.33Š|
| 98 | M | 49.7 | Very low | 48.2 | Very low | 196 Ų | 196 | 135.9 Ų | 135.9 | 97% | 0.966 | 81% | 0.811 | S | S | * | * | | | trans | -136.1 | 156.5 | 159.8 | -73.4 | -151.6 | -175 | 0 | 0 | 110.9 | | |
| 99 | V | 45.8 | Very low | 47.8 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 70% | 0.703 | 80% | 0.804 | S | S | * | * | | | trans | -138.7 | 122.2 | -161.4 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | R97 | R97-V99 HydrophobicContact CG-CG2 4.33Š|
| 100 | S | 53.8 | Low | 48.1 | Very low | 118 Ų | 118 | 135 Ų | 135 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | | | trans | -170.4 | 147.5 | 153.3 | 51.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 101 | K | 51.2 | Low | 48.1 | Very low | 184 Ų | 184 | 138.4 Ų | 138.4 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | | | cis | -179.8 | 114.9 | -40.8 | 159.9 | 166.2 | 176.4 | 178.5 | 0 | 104.2 | | |
| 102 | S | 44.8 | Very low | 47.8 | Very low | 98 Ų | 98 | 144 Ų | 144 | 69% | 0.685 | 80% | 0.797 | S | S | * | * | | | trans | 49.3 | 123.6 | 163.2 | 62.8 | 0 | 0 | 0 | 0 | 120.1 | | |
| 103 | K | 55.2 | Low | 47.5 | Very low | 204 Ų | 204 | 141 Ų | 141 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | | | | -157.2 | 148 | 93.8 | -162.5 | 159.5 | -175.9 | 174.3 | 0 | 111.8 | | |
| 104 | D | 44.2 | Very low | 47.2 | Very low | 155 Ų | 155 | 144.8 Ų | 144.8 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | | | trans | -78.3 | 152.8 | -172.3 | -47.3 | -94.9 | 0 | 0 | 0 | 113.5 | | |
| 105 | G | 47.7 | Very low | 46.3 | Very low | 78 Ų | 78 | 142.8 Ų | 142.8 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | | | trans | -177.6 | 82 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 106 | T | 44 | Very low | 46.6 | Very low | 157 Ų | 157 | 138.2 Ų | 138.2 | 96% | 0.963 | 80% | 0.8 | S | S | * | * | | | trans | -69.5 | 130.6 | -176.2 | -45.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 107 | G | 43.8 | Very low | 46.5 | Very low | 75 Ų | 75 | 140.9 Ų | 140.9 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | trans | -173.2 | 135.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 108 | S | 49.2 | Very low | 46.5 | Very low | 103 Ų | 103 | 133.8 Ų | 133.8 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | | | trans | -122.6 | 153 | -159.6 | -148.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 109 | D | 52.9 | Low | 46.2 | Very low | 132 Ų | 132 | 133.7 Ų | 133.7 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | | | trans | 77 | 143.7 | 152.1 | -63.1 | -56.7 | 0 | 0 | 0 | 123.7 | | |
| 110 | D | 49.6 | Very low | 45.9 | Very low | 118 Ų | 118 | 134 Ų | 134 | 63% | 0.631 | 79% | 0.792 | S | S | * | * | | | trans | 43.1 | 110.9 | 162.4 | -67.4 | -40.4 | 0 | 0 | 0 | 122 | | |
| 111 | K | 52.7 | Low | 45.5 | Very low | 176 Ų | 176 | 137.4 Ų | 137.4 | 77% | 0.765 | 79% | 0.792 | S | S | * | * | | | | 78.4 | 102.6 | 63.9 | -70.7 | -169.4 | -151.7 | 88.4 | 0 | 115.3 | | |
| 112 | K | 37 | Very low | 45 | Very low | 196 Ų | 196 | 136.6 Ų | 136.6 | 85% | 0.852 | 79% | 0.794 | S | S | * | * | | | | 63.1 | 92.7 | 122.1 | -165.4 | 177.1 | -179.1 | 176.5 | 0 | 119.2 | | |
| 113 | A | 43.3 | Very low | 45 | Very low | 94 Ų | 94 | 135.3 Ų | 135.3 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | | | trans | 14.7 | 140 | 131.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 114 | K | 40.3 | Very low | 44.7 | Very low | 213 Ų | 213 | 132.3 Ų | 132.3 | 93% | 0.926 | 79% | 0.789 | S | S | * | * | | | | -179 | 137.1 | 109.1 | -179.1 | 169 | -179.2 | 178.1 | 0 | 114.1 | | |
| 115 | G | 36.5 | Very low | 45 | Very low | 71 Ų | 71 | 130.8 Ų | 130.8 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | | | trans | 101.4 | 163 | 154.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 116 | A | 48 | Very low | 44.8 | Very low | 86 Ų | 86 | 138.7 Ų | 138.7 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | | | cis | -170.3 | 149.3 | -19.1 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 117 | D | 43.2 | Very low | 44.6 | Very low | 167 Ų | 167 | 134.8 Ų | 134.8 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | | | trans | 58.5 | 114.5 | 150.1 | -52.3 | -28.3 | 0 | 0 | 0 | 123.4 | | |
| 118 | G | 42.6 | Very low | 44.5 | Very low | 73 Ų | 73 | 136.4 Ų | 136.4 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | | | trans | 172.8 | 147.7 | 151.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 119 | K | 43.7 | Very low | 44.1 | Very low | 193 Ų | 193 | 135.8 Ų | 135.8 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | | | cis | -171.2 | 175 | -11.7 | -147.2 | 169.6 | -171.2 | 167.1 | 0 | 109.3 | | |
| 120 | T | 40.5 | Very low | 43.8 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | trans | 78.1 | 153.1 | 164.3 | 83.1 | 0 | 0 | 0 | 0 | 117.2 | | |
| 121 | K | 44.7 | Very low | 43.8 | Very low | 190 Ų | 190 | 135.5 Ų | 135.5 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | | | cis | -164.9 | -173.2 | -20.3 | -114.1 | -171.2 | 178.6 | -175.2 | 0 | 109.9 | | |
| 122 | I | 42.1 | Very low | 43.1 | Very low | 166 Ų | 166 | 130.6 Ų | 130.6 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | | | trans | 95.9 | 133.4 | 161.6 | -55.2 | 170.9 | 0 | 0 | 0 | 114.7 | | |
| 123 | A | 44.5 | Very low | 43.7 | Very low | 72 Ų | 72 | 129.4 Ų | 129.4 | 60% | 0.595 | 80% | 0.799 | S | S | * | * | | | cis | -165.1 | 154.9 | -26.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 124 | T | 49 | Very low | 43.4 | Very low | 140 Ų | 140 | 134.1 Ų | 134.1 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | | | trans | 68.7 | 155.8 | 150 | 39.3 | 0 | 0 | 0 | 0 | 121.6 | | |
| 125 | P | 50.9 | Low | 43.3 | Very low | 124 Ų | 124 | 127.6 Ų | 127.6 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | | | trans | -133.6 | -165 | -156.3 | 43.8 | -25.3 | 0 | 0 | 0 | 114.5 | | |
| 126 | R | 42.3 | Very low | 43.8 | Very low | 244 Ų | 244 | 133 Ų | 133 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | | | | 160.1 | 126 | 129.1 | -178.8 | 176.8 | -162.6 | 158.6 | 2 | 115.7 | | |
| 127 | G | 39.9 | Very low | 43.5 | Very low | 74 Ų | 74 | 133.2 Ų | 133.2 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | | | trans | 82.8 | 153.2 | 153.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 128 | A | 42.7 | Very low | 43.3 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 90% | 0.901 | 80% | 0.801 | S | S | * | * | | | cis | -155.4 | 178.3 | -9.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 129 | A | 39.5 | Very low | 43.1 | Very low | 91 Ų | 91 | 133.5 Ų | 133.5 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | | | trans | -137.6 | -167 | -178.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 130 | P | 46.2 | Very low | 43.3 | Very low | 122 Ų | 122 | 131.5 Ų | 131.5 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | | | cis | -128.3 | -107.5 | -5.7 | 23.5 | 4.7 | 0 | 0 | 0 | 116.5 | | |
| 131 | P | 49.5 | Very low | 43.5 | Very low | 122 Ų | 122 | 136.8 Ų | 136.8 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | | | | -132.8 | 166.4 | -122.7 | 42.6 | -24.1 | 0 | 0 | 0 | 119.3 | | |
| 132 | G | 39.3 | Very low | 43.5 | Very low | 72 Ų | 72 | 135.2 Ų | 135.2 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | | | trans | 146.8 | 158.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 133 | Q | 48.9 | Very low | 43.5 | Very low | 172 Ų | 172 | 132.9 Ų | 132.9 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | cis | -147.4 | 179.7 | -3.8 | -64.4 | -167.4 | 10.4 | 0 | 0 | 111.7 | | |
| 134 | K | 37.4 | Very low | 43 | Very low | 192 Ų | 192 | 133.6 Ų | 133.6 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | | | trans | -17.2 | 150.9 | 158.3 | -51 | 158.7 | -173.9 | 169.9 | 0 | 116.1 | | |
| 135 | G | 38 | Very low | 42.6 | Very low | 76 Ų | 76 | 137.3 Ų | 137.3 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | | | cis | 179.7 | -151.2 | 7.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 136 | Q | 47.8 | Very low | 42.3 | Very low | 186 Ų | 186 | 137.2 Ų | 137.2 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | | | cis | -168.1 | 140.8 | -9.5 | -170.9 | 175 | -2.9 | 0 | 0 | 108.3 | | |
| 137 | A | 40.4 | Very low | 42.9 | Very low | 90 Ų | 90 | 131 Ų | 131 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | | | trans | 64.1 | 168.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 138 | N | 39.1 | Very low | 43.3 | Very low | 159 Ų | 159 | 133.5 Ų | 133.5 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | | | cis | -142.7 | 160.2 | -0.8 | -149.3 | -10.6 | 0 | 0 | 0 | 111.8 | | |
| 139 | A | 39.7 | Very low | 43.2 | Very low | 87 Ų | 87 | 132.7 Ų | 132.7 | 72% | 0.719 | 80% | 0.799 | S | S | * | * | | | trans | -108.3 | 131.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 140 | T | 47.5 | Very low | 43.3 | Very low | 151 Ų | 151 | 133.5 Ų | 133.5 | 93% | 0.926 | 80% | 0.797 | S | S | * | * | | | trans | -95.4 | 103.3 | 175.1 | -55.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 141 | R | 44.1 | Very low | 42.9 | Very low | 234 Ų | 234 | 136.9 Ų | 136.9 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | | | trans | -88.5 | 153.9 | 172.3 | -118.2 | -175.2 | -176.8 | -150.5 | 3 | 111.5 | | |
| 142 | I | 44.5 | Very low | 42.4 | Very low | 157 Ų | 157 | 137.8 Ų | 137.8 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | | | trans | -62.4 | 138.4 | 175.5 | -56.7 | 154.7 | 0 | 0 | 0 | 111.3 | | |
| 143 | P | 41.4 | Very low | 42.5 | Very low | 116 Ų | 116 | 140 Ų | 140 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | | | trans | -106.5 | 117 | 152.3 | 33.7 | -24.3 | 0 | 0 | 0 | 111.1 | | |
| 144 | A | 35.1 | Very low | 42.1 | Very low | 88 Ų | 88 | 137.7 Ų | 137.7 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | trans | -77.9 | 142.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 145 | K | 40.5 | Very low | 42.2 | Very low | 217 Ų | 217 | 134.2 Ų | 134.2 | 94% | 0.943 | 80% | 0.804 | S | S | * | * | | | trans | -96.4 | 97 | 171.3 | -81.3 | -168.4 | 173.9 | -176.4 | 0 | 111.3 | | |
| 146 | T | 43.7 | Very low | 42.2 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 135.7 | 165.7 | -46.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 147 | P | 55.9 | Low | 41.7 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 135.2 | 173.4 | 31.4 | -33.2 | 0 | 0 | 0 | 111.6 | | |
| 148 | P | 48.9 | Very low | 41.8 | Very low | 126 Ų | 126 | 135.7 Ų | 135.7 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 131.8 | 172.6 | 33.7 | -31.5 | 0 | 0 | 0 | 112.5 | | |
| 149 | A | 40 | Very low | 42 | Very low | 91 Ų | 91 | 133.5 Ų | 133.5 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | | | trans | -85.7 | -179.8 | 150.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 150 | P | 40.9 | Very low | 42.1 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 71% | 0.708 | 80% | 0.804 | S | S | * | * | | | cis | -141.6 | -155.4 | 7.2 | 36.4 | -12.1 | 0 | 0 | 0 | 114.7 | | |
| 151 | K | 38.1 | Very low | 41.7 | Very low | 193 Ų | 193 | 138.1 Ų | 138.1 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | | | trans | 88.4 | 109.2 | 166.6 | -50.1 | 170.7 | -174.1 | 178.3 | 0 | 115.1 | | |
| 152 | T | 39.9 | Very low | 41.4 | Very low | 140 Ų | 140 | 132.7 Ų | 132.7 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | | | | -152 | 160.8 | 73.4 | 32 | 0 | 0 | 0 | 0 | 114.9 | | |
| 153 | P | 40.4 | Very low | 41 | Very low | 120 Ų | 120 | 128.9 Ų | 128.9 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | | | trans | -121.4 | -164.6 | 178.1 | 41.3 | -26.2 | 0 | 0 | 0 | 113.1 | | |
| 154 | P | 41.7 | Very low | 40.8 | Very low | 122 Ų | 122 | 130.9 Ų | 130.9 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | | | | -126.1 | 165.4 | -58.8 | 36.9 | -22.4 | 0 | 0 | 0 | 113 | | |
| 155 | S | 37.9 | Very low | 41 | Very low | 120 Ų | 120 | 138 Ų | 138 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | | | trans | -159.6 | 169.3 | 161.9 | -158.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 156 | S | 39.6 | Very low | 41 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | | | trans | -63.2 | 163.4 | -176.8 | 53.8 | 0 | 0 | 0 | 0 | 115.3 | | |
| 157 | G | 37.7 | Very low | 40.8 | Very low | 69 Ų | 69 | 131.2 Ų | 131.2 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | | | cis | 177.1 | -171.9 | 2.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 158 | E | 40.7 | Very low | 40.3 | Very low | 197 Ų | 197 | 135.6 Ų | 135.6 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | | | trans | -76.3 | 142.2 | -171.4 | -66.8 | 165.4 | 88.5 | 0 | 0 | 115.4 | | |
| 159 | P | 43.1 | Very low | 40.2 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 74% | 0.74 | 81% | 0.809 | S | S | * | * | | | trans | -85.3 | 170.9 | 149.1 | 38.2 | -33.3 | 0 | 0 | 0 | 110.5 | | |
| 160 | P | 42.7 | Very low | 40.3 | Very low | 121 Ų | 121 | 135 Ų | 135 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | | | cis | -129.1 | 173.9 | 7.5 | 41.5 | -27.4 | 0 | 0 | 0 | 114.6 | | |
| 161 | K | 38.7 | Very low | 40.8 | Very low | 214 Ų | 214 | 136 Ų | 136 | 93% | 0.93 | 81% | 0.813 | S | S | * | * | | | trans | -148.5 | 143.9 | 148.9 | -117.2 | 163.1 | -171.6 | 170 | 0 | 111.6 | | |
| 162 | S | 37.3 | Very low | 40.8 | Very low | 120 Ų | 120 | 130.4 Ų | 130.4 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | | | trans | -105.9 | 151.8 | -170.2 | 54.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 163 | G | 37.4 | Very low | 41 | Very low | 76 Ų | 76 | 129.5 Ų | 129.5 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | | | trans | 118 | 97.5 | 152.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 164 | D | 37.1 | Very low | 41.4 | Very low | 158 Ų | 158 | 130 Ų | 130 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | | | trans | -158.1 | 157.3 | 158.9 | -133.9 | -34.8 | 0 | 0 | 0 | 111 | | |
| 165 | R | 39.1 | Very low | 41.2 | Very low | 239 Ų | 239 | 127.9 Ų | 127.9 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | | | trans | 70.3 | 137.9 | -167.3 | -51.8 | 174.4 | 173.9 | -176.5 | -3.7 | 113.9 | | |
| 166 | S | 40.8 | Very low | 42 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | | | cis | -157.2 | 161.1 | -1.1 | 46.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 167 | G | 39.4 | Very low | 42.3 | Very low | 72 Ų | 72 | 129.8 Ų | 129.8 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | | | cis | 166.4 | 179.5 | -3.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 168 | Y | 45.4 | Very low | 42.5 | Very low | 207 Ų | 207 | 129.9 Ų | 129.9 | 81% | 0.812 | 82% | 0.819 | S | S | * | * | | | trans | 59.7 | 112.1 | 166.3 | -166.2 | -92.6 | 0 | 0 | 0 | 120.3 | | |
| 169 | S | 46.8 | Very low | 42.9 | Very low | 105 Ų | 105 | 125.7 Ų | 125.7 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | | | | -172.1 | 126.8 | 121 | -107.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 170 | S | 42.5 | Very low | 43.1 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 69% | 0.685 | 82% | 0.818 | S | S | * | * | | | trans | -125.7 | -167.9 | 178.7 | -46 | 0 | 0 | 0 | 0 | 108.7 | | |
| 171 | P | 50.8 | Low | 43.5 | Very low | 131 Ų | 131 | 130.9 Ų | 130.9 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | | | cis | -133.7 | -176.2 | -12.5 | 41.5 | -24.7 | 0 | 0 | 0 | 114.3 | | |
| 172 | G | 38 | Very low | 43.9 | Very low | 75 Ų | 75 | 132.1 Ų | 132.1 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | | | trans | 150.7 | 111.4 | 154 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 173 | S | 44.8 | Very low | 44.3 | Very low | 121 Ų | 121 | 133.1 Ų | 133.1 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | | | trans | -136.7 | 158.9 | 164.6 | -43.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 174 | P | 48.5 | Very low | 44.7 | Very low | 130 Ų | 130 | 135 Ų | 135 | 84% | 0.844 | 82% | 0.815 | S | S | * | * | | | | -159.3 | 176.7 | 71.1 | 42.4 | -21.5 | 0 | 0 | 0 | 118.3 | | |
| 175 | G | 38.1 | Very low | 45.1 | Very low | 78 Ų | 78 | 132.7 Ų | 132.7 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | | | trans | 102.7 | 118.5 | 134 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 176 | T | 53.4 | Low | 45.6 | Very low | 140 Ų | 140 | 129.4 Ų | 129.4 | 86% | 0.859 | 81% | 0.811 | S | S | * | * | | | trans | -117.4 | 149.8 | 160.5 | 55.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 177 | P | 46.1 | Very low | 45.8 | Very low | 136 Ų | 136 | 128.8 Ų | 128.8 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | | | | -149.4 | 174.8 | 120.7 | 38.6 | -23.8 | 0 | 0 | 0 | 114 | | |
| 178 | G | 42.6 | Very low | 46.3 | Very low | 72 Ų | 72 | 132 Ų | 132 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | | | trans | 152.9 | 45 | 158.7 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 179 | S | 47.5 | Very low | 46.9 | Very low | 108 Ų | 108 | 127.8 Ų | 127.8 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | | | trans | 32.5 | 134 | 141.6 | -70 | 0 | 0 | 0 | 0 | 124 | | |
| 180 | R | 48.3 | Very low | 47.2 | Very low | 237 Ų | 237 | 128 Ų | 128 | 89% | 0.894 | 81% | 0.806 | S | S | * | * | | | trans | 77.3 | 149 | 149.3 | -64.7 | 167 | -178.9 | -173.1 | -0.5 | 117.3 | | |
| 181 | S | 51.9 | Low | 47.2 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | | | cis | -152.4 | 170.4 | -6.9 | -120.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 182 | R | 46 | Very low | 47.3 | Very low | 239 Ų | 239 | 134.7 Ų | 134.7 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | | | trans | -84.2 | 142.2 | -169.3 | -44 | 162.1 | -162.7 | 161.3 | 3.8 | 113.1 | | |
| 183 | T | 45.2 | Very low | 48.2 | Very low | 141 Ų | 141 | 138.2 Ų | 138.2 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | | | trans | -145.8 | 135.5 | 152.2 | 44.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 184 | P | 47.6 | Very low | 48.4 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | | | trans | -108.8 | 144 | -179.7 | 37.7 | -31.3 | 0 | 0 | 0 | 114.8 | | |
| 185 | S | 43.7 | Very low | 48.5 | Very low | 111 Ų | 111 | 141.8 Ų | 141.8 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | | | trans | 39 | 121.7 | 149.4 | 61.7 | 0 | 0 | 0 | 0 | 121.8 | | |
| 186 | L | 49.8 | Very low | 49.1 | Very low | 170 Ų | 170 | 148.1 Ų | 148.1 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | | | trans | -146.2 | 138.7 | 146.7 | -146.6 | 75.7 | 0 | 0 | 0 | 110.2 | | |
| 187 | P | 45.5 | Very low | 49.1 | Very low | 110 Ų | 110 | 148.1 Ų | 148.1 | 71% | 0.714 | 82% | 0.815 | S | S | * | * | | | trans | -114.1 | 136.4 | -173.3 | 38.1 | -30 | 0 | 0 | 0 | 115.5 | | |
| 188 | T | 50 | Low | 49.6 | Very low | 141 Ų | 141 | 145.4 Ų | 145.4 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | | | trans | 174.7 | 168.1 | 161.2 | 13 | 0 | 0 | 0 | 0 | 109.7 | | |
| 189 | P | 57 | Low | 50.4 | Low | 117 Ų | 117 | 148 Ų | 148 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | | | cis | -121 | -176.6 | -23.2 | 38.5 | -22.5 | 0 | 0 | 0 | 112.1 | | |
| 190 | P | 53.8 | Low | 51 | Low | 110 Ų | 110 | 148.6 Ų | 148.6 | 71% | 0.714 | 80% | 0.804 | S | S | * | * | | | trans | -111.8 | 168.4 | -165.2 | 41.3 | -35.1 | 0 | 0 | 0 | 117.7 | | |
| 191 | T | 43.4 | Very low | 51.6 | Low | 133 Ų | 133 | 147.8 Ų | 147.8 | 82% | 0.816 | 80% | 0.801 | S | S | * | * | | | trans | 61.9 | 124.2 | 154.3 | 49.7 | 0 | 0 | 0 | 0 | 122.7 | | |
| 192 | R | 52.4 | Low | 52.4 | Low | 237 Ų | 237 | 148.2 Ų | 148.2 | 89% | 0.894 | 80% | 0.799 | S | S | * | * | | | | -148 | 154.4 | 118.6 | -114.9 | -177.5 | -177.4 | -120.7 | -3.5 | 111.4 | | |
| 193 | E | 56.4 | Low | 53.7 | Low | 149 Ų | 149 | 141.9 Ų | 141.9 | 70% | 0.696 | 79% | 0.789 | S | S | * | * | | | trans | -89 | 158.2 | -160.4 | 62.2 | -101.9 | 72.7 | 0 | 0 | 116.7 | | |
| 194 | P | 49.4 | Very low | 55 | Low | 124 Ų | 124 | 141.3 Ų | 141.3 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | | | trans | -92.1 | 146.6 | -165.7 | 35.4 | -35.3 | 0 | 0 | 0 | 114.5 | | |
| 195 | K | 49.9 | Very low | 56.2 | Low | 201 Ų | 201 | 145.3 Ų | 145.3 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | | | trans | -136 | 113.6 | 168.1 | -74.9 | -174.7 | 178.2 | 172.1 | 0 | 113.7 | | |
| 196 | K | 52.2 | Low | 57.7 | Low | 211 Ų | 211 | 145.1 Ų | 145.1 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | | | trans | 57.1 | 106.7 | 160.7 | -65.9 | -170 | 174.2 | -176.2 | 0 | 118.6 | | |
| 197 | V | 52.1 | Low | 59 | Low | 141 Ų | 141 | 143 Ų | 143 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | | | trans | -58.9 | 130 | 162.6 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 198 | A | 56.8 | Low | 60.1 | Low | 79 Ų | 79 | 143.7 Ų | 143.7 | 65% | 0.653 | 80% | 0.796 | S | S | * | * | | | trans | -88.4 | 135.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | V200 | A198-V200 PolarHBondContact O-N 3.35Š|
| 199 | V | 59.6 | Low | 61 | Low | 125 Ų | 125 | 141.9 Ų | 141.9 | 76% | 0.758 | 79% | 0.789 | S | S | * | * | | | trans | -77.7 | 92.2 | -179.6 | -178.9 | 0 | 0 | 0 | 0 | 110 | R201 | V199-R201 PolarHBondContact O-N 3.14Å; V199-R201 VanDerWaalsContact O-N 3.11Å |
| 200 | V | 60.9 | Low | 61.4 | Low | 121 Ų | 121 | 140.7 Ų | 140.7 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | | | trans | -71.1 | 101.8 | 173.8 | -179 | 0 | 0 | 0 | 0 | 109.4 | A198 T202 | A198-V200 PolarHBondContact O-N 3.35Å; V200-T202 HydrophobicContact CG1-CG2 4.4Å; V200-T202 PolarHBondContact O-N 3.44Å |
| 201 | R | 60.7 | Low | 61.8 | Low | 221 Ų | 221 | 145.5 Ų | 145.5 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | | | trans | -77.3 | 106 | 164.4 | -77.2 | -175.4 | 163.8 | 96.5 | -3.3 | 108.9 | V199 | V199-R201 PolarHBondContact O-N 3.14Å; V199-R201 VanDerWaalsContact O-N 3.11Å |
| 202 | T | 68.2 | Low | 62.8 | Low | 117 Ų | 117 | 144.4 Ų | 144.4 | 72% | 0.718 | 80% | 0.796 | S | S | * | * | | | trans | -70.4 | 134.2 | 171.1 | 42.1 | 0 | 0 | 0 | 0 | 110.3 | V200 | V200-T202 HydrophobicContact CG1-CG2 4.4Å; V200-T202 PolarHBondContact O-N 3.44Å |
| 203 | P | 72.2 | Confident | 63.4 | Low | 105 Ų | 105 | 143.9 Ų | 143.9 | 68% | 0.682 | 79% | 0.794 | S | S | * | * | | | trans | -68.6 | 138 | 175.1 | 27.8 | -33.5 | 0 | 0 | 0 | 110.1 | K205 | P203-K205 PolarHBondContact O-N 3.02Š|
| 204 | P | 74.1 | Confident | 63.7 | Low | 129 Ų | 129 | 144.8 Ų | 144.8 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | | | trans | -69.3 | 114.3 | -175.5 | 27.3 | -34.1 | 0 | 0 | 0 | 111.1 | | |
| 205 | K | 71.4 | Confident | 64.7 | Low | 199 Ų | 199 | 147.8 Ų | 147.8 | 87% | 0.865 | 81% | 0.806 | S | S | * | * | | | trans | -95.3 | 101.1 | 168.3 | -73.7 | -175.2 | 175.6 | -179.2 | 0 | 109.6 | P203 | P203-K205 PolarHBondContact O-N 3.02Š|
| 206 | S | 76.1 | Confident | 65.5 | Low | 107 Ų | 107 | 144.7 Ų | 144.7 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 143.3 | 169.2 | -52 | 0 | 0 | 0 | 0 | 110.7 | | |
| 207 | P | 76.3 | Confident | 66.4 | Low | 126 Ų | 126 | 138.9 Ų | 138.9 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 138.2 | 171.5 | 27.9 | -33.8 | 0 | 0 | 0 | 110.5 | S209 | P207-S209 PolarHBondContact O-N 2.73Š|
| 208 | S | 68.4 | Low | 67.3 | Low | 125 Ų | 125 | 138.4 Ų | 138.4 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69 | 127.2 | 177.1 | -170.5 | 0 | 0 | 0 | 0 | 110.6 | A210 | S208-A210 PolarHBondContact O-N 3.17Š|
| 209 | S | 70.7 | Confident | 68.2 | Low | 102 Ų | 102 | 140 Ų | 140 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | | | trans | -82.8 | 112.6 | -176.6 | -174.8 | 0 | 0 | 0 | 0 | 111.4 | P207 K211 | P207-S209 PolarHBondContact O-N 2.73Å; S209-K211 PolarHBondContact O-N 3.22Å |
| 210 | A | 64.6 | Low | 69.2 | Low | 92 Ų | 92 | 139.5 Ų | 139.5 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | | | trans | -69.9 | 114.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | S208 S212 | S208-A210 PolarHBondContact O-N 3.17Å; A210-S212 VanDerWaalsContact C-N 3.32Å; A210-S212 PolarHBondContact O-N 3.42Å |
| 211 | K | 61.7 | Low | 70.1 | Confident | 212 Ų | 212 | 142.1 Ų | 142.1 | 92% | 0.922 | 80% | 0.803 | S | S | * | * | | | trans | -78.6 | 74.9 | -178.4 | -66.1 | 177.2 | -177.4 | 173.1 | 0 | 111.8 | S209 | S209-K211 PolarHBondContact O-N 3.22Š|
| 212 | S | 64.8 | Low | 71.1 | Confident | 109 Ų | 109 | 136.7 Ų | 136.7 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | | | trans | -119 | 118.3 | 164.9 | -170.9 | 0 | 0 | 0 | 0 | 110 | A210 | A210-S212 VanDerWaalsContact C-N 3.32Å; A210-S212 PolarHBondContact O-N 3.42Å |
| 213 | R | 65 | Low | 71.9 | Confident | 226 Ų | 226 | 135.9 Ų | 135.9 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | | | trans | -91.5 | 108 | 177.1 | 176.5 | 178.8 | -77.2 | 173.7 | -5.1 | 108.7 | Q215 | R213-Q215 PolarHBondContact O-N 3.33Š|
| 214 | L | 62.8 | Low | 72.5 | Confident | 168 Ų | 168 | 136.8 Ų | 136.8 | 88% | 0.88 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 125.1 | 164.5 | -81 | 158.2 | 0 | 0 | 0 | 109.4 | | |
| 215 | Q | 69.4 | Low | 72.9 | Confident | 187 Ų | 187 | 138.6 Ų | 138.6 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -88 | 126.9 | 173.8 | -65.9 | -177.8 | -6.3 | 0 | 0 | 108.9 | R213 | R213-Q215 PolarHBondContact O-N 3.33Š|
| 216 | T | 68.5 | Low | 73.4 | Confident | 136 Ų | 136 | 135.7 Ų | 135.7 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 144.9 | 169.8 | 26.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 217 | A | 69.8 | Low | 73.8 | Confident | 90 Ų | 90 | 136.1 Ų | 136.1 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 136.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | V219 | A217-V219 PolarHBondContact O-N 2.97Š|
| 218 | P | 72.1 | Confident | 74 | Confident | 130 Ų | 130 | 139.1 Ų | 139.1 | 84% | 0.844 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -80.8 | -3.5 | -163.6 | 29.6 | -35.7 | 0 | 0 | 0 | 115.9 | | |
| 219 | V | 74.7 | Confident | 74.7 | Confident | 113 Ų | 113 | 137 Ų | 137 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -143 | 133.4 | -176.1 | -157.1 | 0 | 0 | 0 | 0 | 110.8 | A217 | A217-V219 PolarHBondContact O-N 2.97Š|
| 220 | P | 81.5 | Confident | 75.3 | Confident | 114 Ų | 114 | 142.2 Ų | 142.2 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 147.4 | 166.5 | 30.3 | -34.6 | 0 | 0 | 0 | 110.9 | | |
| 221 | M | 79.4 | Confident | 76 | Confident | 177 Ų | 177 | 143.5 Ų | 143.5 | 87% | 0.872 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 127.9 | 176.5 | -179.9 | 167.1 | 55.2 | 0 | 0 | 110.4 | | |
| 222 | P | 82.3 | Confident | 76.6 | Confident | 106 Ų | 106 | 135 Ų | 135 | 69% | 0.688 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 139.7 | -176 | 26.3 | -34.9 | 0 | 0 | 0 | 111.5 | | |
| 223 | D | 83.4 | Confident | 76.6 | Confident | 100 Ų | 100 | 134 Ų | 134 | 54% | 0.535 | 73% | 0.725 | S | S | . | * | P | Polyproline II helix | trans | -90.8 | 136.4 | -174.7 | -170.1 | 52.3 | 0 | 0 | 0 | 113.6 | K225 | D223-K225 VanDerWaalsContact OD1-CD 3.31Å; D223-K225 WeakPolarHBondContact OD1-CD 3.46Å; D223-K225 WeakPolarHBondContact OD1-CE 3.38Å; D223-K225 WeakPolarHBondContact OD1-CG 3.15Å; D223-K225 IonicContact OD1-NZ 3.03Å; D223-K225 PolarHBondContact OD1-NZ 2.84Å; D223-K225 WeakPolarHBondContact OD2-CG 3.47Å |
| 224 | L | 84.9 | Confident | 77.2 | Confident | 125 Ų | 125 | 127.5 Ų | 127.5 | 65% | 0.654 | 71% | 0.711 | S | S | * | * | | | trans | -129 | 15.6 | -171.4 | -63.3 | 176.4 | 0 | 0 | 0 | 113.1 | N226 V227 | L224-N226 PolarHBondContact O-N 2.84Å; L224-V227 HydrophobicContact CB-CG2 4.28Å; L224-V227 HydrophobicContact CD2-CG2 4.3Å; L224-V227 PolarHBondContact O-N 3.46Å |
| 225 | K | 83.8 | Confident | 78 | Confident | 166 Ų | 166 | 126.3 Ų | 126.3 | 72% | 0.722 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -22.5 | -171.7 | -57 | -31.8 | -180 | -124.8 | 0 | 114.4 | D223 | D223-K225 VanDerWaalsContact OD1-CD 3.31Å; D223-K225 WeakPolarHBondContact OD1-CD 3.46Å; D223-K225 WeakPolarHBondContact OD1-CE 3.38Å; D223-K225 WeakPolarHBondContact OD1-CG 3.15Å; D223-K225 IonicContact OD1-NZ 3.03Å; D223-K225 PolarHBondContact OD1-NZ 2.84Å; D223-K225 WeakPolarHBondContact OD2-CG 3.47Å |
| 226 | N | 82.2 | Confident | 78.5 | Confident | 138 Ų | 138 | 121.7 Ų | 121.7 | 74% | 0.738 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.4 | 15.9 | -169 | -64.7 | -54.2 | 0 | 0 | 0 | 114.7 | L224 K228 | L224-N226 PolarHBondContact O-N 2.84Å; N226-K228 PolarHBondContact O-N 3.21Å; N226-K228 VanDerWaalsContact O-N 3.14Å |
| 227 | V | 83.7 | Confident | 79.2 | Confident | 116 Ų | 116 | 121.9 Ų | 121.9 | 70% | 0.703 | 68% | 0.677 | S | S | * | * | | | trans | -68.1 | 108.6 | 175 | 179 | 0 | 0 | 0 | 0 | 109.9 | L224 | L224-V227 HydrophobicContact CB-CG2 4.28Å; L224-V227 HydrophobicContact CD2-CG2 4.3Å; L224-V227 PolarHBondContact O-N 3.46Å |
| 228 | K | 81.3 | Confident | 79.9 | Confident | 190 Ų | 190 | 127.3 Ų | 127.3 | 83% | 0.826 | 68% | 0.684 | S | S | * | * | | | trans | -97.4 | 154.2 | 177.7 | -72.8 | -177.1 | -71.9 | -175.6 | 0 | 111.9 | N226 | N226-K228 PolarHBondContact O-N 3.21Å; N226-K228 VanDerWaalsContact O-N 3.14Å |
| 229 | S | 82.3 | Confident | 80.5 | Confident | 79 Ų | 79 | 127 Ų | 127 | 55% | 0.552 | 67% | 0.671 | S | S | * | * | | | trans | -67.6 | 132.2 | -178.1 | 52.4 | 0 | 0 | 0 | 0 | 112.9 | I231 | S229-I231 PolarHBondContact O-N 3.29Š|
| 230 | K | 83 | Confident | 80.9 | Confident | 212 Ų | 212 | 129.4 Ų | 129.4 | 92% | 0.922 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -75.1 | 6.1 | 174.6 | 67.8 | 176.1 | -179.9 | 177.6 | 0 | 115.4 | | |
| 231 | I | 78.9 | Confident | 81 | Confident | 120 Ų | 120 | 128 Ų | 128 | 62% | 0.615 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -113.7 | 125.4 | -179.3 | -66.6 | 173.9 | 0 | 0 | 0 | 107.5 | S229 S233 | S229-I231 PolarHBondContact O-N 3.29Å; I231-S233 PolarHBondContact O-N 2.93Å |
| 232 | G | 74.9 | Confident | 81.3 | Confident | 32 Ų | 32 | 123.4 Ų | 123.4 | 33% | 0.33 | 66% | 0.664 | S | S | . | * | G | 310 helix | trans | -67 | 6.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | T234 E235 | G232-T234 PolarHBondContact O-N 3.36Å; G232-E235 WeakPolarHBondContact O-CB 3.33Å; G232-E235 WeakPolarHBondContact O-CG 3.31Å; G232-E235 PolarHBondContact O-N 3.48Å; G232-E235 VanDerWaalsContact O-OE1 3.11Å |
| 233 | S | 64.1 | Low | 81.5 | Confident | 89 Ų | 89 | 122 Ų | 122 | 62% | 0.622 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -59.5 | -9.4 | -176.2 | -167.2 | 0 | 0 | 0 | 0 | 114.9 | I231 | I231-S233 PolarHBondContact O-N 2.93Š|
| 234 | T | 77.5 | Confident | 81.5 | Confident | 89 Ų | 89 | 120.7 Ų | 120.7 | 55% | 0.546 | 68% | 0.678 | S | S | . | * | G | 310 helix | trans | -84.3 | -17.6 | 171.5 | 50.2 | 0 | 0 | 0 | 0 | 114.2 | G232 L237 | G232-T234 PolarHBondContact O-N 3.36Å; T234-L237 WeakPolarHBondContact O-CD1 3.48Å; T234-L237 VanDerWaalsContact O-CG 3.31Å; T234-L237 WeakPolarHBondContact O-CG 3.1Å |
| 235 | E | 80.1 | Confident | 81.5 | Confident | 144 Ų | 144 | 125 Ų | 125 | 67% | 0.673 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -74.8 | -33.6 | 179.8 | 80 | -147.8 | 148.9 | 0 | 0 | 111.9 | G232 L237 | G232-E235 WeakPolarHBondContact O-CB 3.33Å; G232-E235 WeakPolarHBondContact O-CG 3.31Å; G232-E235 PolarHBondContact O-N 3.48Å; G232-E235 VanDerWaalsContact O-OE1 3.11Å; E235-L237 VanDerWaalsContact C-N 3.3Å; E235-L237 PolarHBondContact O-N 3.04Å |
| 236 | N | 81.3 | Confident | 81.4 | Confident | 90 Ų | 90 | 123.6 Ų | 123.6 | 48% | 0.481 | 70% | 0.697 | S | S | . | * | G | 310 helix | trans | -84.5 | 5.5 | -177.1 | -73.9 | -70.2 | 0 | 0 | 0 | 113.9 | K238 H239 | N236-K238 PolarHBondContact O-N 2.83Å; N236-H239 HydrophobicContact CB-CB 4.3Å; N236-H239 WeakPolarHBondContact O-CB 3.39Å; N236-H239 PolarHBondContact O-N 3.06Å |
| 237 | L | 81.6 | Confident | 81.5 | Confident | 140 Ų | 140 | 124.9 Ų | 124.9 | 73% | 0.733 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -61 | -15.4 | -179.1 | -69.2 | 174 | 0 | 0 | 0 | 114.7 | T234 E235 | T234-L237 WeakPolarHBondContact O-CD1 3.48Å; T234-L237 VanDerWaalsContact O-CG 3.31Å; T234-L237 WeakPolarHBondContact O-CG 3.1Å; E235-L237 VanDerWaalsContact C-N 3.3Å; E235-L237 PolarHBondContact O-N 3.04Å |
| 238 | K | 85.2 | Confident | 81.5 | Confident | 203 Ų | 203 | 126 Ų | 126 | 88% | 0.883 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -109.1 | 0.5 | 174 | -62.4 | -177.7 | -178.6 | 179 | 0 | 113.3 | N236 Q240 | N236-K238 PolarHBondContact O-N 2.83Å; K238-Q240 PolarHBondContact O-N 2.9Å |
| 239 | H | 84.3 | Confident | 81.7 | Confident | 125 Ų | 125 | 122.7 Ų | 122.7 | 58% | 0.579 | 69% | 0.689 | S | S | * | * | | | trans | -80.8 | 85.9 | 178.3 | -173.2 | 86.5 | 0 | 0 | 0 | 110.1 | N236 P241 | N236-H239 HydrophobicContact CB-CB 4.3Å; N236-H239 WeakPolarHBondContact O-CB 3.39Å; N236-H239 PolarHBondContact O-N 3.06Å; H239-P241 WeakPolarHBondContact O-CD 3.42Å |
| 240 | Q | 83.6 | Confident | 81.7 | Confident | 163 Ų | 163 | 125.6 Ų | 125.6 | 76% | 0.762 | 70% | 0.699 | S | S | * | * | | | trans | -73.1 | 118.4 | 158.5 | -175.5 | 62.9 | 45.2 | 0 | 0 | 107.5 | K238 G242 | K238-Q240 PolarHBondContact O-N 2.9Å; Q240-G242 PolarHBondContact O-N 3.02Å |
| 241 | P | 83.5 | Confident | 81.8 | Confident | 84 Ų | 84 | 124.3 Ų | 124.3 | 55% | 0.545 | 69% | 0.693 | S | S | . | * | | | trans | -59.5 | 129.6 | 178.1 | 22.7 | -33.7 | 0 | 0 | 0 | 110.6 | H239 G243 | H239-P241 WeakPolarHBondContact O-CD 3.42Å; P241-G243 PolarHBondContact O-N 3.11Å |
| 242 | G | 85.7 | Confident | 82.1 | Confident | 80 Ų | 80 | 128.2 Ų | 128.2 | 83% | 0.825 | 71% | 0.706 | S | S | * | * | | | trans | -68.5 | 111.8 | -174 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q240 | Q240-G242 PolarHBondContact O-N 3.02Š|
| 243 | G | 85.3 | Confident | 82.5 | Confident | 77 Ų | 77 | 133.8 Ų | 133.8 | 79% | 0.794 | 73% | 0.727 | S | S | * | * | | | trans | -75.6 | 124.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P241 | P241-G243 PolarHBondContact O-N 3.11Š|
| 244 | G | 84.9 | Confident | 83.5 | Confident | 72 Ų | 72 | 134.9 Ų | 134.9 | 74% | 0.742 | 73% | 0.726 | S | S | * | * | | | trans | -81.7 | 136.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 245 | K | 83.4 | Confident | 83.9 | Confident | 215 Ų | 215 | 136.4 Ų | 136.4 | 94% | 0.935 | 73% | 0.73 | S | S | * | * | | | trans | -97.2 | 93.5 | 169.8 | -70.5 | -175 | 179.4 | -180 | 0 | 110.1 | | |
| 246 | V | 83.3 | Confident | 84.3 | Confident | 137 Ų | 137 | 134.5 Ų | 134.5 | 83% | 0.83 | 73% | 0.733 | S | S | * | * | | | trans | -89.4 | 115.8 | 172 | -178.4 | 0 | 0 | 0 | 0 | 109 | | |
| 247 | Q | 84.5 | Confident | 84.6 | Confident | 165 Ų | 165 | 137.1 Ų | 137.1 | 77% | 0.771 | 75% | 0.747 | S | S | * | * | | | trans | -106.8 | 113.2 | 172.7 | -175 | 174.8 | 5 | 0 | 0 | 109.5 | I249 | Q247-I249 HydrophobicContact CG-CG1 4.29Å; Q247-I249 PolarHBondContact O-N 2.87Å |
| 248 | I | 83.8 | Confident | 84.8 | Confident | 139 Ų | 139 | 135.9 Ų | 135.9 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | | | trans | -77.5 | 114.4 | 172 | -59.1 | 175.4 | 0 | 0 | 0 | 107.6 | N250 | I248-N250 PolarHBondContact O-N 3.48Š|
| 249 | I | 84.2 | Confident | 84.8 | Confident | 121 Ų | 121 | 134.2 Ų | 134.2 | 62% | 0.621 | 74% | 0.74 | S | S | * | * | | | trans | -95.8 | 95.3 | -177.8 | -55.8 | 170.4 | 0 | 0 | 0 | 109.1 | Q247 K251 | Q247-I249 HydrophobicContact CG-CG1 4.29Å; Q247-I249 PolarHBondContact O-N 2.87Å; I249-K251 VanDerWaalsContact C-N 3.28Å; I249-K251 HydrophobicContact CG2-CG 4.07Å; I249-K251 PolarHBondContact O-N 3.45Å |
| 250 | N | 82.9 | Confident | 84.9 | Confident | 141 Ų | 141 | 132.6 Ų | 132.6 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | | | trans | -70.7 | 77.2 | 175.4 | -69.7 | 74.8 | 0 | 0 | 0 | 112.3 | I248 K252 | I248-N250 PolarHBondContact O-N 3.48Å; N250-K252 PolarHBondContact O-N 3.42Å |
| 251 | K | 85.7 | Confident | 85 | Confident | 184 Ų | 184 | 135.5 Ų | 135.5 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | | | trans | -71.1 | 106.5 | 164 | -67.4 | -172.2 | 178.4 | -178.8 | 0 | 108.9 | I249 | I249-K251 VanDerWaalsContact C-N 3.28Å; I249-K251 HydrophobicContact CG2-CG 4.07Å; I249-K251 PolarHBondContact O-N 3.45Å |
| 252 | K | 83.8 | Confident | 85 | Confident | 202 Ų | 202 | 135.5 Ų | 135.5 | 88% | 0.878 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 131.3 | 168.9 | -65 | -179.2 | 179.4 | -179.9 | 0 | 108.5 | N250 | N250-K252 PolarHBondContact O-N 3.42Š|
| 253 | L | 83.9 | Confident | 84.8 | Confident | 149 Ų | 149 | 133.4 Ų | 133.4 | 78% | 0.78 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 135 | 168.1 | -62.8 | 176 | 0 | 0 | 0 | 108.6 | L255 | L253-L255 HydrophobicContact CB-CD2 4.44Å; L253-L255 HydrophobicContact CB-CG 4.45Å |
| 254 | D | 85.7 | Confident | 84.6 | Confident | 113 Ų | 113 | 134.4 Ų | 134.4 | 60% | 0.604 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 120 | 167.5 | -178.9 | 21.2 | 0 | 0 | 0 | 109.3 | S256 | D254-S256 WeakPolarHBondContact OD1-CB 3.48Å; D254-S256 PolarHBondContact OD1-N 3.27Å; D254-S256 PolarHBondContact OD1-OG 2.94Å |
| 255 | L | 85.7 | Confident | 84.5 | Confident | 120 Ų | 120 | 138.6 Ų | 138.6 | 63% | 0.628 | 73% | 0.725 | S | S | * | * | | | trans | -116.9 | 9.7 | 178.6 | -59.5 | 176.3 | 0 | 0 | 0 | 111.7 | L253 N257 V258 | L253-L255 HydrophobicContact CB-CD2 4.44Å; L253-L255 HydrophobicContact CB-CG 4.45Å; L255-N257 PolarHBondContact O-N 3.21Å; L255-N257 VanDerWaalsContact O-N 3.12Å; L255-V258 HydrophobicContact CB-CG2 4.26Å; L255-V258 HydrophobicContact CD2-CG2 4.3Å; L255-V258 WeakPolarHBondContact O-CB 3.22Å; L255-V258 WeakPolarHBondContact O-CG2 3.26Å; L255-V258 PolarHBondContact O-N 2.83Å; L255-V258 VanDerWaalsContact O-N 3.12Å |
| 256 | S | 88.1 | Confident | 84.6 | Confident | 104 Ų | 104 | 135 Ų | 135 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -26.5 | -173.4 | -52.2 | 0 | 0 | 0 | 0 | 113.4 | D254 | D254-S256 WeakPolarHBondContact OD1-CB 3.48Å; D254-S256 PolarHBondContact OD1-N 3.27Å; D254-S256 PolarHBondContact OD1-OG 2.94Å |
| 257 | N | 86.9 | Confident | 84.5 | Confident | 145 Ų | 145 | 133.6 Ų | 133.6 | 78% | 0.775 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | 7 | -177.6 | -58.7 | -62.1 | 0 | 0 | 0 | 113.9 | L255 Q259 | L255-N257 PolarHBondContact O-N 3.21Å; L255-N257 VanDerWaalsContact O-N 3.12Å; N257-Q259 PolarHBondContact O-N 3.3Å |
| 258 | V | 86.6 | Confident | 84.6 | Confident | 114 Ų | 114 | 131.8 Ų | 131.8 | 69% | 0.691 | 70% | 0.698 | S | S | * | * | | | trans | -86.3 | 88.4 | -176.4 | -176.4 | 0 | 0 | 0 | 0 | 111.1 | L255 | L255-V258 HydrophobicContact CB-CG2 4.26Å; L255-V258 HydrophobicContact CD2-CG2 4.3Å; L255-V258 WeakPolarHBondContact O-CB 3.22Å; L255-V258 WeakPolarHBondContact O-CG2 3.26Å; L255-V258 PolarHBondContact O-N 2.83Å; L255-V258 VanDerWaalsContact O-N 3.12Å |
| 259 | Q | 85.3 | Confident | 84.9 | Confident | 168 Ų | 168 | 134.9 Ų | 134.9 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | | | trans | -86.5 | 148.9 | 172.4 | -175.4 | 171.2 | -20.3 | 0 | 0 | 112.2 | N257 | N257-Q259 PolarHBondContact O-N 3.3Š|
| 260 | S | 86.3 | Confident | 85.1 | Confident | 92 Ų | 92 | 134.3 Ų | 134.3 | 64% | 0.643 | 70% | 0.701 | S | S | * | * | | | trans | -68.9 | 128.2 | 175.2 | 53.5 | 0 | 0 | 0 | 0 | 112.2 | C262 | S260-C262 PolarHBondContact O-N 2.56Š|
| 261 | K | 86.1 | Confident | 85.1 | Confident | 223 Ų | 223 | 133.6 Ų | 133.6 | 97% | 0.97 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -74 | 3.8 | 174.7 | -62.6 | -173.8 | 178.3 | -176.8 | 0 | 114.6 | | |
| 262 | C | 81.9 | Confident | 85.1 | Confident | 85 Ų | 85 | 129.3 Ų | 129.3 | 57% | 0.574 | 69% | 0.692 | S | S | * | * | | | trans | -92 | 104.8 | 176.5 | -175.3 | 0 | 0 | 0 | 0 | 109.4 | S260 S264 | S260-C262 PolarHBondContact O-N 2.56Å; C262-S264 PolarHBondContact O-N 3.02Å |
| 263 | G | 82 | Confident | 85.2 | Confident | 36 Ų | 36 | 123.6 Ų | 123.6 | 37% | 0.371 | 69% | 0.691 | S | S | . | * | | | trans | -71.8 | 28.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | K265 D266 | G263-K265 PolarHBondContact O-N 3.19Å; G263-D266 VanDerWaalsContact CA-CG 3.44Å; G263-D266 WeakPolarHBondContact CA-OD1 3.34Å; G263-D266 WeakPolarHBondContact CA-OD2 3.48Å; G263-D266 WeakPolarHBondContact O-CB 3.47Å; G263-D266 PolarHBondContact O-N 2.97Å |
| 264 | S | 81.7 | Confident | 85.2 | Confident | 97 Ų | 97 | 119.6 Ų | 119.6 | 68% | 0.678 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -9 | -176.7 | 60.4 | 0 | 0 | 0 | 0 | 114.2 | C262 | C262-S264 PolarHBondContact O-N 3.02Š|
| 265 | K | 82.6 | Confident | 85 | Confident | 161 Ų | 161 | 117.9 Ų | 117.9 | 70% | 0.7 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | -8.7 | 176 | -62.8 | -165.9 | 175.9 | 179.9 | 0 | 114 | G263 N267 I268 | G263-K265 PolarHBondContact O-N 3.19Å; K265-N267 VanDerWaalsContact C-N 3.28Å; K265-N267 PolarHBondContact O-N 3.14Å; K265-I268 HydrophobicContact CB-CD1 3.7Å; K265-I268 HydrophobicContact CB-CG1 4.48Å; K265-I268 HydrophobicContact CD-CD1 4.48Å; K265-I268 HydrophobicContact CG-CD1 3.96Å; K265-I268 WeakPolarHBondContact O-CD1 3.3Å; K265-I268 WeakPolarHBondContact O-CG1 3.34Å |
| 266 | D | 85.9 | Confident | 84.8 | Confident | 139 Ų | 139 | 118.2 Ų | 118.2 | 74% | 0.743 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -32.8 | -168.6 | -56.4 | -2.2 | 0 | 0 | 0 | 111 | G263 | G263-D266 VanDerWaalsContact CA-CG 3.44Å; G263-D266 WeakPolarHBondContact CA-OD1 3.34Å; G263-D266 WeakPolarHBondContact CA-OD2 3.48Å; G263-D266 WeakPolarHBondContact O-CB 3.47Å; G263-D266 PolarHBondContact O-N 2.97Å |
| 267 | N | 82.1 | Confident | 84.6 | Confident | 108 Ų | 108 | 119.5 Ų | 119.5 | 58% | 0.578 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | 19.6 | -174.6 | -148.7 | 26.8 | 0 | 0 | 0 | 114.8 | K265 K269 H270 | K265-N267 VanDerWaalsContact C-N 3.28Å; K265-N267 PolarHBondContact O-N 3.14Å; N267-K269 PolarHBondContact O-N 3.5Å; N267-H270 VanDerWaalsContact CG-CB 3.43Å; N267-H270 WeakPolarHBondContact ND2-CB 3.41Å; N267-H270 WeakPolarHBondContact O-CB 3.39Å; N267-H270 PolarHBondContact O-N 3.35Å; N267-H270 WeakPolarHBondContact OD1-CB 3.29Å |
| 268 | I | 85.8 | Confident | 84.5 | Confident | 127 Ų | 127 | 120.8 Ų | 120.8 | 65% | 0.651 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | -26.4 | -177.6 | -71.7 | 168.6 | 0 | 0 | 0 | 113.4 | K265 | K265-I268 HydrophobicContact CB-CD1 3.7Å; K265-I268 HydrophobicContact CB-CG1 4.48Å; K265-I268 HydrophobicContact CD-CD1 4.48Å; K265-I268 HydrophobicContact CG-CD1 3.96Å; K265-I268 WeakPolarHBondContact O-CD1 3.3Å; K265-I268 WeakPolarHBondContact O-CG1 3.34Å |
| 269 | K | 88.9 | Confident | 84.5 | Confident | 203 Ų | 203 | 122.9 Ų | 122.9 | 88% | 0.883 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -8.7 | -178.5 | -62.7 | -179.2 | -178.8 | 177.4 | 0 | 114.2 | N267 V271 | N267-K269 PolarHBondContact O-N 3.5Å; K269-V271 PolarHBondContact O-N 3.18Å |
| 270 | H | 88.9 | Confident | 84.6 | Confident | 109 Ų | 109 | 120 Ų | 120 | 51% | 0.505 | 71% | 0.711 | S | S | . | * | | | trans | -81.9 | 102 | -178.2 | 168.7 | -84.2 | 0 | 0 | 0 | 110.5 | N267 P272 | N267-H270 VanDerWaalsContact CG-CB 3.43Å; N267-H270 WeakPolarHBondContact ND2-CB 3.41Å; N267-H270 WeakPolarHBondContact O-CB 3.39Å; N267-H270 PolarHBondContact O-N 3.35Å; N267-H270 WeakPolarHBondContact OD1-CB 3.29Å; H270-P272 WeakPolarHBondContact O-CD 3.49Å |
| 271 | V | 83.8 | Confident | 84.6 | Confident | 126 Ų | 126 | 124.7 Ų | 124.7 | 76% | 0.764 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 119.4 | 159.3 | -178.6 | 0 | 0 | 0 | 0 | 106.9 | K269 G273 | K269-V271 PolarHBondContact O-N 3.18Å; V271-G273 PolarHBondContact O-N 3.06Å |
| 272 | P | 85.4 | Confident | 84.8 | Confident | 94 Ų | 94 | 122.1 Ų | 122.1 | 61% | 0.61 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 131.8 | 177.5 | 27.3 | -33.6 | 0 | 0 | 0 | 110.1 | H270 G274 | H270-P272 WeakPolarHBondContact O-CD 3.49Å; P272-G274 PolarHBondContact O-N 3.26Å |
| 273 | G | 86.2 | Confident | 85.1 | Confident | 82 Ų | 82 | 122.7 Ų | 122.7 | 85% | 0.845 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 117.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V271 | V271-G273 PolarHBondContact O-N 3.06Š|
| 274 | G | 83.9 | Confident | 85.3 | Confident | 66 Ų | 66 | 127 Ų | 127 | 68% | 0.68 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 143.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | P272 S276 | P272-G274 PolarHBondContact O-N 3.26Å; G274-S276 PolarHBondContact O-N 2.97Å; G274-S276 VanDerWaalsContact O-N 3.15Å |
| 275 | G | 82 | Confident | 85.5 | Confident | 76 Ų | 76 | 128 Ų | 128 | 78% | 0.784 | 72% | 0.724 | S | S | * | * | | | trans | -76.5 | 96.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V277 | G275-V277 PolarHBondContact O-N 3.49Š|
| 276 | S | 80.2 | Confident | 85.6 | Confident | 128 Ų | 128 | 126.1 Ų | 126.1 | 90% | 0.895 | 72% | 0.721 | S | S | * | * | | | trans | -69.7 | 92.5 | 173.8 | -60.9 | 0 | 0 | 0 | 0 | 111.5 | G274 | G274-S276 PolarHBondContact O-N 2.97Å; G274-S276 VanDerWaalsContact O-N 3.15Å |
| 277 | V | 85.1 | Confident | 85.5 | Confident | 130 Ų | 130 | 123.4 Ų | 123.4 | 79% | 0.788 | 71% | 0.713 | S | S | * | * | | | trans | -99.1 | 118.4 | 173.1 | -177.9 | 0 | 0 | 0 | 0 | 109.6 | G275 | G275-V277 PolarHBondContact O-N 3.49Š|
| 278 | Q | 84.5 | Confident | 85.4 | Confident | 173 Ų | 173 | 127.3 Ų | 127.3 | 81% | 0.808 | 72% | 0.724 | S | S | * | * | | | trans | -84.4 | 127.9 | 175.4 | -168.9 | 178.9 | 37.1 | 0 | 0 | 110.5 | V280 | Q278-V280 PolarHBondContact O-N 2.82Š|
| 279 | I | 85.3 | Confident | 85.2 | Confident | 157 Ų | 157 | 126.7 Ų | 126.7 | 81% | 0.805 | 73% | 0.727 | S | S | * | * | | | trans | -81.8 | 113.2 | 172.3 | -59.6 | 177.2 | 0 | 0 | 0 | 108.4 | Y281 | I279-Y281 PolarHBondContact O-N 3Å; I279-Y281 VanDerWaalsContact O-N 3.13Å |
| 280 | V | 87.8 | Confident | 84.6 | Confident | 107 Ų | 107 | 123 Ų | 123 | 65% | 0.648 | 72% | 0.721 | S | S | * | * | | | trans | -79.8 | 94.2 | 179.2 | -179.8 | 0 | 0 | 0 | 0 | 109.9 | Q278 K282 | Q278-V280 PolarHBondContact O-N 2.82Å; V280-K282 HydrophobicContact CG1-CG 4.23Å |
| 281 | Y | 87.6 | Confident | 83.9 | Confident | 191 Ų | 191 | 122.9 Ų | 122.9 | 75% | 0.749 | 73% | 0.733 | S | S | * | * | | | trans | -87.1 | 125.9 | 172.2 | -174.6 | -108.9 | 0 | 0 | 0 | 110.9 | I279 P283 | I279-Y281 PolarHBondContact O-N 3Å; I279-Y281 VanDerWaalsContact O-N 3.13Å; Y281-P283 HydrophobicContact CE1-CB 3.85Å; Y281-P283 HydrophobicContact CE1-CG 4.08Å |
| 282 | K | 90.3 | Very high | 83.4 | Confident | 170 Ų | 170 | 127.2 Ų | 127.2 | 74% | 0.739 | 74% | 0.741 | S | S | * | * | | | trans | -126.8 | 99.2 | 174.2 | -68.8 | -175.3 | -179.9 | -176.9 | 0 | 108.7 | V280 | V280-K282 HydrophobicContact CG1-CG 4.23Š|
| 283 | P | 86.4 | Confident | 82.6 | Confident | 96 Ų | 96 | 127.1 Ų | 127.1 | 62% | 0.623 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 145 | 176.8 | 27.6 | -32.7 | 0 | 0 | 0 | 110.4 | Y281 | Y281-P283 HydrophobicContact CE1-CB 3.85Å; Y281-P283 HydrophobicContact CE1-CG 4.08Å |
| 284 | V | 86.2 | Confident | 81.6 | Confident | 127 Ų | 127 | 126.8 Ų | 126.8 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 119.4 | 175.4 | 178.8 | 0 | 0 | 0 | 0 | 108.4 | L286 | V284-L286 HydrophobicContact CG1-CD2 4.35Å; V284-L286 HydrophobicContact CG1-CG 4.49Å |
| 285 | D | 86.1 | Confident | 80.6 | Confident | 117 Ų | 117 | 128.4 Ų | 128.4 | 63% | 0.626 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 134.5 | 173.7 | -178.4 | 30.9 | 0 | 0 | 0 | 111.4 | S287 | D285-S287 VanDerWaalsContact CG-OG 3.3Å; D285-S287 WeakPolarHBondContact OD1-CB 3.46Å; D285-S287 PolarHBondContact OD1-N 2.71Å; D285-S287 PolarHBondContact OD1-OG 3.04Å; D285-S287 WeakPolarHBondContact OD2-CB 3.16Å; D285-S287 PolarHBondContact OD2-OG 3.47Å |
| 286 | L | 86.1 | Confident | 79.7 | Confident | 122 Ų | 122 | 131 Ų | 131 | 64% | 0.639 | 74% | 0.735 | S | S | * | * | | | trans | -124 | 12.9 | 176.1 | -63 | 174.9 | 0 | 0 | 0 | 112 | V284 K288 V289 | V284-L286 HydrophobicContact CG1-CD2 4.35Å; V284-L286 HydrophobicContact CG1-CG 4.49Å; L286-K288 PolarHBondContact O-N 3.05Å; L286-V289 HydrophobicContact CB-CG2 4.37Å; L286-V289 WeakPolarHBondContact O-CB 3.36Å; L286-V289 WeakPolarHBondContact O-CG2 3.44Å; L286-V289 PolarHBondContact O-N 3.49Å |
| 287 | S | 82.5 | Confident | 79.1 | Confident | 82 Ų | 82 | 128.2 Ų | 128.2 | 57% | 0.573 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.2 | -26.2 | -174.9 | 59.8 | 0 | 0 | 0 | 0 | 116.4 | D285 | D285-S287 VanDerWaalsContact CG-OG 3.3Å; D285-S287 WeakPolarHBondContact OD1-CB 3.46Å; D285-S287 PolarHBondContact OD1-N 2.71Å; D285-S287 PolarHBondContact OD1-OG 3.04Å; D285-S287 WeakPolarHBondContact OD2-CB 3.16Å; D285-S287 PolarHBondContact OD2-OG 3.47Å |
| 288 | K | 80.1 | Confident | 78.1 | Confident | 190 Ų | 190 | 128.7 Ų | 128.7 | 83% | 0.826 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | 0.5 | -176.4 | -61.5 | 173.3 | -172.6 | 172.7 | 0 | 113.9 | L286 T290 | L286-K288 PolarHBondContact O-N 3.05Å; K288-T290 PolarHBondContact O-N 3.27Å |
| 289 | V | 81.8 | Confident | 77.2 | Confident | 115 Ų | 115 | 126.2 Ų | 126.2 | 70% | 0.697 | 72% | 0.715 | S | S | * | * | | | trans | -87.8 | 95.8 | -180 | -176.7 | 0 | 0 | 0 | 0 | 110.2 | L286 | L286-V289 HydrophobicContact CB-CG2 4.37Å; L286-V289 WeakPolarHBondContact O-CB 3.36Å; L286-V289 WeakPolarHBondContact O-CG2 3.44Å; L286-V289 PolarHBondContact O-N 3.49Å |
| 290 | T | 76.1 | Confident | 76.6 | Confident | 125 Ų | 125 | 126.7 Ų | 126.7 | 77% | 0.767 | 71% | 0.713 | S | S | * | * | | | trans | -86.7 | 137.8 | 169.8 | 54.4 | 0 | 0 | 0 | 0 | 111.1 | K288 | K288-T290 PolarHBondContact O-N 3.27Š|
| 291 | S | 74.9 | Confident | 75.9 | Confident | 107 Ų | 107 | 128.2 Ų | 128.2 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | | | trans | -80 | 139.9 | 175.5 | 57.8 | 0 | 0 | 0 | 0 | 110.9 | C293 | S291-C293 VanDerWaalsContact C-N 3.29Š|
| 292 | K | 72.4 | Confident | 75.3 | Confident | 216 Ų | 216 | 128.2 Ų | 128.2 | 94% | 0.939 | 72% | 0.717 | S | S | * | * | | | trans | -92.4 | 18.2 | 174.6 | -62.3 | -173.5 | 179.4 | -178.2 | 0 | 113 | | |
| 293 | C | 70 | Confident | 74.3 | Confident | 93 Ų | 93 | 125 Ų | 125 | 63% | 0.628 | 71% | 0.713 | S | S | * | * | | | trans | -86.1 | 114.2 | -175.1 | -169 | 0 | 0 | 0 | 0 | 110.5 | S291 S295 | S291-C293 VanDerWaalsContact C-N 3.29Å; C293-S295 PolarHBondContact O-N 3.03Å |
| 294 | G | 64.2 | Low | 73.5 | Confident | 75 Ų | 75 | 124.6 Ų | 124.6 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | | | trans | -76 | 45.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L296 | G294-L296 PolarHBondContact O-N 2.85Š|
| 295 | S | 63.5 | Low | 72.7 | Confident | 99 Ų | 99 | 122.4 Ų | 122.4 | 69% | 0.692 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | 8 | -171.1 | 62.9 | 0 | 0 | 0 | 0 | 115.7 | C293 | C293-S295 PolarHBondContact O-N 3.03Š|
| 296 | L | 63.7 | Low | 71.6 | Confident | 132 Ų | 132 | 120.4 Ų | 120.4 | 69% | 0.691 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | 8.6 | -178.8 | -62.7 | 178 | 0 | 0 | 0 | 114 | G294 N298 I299 | G294-L296 PolarHBondContact O-N 2.85Å; L296-N298 PolarHBondContact O-N 3.46Å; L296-N298 VanDerWaalsContact O-N 3.12Å; L296-I299 HydrophobicContact CB-CG2 4.27Å; L296-I299 HydrophobicContact CD2-CG2 4.25Å; L296-I299 WeakPolarHBondContact O-CG2 3.41Å |
| 297 | G | 67.2 | Low | 70.5 | Confident | 68 Ų | 68 | 124.2 Ų | 124.2 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -22.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 298 | N | 62.8 | Low | 69.8 | Low | 141 Ų | 141 | 125.9 Ų | 125.9 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | 21.5 | -173.1 | -82 | -8.8 | 0 | 0 | 0 | 115 | L296 H300 H301 | L296-N298 PolarHBondContact O-N 3.46Å; L296-N298 VanDerWaalsContact O-N 3.12Å; N298-H300 PolarHBondContact O-N 2.88Å; N298-H301 PolarHBondContact O-N 3.24Å; N298-H301 VanDerWaalsContact O-N 3.08Å |
| 299 | I | 66.9 | Low | 69.4 | Low | 121 Ų | 121 | 124 Ų | 124 | 62% | 0.621 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -10.8 | -178.9 | 53.9 | 170.4 | 0 | 0 | 0 | 115.9 | L296 | L296-I299 HydrophobicContact CB-CG2 4.27Å; L296-I299 HydrophobicContact CD2-CG2 4.25Å; L296-I299 WeakPolarHBondContact O-CG2 3.41Å |
| 300 | H | 71.9 | Confident | 68.6 | Low | 166 Ų | 166 | 124.5 Ų | 124.5 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | 5.2 | 179.1 | -58.4 | 125.8 | 0 | 0 | 0 | 114.6 | N298 K302 | N298-H300 PolarHBondContact O-N 2.88Å; H300-K302 PolarHBondContact O-N 3.29Å; H300-K302 VanDerWaalsContact O-N 3.16Å |
| 301 | H | 73.9 | Confident | 68.2 | Low | 139 Ų | 139 | 126.2 Ų | 126.2 | 64% | 0.644 | 75% | 0.752 | S | S | * | * | | | trans | -67.3 | 113.3 | 177.2 | 179.2 | -111 | 0 | 0 | 0 | 111.8 | N298 P303 | N298-H301 PolarHBondContact O-N 3.24Å; N298-H301 VanDerWaalsContact O-N 3.08Å; H301-P303 WeakPolarHBondContact O-CD 3.19Å |
| 302 | K | 73.9 | Confident | 67.7 | Low | 191 Ų | 191 | 125.3 Ų | 125.3 | 83% | 0.83 | 75% | 0.746 | S | S | * | * | | | trans | -94.8 | 104.9 | 167.6 | -68.1 | -70.4 | -173.4 | 177.5 | 0 | 108.5 | H300 G304 | H300-K302 PolarHBondContact O-N 3.29Å; H300-K302 VanDerWaalsContact O-N 3.16Å; K302-G304 PolarHBondContact O-N 2.75Å |
| 303 | P | 70 | Confident | 67.9 | Low | 103 Ų | 103 | 122.6 Ų | 122.6 | 67% | 0.669 | 74% | 0.736 | S | S | * | * | | | trans | -65.9 | 121.7 | 177 | 26.1 | -33.1 | 0 | 0 | 0 | 110.4 | H301 | H301-P303 WeakPolarHBondContact O-CD 3.19Š|
| 304 | G | 68.7 | Low | 67.7 | Low | 88 Ų | 88 | 126.4 Ų | 126.4 | 91% | 0.907 | 74% | 0.742 | S | S | * | * | | | trans | -88.9 | 108.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | K302 | K302-G304 PolarHBondContact O-N 2.75Š|
| 305 | G | 70.3 | Confident | 68 | Low | 81 Ų | 81 | 127.7 Ų | 127.7 | 84% | 0.835 | 73% | 0.731 | S | S | * | * | | | trans | 169.2 | 161.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 306 | G | 63.6 | Low | 68.3 | Low | 75 Ų | 75 | 128.1 Ų | 128.1 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | | | trans | 116.1 | 4.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | V308 | G306-V308 PolarHBondContact O-N 3.14Š|
| 307 | Q | 63.2 | Low | 68.7 | Low | 202 Ų | 202 | 127.4 Ų | 127.4 | 94% | 0.944 | 72% | 0.717 | S | S | * | * | | | trans | -79.5 | 46.8 | 178 | -158.4 | 169.9 | 7.9 | 0 | 0 | 113.1 | | |
| 308 | V | 66.8 | Low | 68.8 | Low | 117 Ų | 117 | 132 Ų | 132 | 71% | 0.709 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -134.5 | 118.9 | 175.7 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | G306 V310 | G306-V308 PolarHBondContact O-N 3.14Å; V308-V310 PolarHBondContact O-N 3.45Å; V308-V310 VanDerWaalsContact O-N 3.08Å |
| 309 | E | 71.3 | Confident | 69.1 | Low | 150 Ų | 150 | 132.9 Ų | 132.9 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | | | trans | -75.1 | 94.7 | -179.9 | -168.5 | -165.9 | 172 | 0 | 0 | 110.6 | K311 | E309-K311 HydrophobicContact CG-CG 4.19Å; E309-K311 PolarHBondContact O-N 3.02Å; E309-K311 WeakPolarHBondContact OE1-CE 3.46Å; E309-K311 IonicContact OE1-NZ 3.16Å; E309-K311 WeakPolarHBondContact OE2-CE 3.17Å; E309-K311 IonicContact OE2-NZ 3.99Å; E309-K311 PolarHBondContact OE2-NZ 3.33Å; E309-K311 VanDerWaalsContact OE2-NZ 3.16Å |
| 310 | V | 66.6 | Low | 69.4 | Low | 126 Ų | 126 | 137.6 Ų | 137.6 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | | | trans | -75.7 | 90 | 176.3 | -176.4 | 0 | 0 | 0 | 0 | 109.9 | V308 S312 | V308-V310 PolarHBondContact O-N 3.45Å; V308-V310 VanDerWaalsContact O-N 3.08Å; V310-S312 PolarHBondContact O-N 3.4Å |
| 311 | K | 67.7 | Low | 69.7 | Low | 161 Ų | 161 | 134.8 Ų | 134.8 | 70% | 0.7 | 73% | 0.726 | S | S | * | * | | | trans | -68.4 | 96.1 | 178 | -67.6 | -177.7 | 178.2 | 176.6 | 0 | 111.2 | E309 E313 | E309-K311 HydrophobicContact CG-CG 4.19Å; E309-K311 PolarHBondContact O-N 3.02Å; E309-K311 WeakPolarHBondContact OE1-CE 3.46Å; E309-K311 IonicContact OE1-NZ 3.16Å; E309-K311 WeakPolarHBondContact OE2-CE 3.17Å; E309-K311 IonicContact OE2-NZ 3.99Å; E309-K311 PolarHBondContact OE2-NZ 3.33Å; E309-K311 VanDerWaalsContact OE2-NZ 3.16Å; K311-E313 PolarHBondContact O-N 3.02Å |
| 312 | S | 64.4 | Low | 69.9 | Low | 88 Ų | 88 | 136.3 Ų | 136.3 | 62% | 0.615 | 73% | 0.734 | S | S | * | * | | | trans | -87.7 | 96.9 | 175.8 | 68.6 | 0 | 0 | 0 | 0 | 111.7 | V310 K314 | V310-S312 PolarHBondContact O-N 3.4Å; S312-K314 PolarHBondContact O-N 3.12Å |
| 313 | E | 75.5 | Confident | 70.2 | Confident | 159 Ų | 159 | 131.3 Ų | 131.3 | 74% | 0.743 | 72% | 0.723 | S | S | * | * | | | trans | -74.2 | 91.6 | 169.8 | -164.5 | -175.7 | 155.8 | 0 | 0 | 110.2 | K311 L315 | K311-E313 PolarHBondContact O-N 3.02Å; E313-L315 HydrophobicContact CG-CG 4.2Å; E313-L315 PolarHBondContact O-N 2.95Å; E313-L315 VanDerWaalsContact O-N 3.09Å; E313-L315 WeakPolarHBondContact OE1-CD2 3.36Å |
| 314 | K | 64.9 | Low | 71 | Confident | 173 Ų | 173 | 136.5 Ų | 136.5 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | | | trans | -81.2 | 85.1 | 177.6 | -72.2 | -174.4 | 177.7 | 179 | 0 | 110.8 | S312 D316 | S312-K314 PolarHBondContact O-N 3.12Å; K314-D316 VanDerWaalsContact C-N 3.35Å; K314-D316 PolarHBondContact O-N 3.29Å |
| 315 | L | 71.8 | Confident | 71.6 | Confident | 102 Ų | 102 | 138.6 Ų | 138.6 | 53% | 0.534 | 72% | 0.724 | S | S | . | * | | | trans | -72.2 | 84.4 | 172.2 | -70.7 | 170.8 | 0 | 0 | 0 | 111.5 | E313 F317 | E313-L315 HydrophobicContact CG-CG 4.2Å; E313-L315 PolarHBondContact O-N 2.95Å; E313-L315 VanDerWaalsContact O-N 3.09Å; E313-L315 WeakPolarHBondContact OE1-CD2 3.36Å; L315-F317 HydrophobicContact CB-CD2 3.99Å; L315-F317 HydrophobicContact CB-CE2 3.54Å; L315-F317 HydrophobicContact CB-CZ 4.07Å; L315-F317 HydrophobicContact CD1-CE2 3.98Å; L315-F317 HydrophobicContact CD1-CZ 4.14Å; L315-F317 HydrophobicContact CD2-CZ 4.24Å; L315-F317 HydrophobicContact CG-CE2 4.24Å; L315-F317 HydrophobicContact CG-CZ 4.39Å; L315-F317 WeakPolarHBondContact O-CD2 3.42Å; L315-F317 PolarHBondContact O-N 2.76Å; L315-F317 VanDerWaalsContact O-N 3.1Å |
| 316 | D | 69.4 | Low | 72.1 | Confident | 107 Ų | 107 | 136.9 Ų | 136.9 | 57% | 0.572 | 71% | 0.706 | S | S | * | * | | | trans | -78.4 | 89.5 | 175.6 | -104.1 | -52.9 | 0 | 0 | 0 | 111.9 | K314 K318 | K314-D316 VanDerWaalsContact C-N 3.35Å; K314-D316 PolarHBondContact O-N 3.29Å; D316-K318 VanDerWaalsContact C-N 3.35Å; D316-K318 PolarHBondContact O-N 3.2Å; D316-K318 IonicContact OD1-NZ 3.73Å; D316-K318 PolarHBondContact OD1-NZ 3.31Å |
| 317 | F | 72.1 | Confident | 73 | Confident | 118 Ų | 118 | 137.7 Ų | 137.7 | 52% | 0.518 | 70% | 0.7 | S | S | . | * | | | trans | -82.6 | -1.2 | -177 | -77.1 | -62.4 | 0 | 0 | 0 | 115.7 | L315 D319 R320 V321 | L315-F317 HydrophobicContact CB-CD2 3.99Å; L315-F317 HydrophobicContact CB-CE2 3.54Å; L315-F317 HydrophobicContact CB-CZ 4.07Å; L315-F317 HydrophobicContact CD1-CE2 3.98Å; L315-F317 HydrophobicContact CD1-CZ 4.14Å; L315-F317 HydrophobicContact CD2-CZ 4.24Å; L315-F317 HydrophobicContact CG-CE2 4.24Å; L315-F317 HydrophobicContact CG-CZ 4.39Å; L315-F317 WeakPolarHBondContact O-CD2 3.42Å; L315-F317 PolarHBondContact O-N 2.76Å; L315-F317 VanDerWaalsContact O-N 3.1Å; F317-D319 VanDerWaalsContact C-N 3.33Å; F317-D319 PolarHBondContact O-N 3.39Å; F317-D319 VanDerWaalsContact O-N 3.17Å; F317-R320 PolarHBondContact O-N 2.89Å; F317-V321 HydrophobicContact CB-CG2 3.84Å; F317-V321 HydrophobicContact CD1-CG2 4.5Å; F317-V321 HydrophobicContact CG-CG2 4.4Å; F317-V321 PolarHBondContact O-N 3.41Å; F317-V321 VanDerWaalsContact O-N 3.14Å |
| 318 | K | 68.4 | Low | 74 | Confident | 164 Ų | 164 | 133.4 Ų | 133.4 | 71% | 0.713 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.7 | -40.4 | -164.1 | -70.4 | 169 | -177.6 | 121.6 | 0 | 114.6 | D316 | D316-K318 VanDerWaalsContact C-N 3.35Å; D316-K318 PolarHBondContact O-N 3.2Å; D316-K318 IonicContact OD1-NZ 3.73Å; D316-K318 PolarHBondContact OD1-NZ 3.31Å |
| 319 | D | 70.9 | Confident | 74.9 | Confident | 160 Ų | 160 | 133.7 Ų | 133.7 | 86% | 0.856 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -3.4 | -176.6 | -52.4 | -35.6 | 0 | 0 | 0 | 113.5 | F317 | F317-D319 VanDerWaalsContact C-N 3.33Å; F317-D319 PolarHBondContact O-N 3.39Å; F317-D319 VanDerWaalsContact O-N 3.17Å |
| 320 | R | 71.5 | Confident | 75.4 | Confident | 219 Ų | 219 | 133.1 Ų | 133.1 | 83% | 0.826 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.2 | -16 | -175.4 | -65 | -171.5 | -178.8 | -135.1 | 1.2 | 114.3 | F317 Q322 | F317-R320 PolarHBondContact O-N 2.89Å; R320-Q322 PolarHBondContact O-N 3.16Å |
| 321 | V | 78.4 | Confident | 76.2 | Confident | 107 Ų | 107 | 133.1 Ų | 133.1 | 65% | 0.648 | 68% | 0.677 | S | S | * | * | | | trans | -89.2 | 107.3 | 177.8 | 171.5 | 0 | 0 | 0 | 0 | 110.1 | F317 | F317-V321 HydrophobicContact CB-CG2 3.84Å; F317-V321 HydrophobicContact CD1-CG2 4.5Å; F317-V321 HydrophobicContact CG-CG2 4.4Å; F317-V321 PolarHBondContact O-N 3.41Å; F317-V321 VanDerWaalsContact O-N 3.14Å |
| 322 | Q | 78 | Confident | 77.1 | Confident | 171 Ų | 171 | 131.2 Ų | 131.2 | 80% | 0.799 | 68% | 0.679 | S | S | * | * | | | trans | -102.3 | 151.7 | 172.3 | -62.8 | -176 | 1.2 | 0 | 0 | 111 | R320 | R320-Q322 PolarHBondContact O-N 3.16Š|
| 323 | S | 81.6 | Confident | 78.1 | Confident | 86 Ų | 86 | 133.6 Ų | 133.6 | 60% | 0.601 | 68% | 0.68 | S | S | * | * | | | trans | -64.8 | 135.2 | 170.4 | 178 | 0 | 0 | 0 | 0 | 110.5 | I325 | S323-I325 VanDerWaalsContact C-N 3.27Å; S323-I325 PolarHBondContact OG-N 3.19Å; S323-I325 PolarHBondContact OG-O 2.85Å |
| 324 | K | 86.9 | Confident | 78.4 | Confident | 213 Ų | 213 | 132 Ų | 132 | 93% | 0.926 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -87 | 6.2 | 169.3 | -62.3 | -171.9 | 179.2 | -175.8 | 0 | 113.3 | | |
| 325 | I | 79.7 | Confident | 79.1 | Confident | 131 Ų | 131 | 128.6 Ų | 128.6 | 67% | 0.672 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -108.9 | 120.1 | -176.8 | -56.9 | 175.3 | 0 | 0 | 0 | 109.5 | S323 S327 | S323-I325 VanDerWaalsContact C-N 3.27Å; S323-I325 PolarHBondContact OG-N 3.19Å; S323-I325 PolarHBondContact OG-O 2.85Å; I325-S327 PolarHBondContact O-N 3.37Å |
| 326 | G | 82.5 | Confident | 79.6 | Confident | 45 Ų | 45 | 126.8 Ų | 126.8 | 46% | 0.464 | 68% | 0.682 | S | S | . | * | | | trans | -67.2 | 58.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L328 D329 | G326-L328 VanDerWaalsContact C-N 3.26Å; G326-L328 PolarHBondContact O-N 3.31Å; G326-D329 WeakPolarHBondContact CA-OD1 3.41Å; G326-D329 WeakPolarHBondContact CA-OD2 3.35Å; G326-D329 VanDerWaalsContact O-CG 3.24Å |
| 327 | S | 82 | Confident | 80 | Confident | 92 Ų | 92 | 124.5 Ų | 124.5 | 64% | 0.643 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -14.2 | -173.9 | 55.2 | 0 | 0 | 0 | 0 | 114.2 | I325 | I325-S327 PolarHBondContact O-N 3.37Š|
| 328 | L | 82.6 | Confident | 79.9 | Confident | 113 Ų | 113 | 122.8 Ų | 122.8 | 59% | 0.592 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.3 | 8.1 | -175.4 | -59.9 | -178 | 0 | 0 | 0 | 113.3 | G326 N330 I331 | G326-L328 VanDerWaalsContact C-N 3.26Å; G326-L328 PolarHBondContact O-N 3.31Å; L328-N330 PolarHBondContact O-N 3.05Å; L328-I331 HydrophobicContact CB-CB 4.41Å; L328-I331 HydrophobicContact CB-CG2 4.5Å; L328-I331 HydrophobicContact CD2-CD1 4.38Å; L328-I331 WeakPolarHBondContact O-CB 3.11Å; L328-I331 WeakPolarHBondContact O-CG2 3.45Å; L328-I331 PolarHBondContact O-N 3.11Å |
| 329 | D | 86.1 | Confident | 79.9 | Confident | 122 Ų | 122 | 122 Ų | 122 | 65% | 0.652 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -25.7 | -171.7 | -58.1 | 7.3 | 0 | 0 | 0 | 112.7 | G326 | G326-D329 WeakPolarHBondContact CA-OD1 3.41Å; G326-D329 WeakPolarHBondContact CA-OD2 3.35Å; G326-D329 VanDerWaalsContact O-CG 3.24Å |
| 330 | N | 81.9 | Confident | 79.9 | Confident | 139 Ų | 139 | 123.8 Ų | 123.8 | 74% | 0.743 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | 5.9 | 176.7 | -68.3 | -70.9 | 0 | 0 | 0 | 114.5 | L328 T332 H333 | L328-N330 PolarHBondContact O-N 3.05Å; N330-T332 PolarHBondContact O-N 3.06Å; N330-T332 VanDerWaalsContact O-N 3.14Å; N330-H333 WeakPolarHBondContact O-CB 3.46Å; N330-H333 PolarHBondContact O-N 3.41Å |
| 331 | I | 84.6 | Confident | 80.1 | Confident | 126 Ų | 126 | 121.7 Ų | 121.7 | 65% | 0.646 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -24 | -174.6 | -161 | 174.4 | 0 | 0 | 0 | 113.4 | L328 H333 | L328-I331 HydrophobicContact CB-CB 4.41Å; L328-I331 HydrophobicContact CB-CG2 4.5Å; L328-I331 HydrophobicContact CD2-CD1 4.38Å; L328-I331 WeakPolarHBondContact O-CB 3.11Å; L328-I331 WeakPolarHBondContact O-CG2 3.45Å; L328-I331 PolarHBondContact O-N 3.11Å; I331-H333 VanDerWaalsContact C-N 3.32Å |
| 332 | T | 86 | Confident | 79.9 | Confident | 120 Ų | 120 | 124 Ų | 124 | 74% | 0.736 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -4.9 | 178.1 | 53.2 | 0 | 0 | 0 | 0 | 113.7 | N330 V334 | N330-T332 PolarHBondContact O-N 3.06Å; N330-T332 VanDerWaalsContact O-N 3.14Å; T332-V334 PolarHBondContact O-N 3.22Å |
| 333 | H | 85 | Confident | 79.5 | Confident | 138 Ų | 138 | 122.2 Ų | 122.2 | 64% | 0.639 | 70% | 0.699 | S | S | * | * | | | trans | -71.1 | 96 | 178 | 175.1 | -88.1 | 0 | 0 | 0 | 111.6 | N330 I331 | N330-H333 WeakPolarHBondContact O-CB 3.46Å; N330-H333 PolarHBondContact O-N 3.41Å; I331-H333 VanDerWaalsContact C-N 3.32Å |
| 334 | V | 83.3 | Confident | 78.7 | Confident | 126 Ų | 126 | 124.1 Ų | 124.1 | 76% | 0.764 | 71% | 0.707 | S | S | * | * | | | trans | -75.4 | 121.2 | 169.2 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | T332 G336 | T332-V334 PolarHBondContact O-N 3.22Å; V334-G336 PolarHBondContact O-N 3.01Å |
| 335 | P | 79.2 | Confident | 77.8 | Confident | 101 Ų | 101 | 121 Ų | 121 | 66% | 0.656 | 70% | 0.696 | S | S | * | * | | | trans | -71.3 | 102.2 | -176.1 | 28.3 | -34.8 | 0 | 0 | 0 | 111.8 | G337 | P335-G337 PolarHBondContact O-N 3.49Š|
| 336 | G | 81 | Confident | 77.2 | Confident | 64 Ų | 64 | 123.5 Ų | 123.5 | 66% | 0.66 | 70% | 0.702 | S | S | * | * | | | trans | -69.8 | 22.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116 | V334 | V334-G336 PolarHBondContact O-N 3.01Š|
| 337 | G | 79.4 | Confident | 76.4 | Confident | 59 Ų | 59 | 127.1 Ų | 127.1 | 61% | 0.608 | 71% | 0.71 | S | S | * | * | | | trans | -73.4 | 162.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | P335 N339 | P335-G337 PolarHBondContact O-N 3.49Å; G337-N339 PolarHBondContact O-N 2.82Å; G337-N339 VanDerWaalsContact O-N 3.09Å |
| 338 | G | 69.1 | Low | 75.5 | Confident | 82 Ų | 82 | 128.6 Ų | 128.6 | 85% | 0.845 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 80.6 | -28 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | K340 | G338-K340 PolarHBondContact O-N 3.18Š|
| 339 | N | 67.7 | Low | 74.6 | Confident | 149 Ų | 149 | 129.8 Ų | 129.8 | 80% | 0.797 | 72% | 0.716 | S | S | * | * | | | trans | -76.7 | -16.7 | -174.4 | -67.5 | -16.4 | 0 | 0 | 0 | 114.8 | G337 K341 | G337-N339 PolarHBondContact O-N 2.82Å; G337-N339 VanDerWaalsContact O-N 3.09Å; N339-K341 PolarHBondContact O-N 2.96Å |
| 340 | K | 71.5 | Confident | 73.5 | Confident | 197 Ų | 197 | 136.1 Ų | 136.1 | 86% | 0.857 | 73% | 0.731 | S | S | * | * | | | trans | -85.7 | 90.1 | 176 | -71.3 | -174.3 | 179.8 | 178.9 | 0 | 110.9 | G338 I342 | G338-K340 PolarHBondContact O-N 3.18Å; K340-I342 PolarHBondContact O-N 3.19Å |
| 341 | K | 75.3 | Confident | 72.6 | Confident | 175 Ų | 175 | 138.2 Ų | 138.2 | 76% | 0.761 | 74% | 0.736 | S | S | * | * | | | trans | -67.8 | 121.8 | 170.2 | -172.8 | -175.9 | -179.5 | -168.3 | 0 | 110 | N339 E343 | N339-K341 PolarHBondContact O-N 2.96Å; K341-E343 PolarHBondContact O-N 2.59Å |
| 342 | I | 74.8 | Confident | 71.4 | Confident | 154 Ų | 154 | 139.3 Ų | 139.3 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | | | trans | -76.7 | 109 | 174.9 | -59.4 | 175.5 | 0 | 0 | 0 | 108.6 | K340 T344 | K340-I342 PolarHBondContact O-N 3.19Å; I342-T344 PolarHBondContact O-N 3.12Å |
| 343 | E | 70.1 | Confident | 70.2 | Confident | 135 Ų | 135 | 137.1 Ų | 137.1 | 63% | 0.631 | 74% | 0.737 | S | S | * | * | | | trans | -81 | 111 | -179.5 | -60.1 | -156.5 | 123.1 | 0 | 0 | 111.4 | K341 H345 | K341-E343 PolarHBondContact O-N 2.59Å; E343-H345 PolarHBondContact O-N 2.93Å |
| 344 | T | 63.7 | Low | 69.3 | Low | 125 Ų | 125 | 140 Ų | 140 | 77% | 0.767 | 75% | 0.748 | S | S | * | * | | | trans | -80.4 | 79.3 | -174.5 | -40.6 | 0 | 0 | 0 | 0 | 111.9 | I342 K346 | I342-T344 PolarHBondContact O-N 3.12Å; T344-K346 PolarHBondContact O-N 3.12Å |
| 345 | H | 69.1 | Low | 68.6 | Low | 149 Ų | 149 | 138.1 Ų | 138.1 | 69% | 0.69 | 75% | 0.746 | S | S | * | * | | | trans | -70 | 77.3 | 170.7 | -79.1 | -92.6 | 0 | 0 | 0 | 111.5 | E343 L347 | E343-H345 PolarHBondContact O-N 2.93Å; H345-L347 PolarHBondContact O-N 3.28Å |
| 346 | K | 66.5 | Low | 68.1 | Low | 182 Ų | 182 | 143.3 Ų | 143.3 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | | | trans | -74.4 | 89.5 | 177.6 | -169.1 | 175.8 | -175.8 | 176.9 | 0 | 110.4 | T344 T348 | T344-K346 PolarHBondContact O-N 3.12Å; K346-T348 PolarHBondContact O-N 3.37Å |
| 347 | L | 65.8 | Low | 67.6 | Low | 121 Ų | 121 | 145.3 Ų | 145.3 | 63% | 0.634 | 76% | 0.757 | S | S | * | * | | | trans | -65.5 | 109.4 | -175.4 | -67.5 | 156.9 | 0 | 0 | 0 | 112.3 | H345 F349 | H345-L347 PolarHBondContact O-N 3.28Å; L347-F349 VanDerWaalsContact C-N 3.31Å; L347-F349 HydrophobicContact CB-CD2 3.84Å; L347-F349 HydrophobicContact CB-CE1 4.24Å; L347-F349 HydrophobicContact CB-CE2 3.44Å; L347-F349 VanDerWaalsContact CB-CE2 3.44Å; L347-F349 HydrophobicContact CB-CG 4.42Å; L347-F349 HydrophobicContact CB-CZ 3.67Å; L347-F349 HydrophobicContact CD1-CE2 3.79Å; L347-F349 HydrophobicContact CD1-CZ 3.76Å; L347-F349 HydrophobicContact CD2-CE1 4.26Å; L347-F349 HydrophobicContact CD2-CE2 4.49Å; L347-F349 HydrophobicContact CD2-CZ 3.88Å; L347-F349 HydrophobicContact CG-CE2 4.08Å; L347-F349 HydrophobicContact CG-CZ 3.97Å; L347-F349 PolarHBondContact O-N 3.18Å |
| 348 | T | 63.2 | Low | 67 | Low | 124 Ų | 124 | 149.6 Ų | 149.6 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | | | trans | -84.8 | 61.8 | -177.2 | 49.9 | 0 | 0 | 0 | 0 | 112.7 | K346 R350 | K346-T348 PolarHBondContact O-N 3.37Å; T348-R350 VanDerWaalsContact C-N 3.3Å; T348-R350 PolarHBondContact O-N 2.94Å |
| 349 | F | 63.1 | Low | 66.6 | Low | 137 Ų | 137 | 151.9 Ų | 151.9 | 60% | 0.601 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -70.5 | -15.7 | -175.9 | -64.3 | -53.7 | 0 | 0 | 0 | 115.6 | L347 E351 A353 | L347-F349 VanDerWaalsContact C-N 3.31Å; L347-F349 HydrophobicContact CB-CD2 3.84Å; L347-F349 HydrophobicContact CB-CE1 4.24Å; L347-F349 HydrophobicContact CB-CE2 3.44Å; L347-F349 VanDerWaalsContact CB-CE2 3.44Å; L347-F349 HydrophobicContact CB-CG 4.42Å; L347-F349 HydrophobicContact CB-CZ 3.67Å; L347-F349 HydrophobicContact CD1-CE2 3.79Å; L347-F349 HydrophobicContact CD1-CZ 3.76Å; L347-F349 HydrophobicContact CD2-CE1 4.26Å; L347-F349 HydrophobicContact CD2-CE2 4.49Å; L347-F349 HydrophobicContact CD2-CZ 3.88Å; L347-F349 HydrophobicContact CG-CE2 4.08Å; L347-F349 HydrophobicContact CG-CZ 3.97Å; L347-F349 PolarHBondContact O-N 3.18Å; F349-E351 VanDerWaalsContact C-N 3.28Å; F349-E351 PolarHBondContact O-N 3.43Å; F349-E351 VanDerWaalsContact O-N 3.11Å; F349-A353 WeakPolarHBondContact O-CB 3.45Å; F349-A353 PolarHBondContact O-N 3.33Å |
| 350 | R | 63.7 | Low | 66.3 | Low | 256 Ų | 256 | 148.7 Ų | 148.7 | 97% | 0.966 | 76% | 0.757 | S | S | * | * | H | α-helix | trans | -69 | -10.6 | -164.8 | -68.8 | -175.2 | 71.5 | 141.6 | -0.9 | 116.7 | T348 | T348-R350 VanDerWaalsContact C-N 3.3Å; T348-R350 PolarHBondContact O-N 2.94Å |
| 351 | E | 61.9 | Low | 66 | Low | 183 Ų | 183 | 142.8 Ų | 142.8 | 86% | 0.855 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -119.9 | -36.9 | -174.6 | -166.6 | 167.7 | -157.3 | 0 | 0 | 113.7 | F349 | F349-E351 VanDerWaalsContact C-N 3.28Å; F349-E351 PolarHBondContact O-N 3.43Å; F349-E351 VanDerWaalsContact O-N 3.11Å |
| 352 | N | 59.6 | Low | 65.7 | Low | 149 Ų | 149 | 143 Ų | 143 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | H | α-helix | trans | -95.5 | -6.8 | -178.2 | -74.9 | -42.5 | 0 | 0 | 0 | 114.7 | K354 | N352-K354 PolarHBondContact O-N 3.25Å |
| 353 | A | 61.9 | Low | 65.2 | Low | 74 Ų | 74 | 141.9 Ų | 141.9 | 61% | 0.612 | 74% | 0.743 | S | S | * | * | | | trans | -79.3 | 86.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F349 A355 | F349-A353 WeakPolarHBondContact O-CB 3.45Å; F349-A353 PolarHBondContact O-N 3.33Å; A353-A355 PolarHBondContact O-N 3.05Å |
| 354 | K | 65.4 | Low | 65.2 | Low | 198 Ų | 198 | 140.7 Ų | 140.7 | 86% | 0.861 | 74% | 0.744 | S | S | * | * | | | trans | -63.7 | 127.5 | 162.7 | -81 | -165.7 | 173.5 | -171.6 | 0 | 109.9 | N352 K356 | N352-K354 PolarHBondContact O-N 3.25Å; K354-K356 PolarHBondContact O-N 3.02Å; K354-K356 VanDerWaalsContact O-N 3.16Å |
| 355 | A | 68.9 | Low | 64.9 | Low | 87 Ų | 87 | 144 Ų | 144 | 72% | 0.719 | 74% | 0.744 | S | S | * | * | | | trans | -59.2 | 116.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | A353 | A353-A355 PolarHBondContact O-N 3.05Š|
| 356 | K | 69.2 | Low | 64.8 | Low | 210 Ų | 210 | 145.8 Ų | 145.8 | 91% | 0.913 | 75% | 0.75 | S | S | * | * | | | trans | -98.8 | 62.1 | 166.4 | -77.6 | -170.3 | 171.5 | -172.9 | 0 | 109.6 | K354 D358 | K354-K356 PolarHBondContact O-N 3.02Å; K354-K356 VanDerWaalsContact O-N 3.16Å; K356-D358 PolarHBondContact O-N 3.41Å |
| 357 | T | 69.8 | Low | 64 | Low | 106 Ų | 106 | 140.5 Ų | 140.5 | 65% | 0.65 | 74% | 0.736 | S | S | * | * | | | trans | -77.9 | 92.1 | 164.1 | 45.2 | 0 | 0 | 0 | 0 | 108.2 | H359 | T357-H359 PolarHBondContact O-ND1 3.09Š|
| 358 | D | 66.4 | Low | 63.8 | Low | 148 Ų | 148 | 140.4 Ų | 140.4 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | | | trans | -71.1 | 141.7 | 158.3 | -166.8 | 9.5 | 0 | 0 | 0 | 108.8 | K356 G360 | K356-D358 PolarHBondContact O-N 3.41Å; D358-G360 VanDerWaalsContact C-N 3.29Å; D358-G360 PolarHBondContact O-N 3.08Å; D358-G360 VanDerWaalsContact O-N 3.14Å |
| 359 | H | 60.4 | Low | 62.9 | Low | 131 Ų | 131 | 141 Ų | 141 | 61% | 0.606 | 75% | 0.746 | S | S | * | * | | | trans | -91 | 74.7 | -179.3 | -56.9 | 63.6 | 0 | 0 | 0 | 106.4 | T357 A361 I363 | T357-H359 PolarHBondContact O-ND1 3.09Å; H359-A361 PolarHBondContact O-N 3.04Å; H359-I363 HydrophobicContact CB-CD1 4.46Å |
| 360 | G | 62.3 | Low | 62.4 | Low | 82 Ų | 82 | 140.5 Ų | 140.5 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | | | trans | -65.5 | 20.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | D358 | D358-G360 VanDerWaalsContact C-N 3.29Å; D358-G360 PolarHBondContact O-N 3.08Å; D358-G360 VanDerWaalsContact O-N 3.14Å |
| 361 | A | 66.2 | Low | 61.6 | Low | 72 Ų | 72 | 133.9 Ų | 133.9 | 60% | 0.595 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -136.9 | 133.9 | 170 | 0 | 0 | 0 | 0 | 0 | 108.1 | H359 I363 | H359-A361 PolarHBondContact O-N 3.04Å; A361-I363 PolarHBondContact O-N 3.04Å |
| 362 | E | 67.9 | Low | 60.7 | Low | 180 Ų | 180 | 127.8 Ų | 127.8 | 84% | 0.841 | 73% | 0.733 | S | S | * | * | | | trans | -62 | 110.3 | 176 | -67.3 | -170.4 | 136.6 | 0 | 0 | 110.4 | V364 | E362-V364 HydrophobicContact CB-CG2 4.14Å; E362-V364 PolarHBondContact O-N 3.01Å |
| 363 | I | 64.6 | Low | 59.8 | Low | 131 Ų | 131 | 128.8 Ų | 128.8 | 67% | 0.672 | 74% | 0.738 | S | S | * | * | | | trans | -77.7 | 79.8 | 174.1 | -53.4 | -178.5 | 0 | 0 | 0 | 108.2 | H359 A361 Y365 | H359-I363 HydrophobicContact CB-CD1 4.46Å; A361-I363 PolarHBondContact O-N 3.04Å; I363-Y365 VanDerWaalsContact C-N 3.3Å; I363-Y365 PolarHBondContact O-N 2.89Å |
| 364 | V | 69.1 | Low | 59.2 | Low | 110 Ų | 110 | 131.5 Ų | 131.5 | 67% | 0.667 | 75% | 0.747 | S | S | * | * | | | trans | -68.5 | 86.7 | 176.9 | -177.5 | 0 | 0 | 0 | 0 | 109.4 | E362 K366 | E362-V364 HydrophobicContact CB-CG2 4.14Å; E362-V364 PolarHBondContact O-N 3.01Å; V364-K366 VanDerWaalsContact C-N 3.26Å; V364-K366 PolarHBondContact O-N 3.24Å |
| 365 | Y | 57.3 | Low | 58.1 | Low | 193 Ų | 193 | 127.4 Ų | 127.4 | 76% | 0.757 | 74% | 0.744 | S | S | * | * | | | trans | -71.9 | 80.6 | 177.3 | -172.7 | -104.5 | 0 | 0 | 0 | 111.1 | I363 S367 | I363-Y365 VanDerWaalsContact C-N 3.3Å; I363-Y365 PolarHBondContact O-N 2.89Å; Y365-S367 VanDerWaalsContact C-N 3.32Å; Y365-S367 PolarHBondContact O-N 3.15Å |
| 366 | K | 67.5 | Low | 57.7 | Low | 187 Ų | 187 | 129 Ų | 129 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | | | trans | -80.5 | 81 | 175.9 | -153.6 | 176.7 | -165.7 | -61.2 | 0 | 109.4 | V364 P368 | V364-K366 VanDerWaalsContact C-N 3.26Å; V364-K366 PolarHBondContact O-N 3.24Å; K366-P368 WeakPolarHBondContact O-CD 3.33Å |
| 367 | S | 50.9 | Low | 57.1 | Low | 71 Ų | 71 | 130 Ų | 130 | 50% | 0.497 | 75% | 0.745 | S | S | . | * | | | trans | -52.1 | 125.9 | -178.1 | 48.9 | 0 | 0 | 0 | 0 | 112.5 | Y365 V369 | Y365-S367 VanDerWaalsContact C-N 3.32Å; Y365-S367 PolarHBondContact O-N 3.15Å; S367-V369 PolarHBondContact O-N 3.2Å |
| 368 | P | 61.5 | Low | 56 | Low | 120 Ų | 120 | 133.3 Ų | 133.3 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | | | trans | -64.1 | 121.7 | 164.5 | -19.6 | 32.9 | 0 | 0 | 0 | 109 | K366 V370 | K366-P368 WeakPolarHBondContact O-CD 3.33Å; P368-V370 PolarHBondContact O-N 3.4Å |
| 369 | V | 43.3 | Very low | 55.6 | Low | 136 Ų | 136 | 133.7 Ų | 133.7 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | | | trans | -76.1 | 111.9 | 170.5 | 179 | 0 | 0 | 0 | 0 | 107.8 | S367 | S367-V369 PolarHBondContact O-N 3.2Š|
| 370 | V | 51.8 | Low | 55 | Low | 127 Ų | 127 | 131.3 Ų | 131.3 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | | | trans | -175.5 | 130.7 | 145.8 | 140.2 | 0 | 0 | 0 | 0 | 110.7 | P368 | P368-V370 PolarHBondContact O-N 3.4Š|
| 371 | S | 47 | Very low | 54.4 | Low | 116 Ų | 116 | 134.5 Ų | 134.5 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | | | trans | 13.4 | 133.4 | 155.1 | -45.3 | 0 | 0 | 0 | 0 | 122.7 | | |
| 372 | G | 43.7 | Very low | 53.8 | Low | 55 Ų | 55 | 137.2 Ų | 137.2 | 57% | 0.567 | 76% | 0.759 | S | S | * | * | | | | 97.3 | 98.1 | 115.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | T374 | G372-T374 PolarHBondContact O-N 2.98Å; G372-T374 VanDerWaalsContact O-N 3.17Å |
| 373 | D | 40.1 | Very low | 52.8 | Low | 171 Ų | 171 | 133.6 Ų | 133.6 | 91% | 0.914 | 75% | 0.753 | S | S | * | * | | | | 57.5 | 40.3 | 125.8 | -50 | -14.6 | 0 | 0 | 0 | 119.8 | | |
| 374 | T | 49.9 | Very low | 52.2 | Low | 131 Ų | 131 | 133.4 Ų | 133.4 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | | | trans | -130.4 | 141 | 154.7 | 63.2 | 0 | 0 | 0 | 0 | 111.9 | G372 P376 | G372-T374 PolarHBondContact O-N 2.98Å; G372-T374 VanDerWaalsContact O-N 3.17Å; T374-P376 WeakPolarHBondContact O-CD 3.21Å |
| 375 | S | 42.9 | Very low | 51.2 | Low | 112 Ų | 112 | 134.5 Ų | 134.5 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 117.4 | -178.6 | -172.5 | 0 | 0 | 0 | 0 | 110.6 | R377 | S375-R377 PolarHBondContact O-N 3.01Š|
| 376 | P | 60.1 | Low | 51.1 | Low | 121 Ų | 121 | 129.5 Ų | 129.5 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 129.3 | -179.7 | -22.5 | 34.7 | 0 | 0 | 0 | 111.9 | T374 | T374-P376 WeakPolarHBondContact O-CD 3.21Š|
| 377 | R | 56.8 | Low | 50.6 | Low | 229 Ų | 229 | 124.5 Ų | 124.5 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 148.8 | -179.1 | -68.1 | -173.3 | -179.1 | -179 | 1.5 | 112.2 | S375 L379 | S375-R377 PolarHBondContact O-N 3.01Å; R377-L379 PolarHBondContact O-N 3.04Å |
| 378 | H | 46.6 | Very low | 50.8 | Low | 177 Ų | 177 | 128.7 Ų | 128.7 | 82% | 0.819 | 78% | 0.781 | S | S | * | * | | | trans | -57.3 | 110 | -179.4 | -166.2 | -83.2 | 0 | 0 | 0 | 112.3 | S380 | H378-S380 PolarHBondContact O-N 3.14Š|
| 379 | L | 56.9 | Low | 50.4 | Low | 155 Ų | 155 | 128.6 Ų | 128.6 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | | | trans | -84 | 113.6 | -179.2 | -69.2 | 178.6 | 0 | 0 | 0 | 112.1 | R377 | R377-L379 PolarHBondContact O-N 3.04Š|
| 380 | S | 48.7 | Very low | 50.8 | Low | 82 Ų | 82 | 130.6 Ų | 130.6 | 57% | 0.573 | 78% | 0.777 | S | S | * | * | | | trans | 17.1 | 120.6 | 153.8 | 56.2 | 0 | 0 | 0 | 0 | 119.6 | H378 V382 | H378-S380 PolarHBondContact O-N 3.14Å; S380-V382 PolarHBondContact O-N 3.37Å |
| 381 | N | 50.7 | Low | 51.2 | Low | 149 Ų | 149 | 130.5 Ų | 130.5 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | | | trans | -65.1 | 91.3 | 165.1 | -67.6 | -5 | 0 | 0 | 0 | 111.6 | S383 | N381-S383 PolarHBondContact O-N 2.87Š|
| 382 | V | 53.1 | Low | 51.4 | Low | 129 Ų | 129 | 131.5 Ų | 131.5 | 78% | 0.782 | 77% | 0.772 | S | S | * | * | | | trans | -93.5 | 85.3 | 166.3 | -74.7 | 0 | 0 | 0 | 0 | 109.9 | S380 | S380-V382 PolarHBondContact O-N 3.37Š|
| 383 | S | 46.1 | Very low | 52.3 | Low | 103 Ų | 103 | 131.8 Ų | 131.8 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | | | trans | -106.8 | 112.3 | 172.1 | -67.7 | 0 | 0 | 0 | 0 | 110.1 | N381 T385 | N381-S383 PolarHBondContact O-N 2.87Å; S383-T385 PolarHBondContact O-N 3.03Å; S383-T385 VanDerWaalsContact O-N 3.11Å |
| 384 | S | 51.5 | Low | 53.7 | Low | 127 Ų | 127 | 128.2 Ų | 128.2 | 89% | 0.888 | 75% | 0.752 | S | S | * | * | | | trans | -65.9 | 106 | -176.6 | -47.6 | 0 | 0 | 0 | 0 | 111.6 | G386 | S384-G386 PolarHBondContact O-N 3.44Š|
| 385 | T | 49.2 | Very low | 54.7 | Low | 134 Ų | 134 | 129 Ų | 129 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | | | trans | -77 | 87.5 | 176.4 | 47.4 | 0 | 0 | 0 | 0 | 110.9 | S383 S387 | S383-T385 PolarHBondContact O-N 3.03Å; S383-T385 VanDerWaalsContact O-N 3.11Å; T385-S387 VanDerWaalsContact C-N 3.27Å; T385-S387 PolarHBondContact O-N 2.79Å |
| 386 | G | 55.8 | Low | 55.7 | Low | 88 Ų | 88 | 129.3 Ų | 129.3 | 91% | 0.907 | 74% | 0.739 | S | S | * | * | | | trans | -70.6 | 82.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | S384 | S384-G386 PolarHBondContact O-N 3.44Š|
| 387 | S | 56.8 | Low | 56 | Low | 81 Ų | 81 | 125.7 Ų | 125.7 | 57% | 0.566 | 72% | 0.719 | S | S | * | * | | | trans | -118.6 | 132.3 | 170.4 | -157.6 | 0 | 0 | 0 | 0 | 110 | T385 D389 | T385-S387 VanDerWaalsContact C-N 3.27Å; T385-S387 PolarHBondContact O-N 2.79Å; S387-D389 VanDerWaalsContact C-N 3.26Å; S387-D389 VanDerWaalsContact CB-OD2 3.22Å; S387-D389 WeakPolarHBondContact CB-OD2 3.02Å; S387-D389 PolarHBondContact O-N 3.05Å; S387-D389 PolarHBondContact OG-OD2 3.33Å |
| 388 | I | 54.7 | Low | 57 | Low | 159 Ų | 159 | 119.1 Ų | 119.1 | 82% | 0.815 | 70% | 0.704 | S | S | * | * | | | trans | -94 | 56.7 | 177.5 | -172.7 | 166.7 | 0 | 0 | 0 | 109.9 | M390 | I388-M390 PolarHBondContact O-N 3.13Š|
| 389 | D | 52.2 | Low | 58.7 | Low | 119 Ų | 119 | 115.1 Ų | 115.1 | 64% | 0.636 | 69% | 0.689 | S | S | * | * | | | trans | -80.5 | 99.5 | 172.2 | -70.6 | -68.6 | 0 | 0 | 0 | 108.8 | S387 V391 | S387-D389 VanDerWaalsContact C-N 3.26Å; S387-D389 VanDerWaalsContact CB-OD2 3.22Å; S387-D389 WeakPolarHBondContact CB-OD2 3.02Å; S387-D389 PolarHBondContact O-N 3.05Å; S387-D389 PolarHBondContact OG-OD2 3.33Å; D389-V391 PolarHBondContact O-N 3.09Å |
| 390 | M | 51.9 | Low | 59.8 | Low | 178 Ų | 178 | 110.4 Ų | 110.4 | 88% | 0.877 | 67% | 0.672 | S | S | * | * | | | trans | -72.2 | 67.8 | 174.8 | -69.9 | 178.2 | 59.7 | 0 | 0 | 110.9 | I388 | I388-M390 PolarHBondContact O-N 3.13Š|
| 391 | V | 59.9 | Low | 61.5 | Low | 125 Ų | 125 | 112.3 Ų | 112.3 | 76% | 0.758 | 68% | 0.676 | S | S | * | * | | | trans | -84.3 | 124.3 | 163.1 | -70.7 | 0 | 0 | 0 | 0 | 108.8 | D389 S393 | D389-V391 PolarHBondContact O-N 3.09Å; V391-S393 PolarHBondContact O-N 3.36Å |
| 392 | D | 52.8 | Low | 63.1 | Low | 136 Ų | 136 | 111.3 Ų | 111.3 | 73% | 0.727 | 67% | 0.666 | S | S | * | * | | | trans | -53.6 | 117 | -170.5 | -171.3 | 15.6 | 0 | 0 | 0 | 112 | | |
| 393 | S | 62.1 | Low | 64.7 | Low | 61 Ų | 61 | 109.7 Ų | 109.7 | 43% | 0.427 | 66% | 0.657 | S | S | . | * | | | trans | -90.4 | 115.2 | -178 | -173.5 | 0 | 0 | 0 | 0 | 108.6 | V391 Q395 L396 | V391-S393 PolarHBondContact O-N 3.36Å; S393-Q395 PolarHBondContact O-N 3.04Å; S393-L396 PolarHBondContact O-N 3.14Å |
| 394 | P | 69.2 | Low | 66.6 | Low | 96 Ų | 96 | 108.3 Ų | 108.3 | 62% | 0.623 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -63.2 | -14.2 | -161.9 | 22.7 | -34.4 | 0 | 0 | 0 | 114.8 | L396 A397 T398 | P394-L396 VanDerWaalsContact C-N 3.31Å; P394-L396 PolarHBondContact O-N 2.81Å; P394-A397 PolarHBondContact O-N 2.98Å; P394-T398 PolarHBondContact O-N 3.42Å; P394-T398 PolarHBondContact O-OG1 2.89Å |
| 395 | Q | 70.5 | Confident | 68.2 | Low | 147 Ų | 147 | 104.5 Ų | 104.5 | 69% | 0.687 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.3 | -25.7 | 174.6 | -65 | -179.3 | -31 | 0 | 0 | 113.3 | S393 T398 L399 | S393-Q395 PolarHBondContact O-N 3.04Å; Q395-T398 WeakPolarHBondContact CA-OG1 3.42Å; Q395-T398 PolarHBondContact O-OG1 3.48Å; Q395-L399 WeakPolarHBondContact O-CD1 3.47Å; Q395-L399 WeakPolarHBondContact O-CG 3.45Å; Q395-L399 PolarHBondContact O-N 3.31Å |
| 396 | L | 63.6 | Low | 70.1 | Confident | 119 Ų | 119 | 101 Ų | 101 | 62% | 0.623 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -79.3 | -36.4 | 174.8 | -65.7 | -178.3 | 0 | 0 | 0 | 111.7 | S393 P394 T398 L399 A400 | S393-L396 PolarHBondContact O-N 3.14Å; P394-L396 VanDerWaalsContact C-N 3.31Å; P394-L396 PolarHBondContact O-N 2.81Å; L396-T398 PolarHBondContact O-N 3.1Å; L396-L399 HydrophobicContact CD2-CD1 4.41Å; L396-L399 PolarHBondContact O-N 3.49Å; L396-A400 PolarHBondContact O-N 2.63Å |
| 397 | A | 67.9 | Low | 71.4 | Confident | 45 Ų | 45 | 100.9 Ų | 100.9 | 37% | 0.372 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -59.9 | -45.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | P394 L399 A400 D401 | P394-A397 PolarHBondContact O-N 2.98Å; A397-L399 VanDerWaalsContact C-N 3.31Å; A397-L399 PolarHBondContact O-N 3.17Å; A397-A400 PolarHBondContact O-N 2.98Å; A397-D401 PolarHBondContact O-N 3.35Å; A397-D401 VanDerWaalsContact O-N 3.14Å |
| 398 | T | 76.6 | Confident | 72.7 | Confident | 91 Ų | 91 | 100.6 Ų | 100.6 | 56% | 0.558 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -61.7 | -36 | 176.8 | 47.8 | 0 | 0 | 0 | 0 | 113.3 | P394 Q395 L396 E402 | P394-T398 PolarHBondContact O-N 3.42Å; P394-T398 PolarHBondContact O-OG1 2.89Å; Q395-T398 WeakPolarHBondContact CA-OG1 3.42Å; Q395-T398 PolarHBondContact O-OG1 3.48Å; L396-T398 PolarHBondContact O-N 3.1Å; T398-E402 WeakPolarHBondContact O-CB 3.45Å; T398-E402 PolarHBondContact O-N 2.89Å |
| 399 | L | 82.4 | Confident | 73.9 | Confident | 94 Ų | 94 | 101.5 Ų | 101.5 | 49% | 0.492 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -71.1 | -34.5 | 176.8 | -72.9 | 167.7 | 0 | 0 | 0 | 112.2 | Q395 L396 A397 E402 V403 | Q395-L399 WeakPolarHBondContact O-CD1 3.47Å; Q395-L399 WeakPolarHBondContact O-CG 3.45Å; Q395-L399 PolarHBondContact O-N 3.31Å; L396-L399 HydrophobicContact CD2-CD1 4.41Å; L396-L399 PolarHBondContact O-N 3.49Å; A397-L399 VanDerWaalsContact C-N 3.31Å; A397-L399 PolarHBondContact O-N 3.17Å; L399-E402 PolarHBondContact O-N 2.61Å; L399-V403 WeakPolarHBondContact O-CB 3.14Å; L399-V403 VanDerWaalsContact O-CG2 3.3Å; L399-V403 WeakPolarHBondContact O-CG2 3.45Å; L399-V403 PolarHBondContact O-N 3.03Å |
| 400 | A | 80.7 | Confident | 75.1 | Confident | 56 Ų | 56 | 103.3 Ų | 103.3 | 46% | 0.463 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.6 | -42.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L396 A397 S404 | L396-A400 PolarHBondContact O-N 2.63Å; A397-A400 PolarHBondContact O-N 2.98Å; A400-S404 WeakPolarHBondContact O-CB 3.47Å; A400-S404 PolarHBondContact O-N 2.91Å; A400-S404 PolarHBondContact O-OG 2.99Å |
| 401 | D | 83.7 | Confident | 75.8 | Confident | 122 Ų | 122 | 98.1 Ų | 98.1 | 65% | 0.652 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.1 | -42.1 | 173.5 | -86.2 | -23.5 | 0 | 0 | 0 | 111.8 | A397 S404 A405 | A397-D401 PolarHBondContact O-N 3.35Å; A397-D401 VanDerWaalsContact O-N 3.14Å; D401-S404 PolarHBondContact O-N 2.95Å; D401-A405 VanDerWaalsContact O-CB 3.26Å; D401-A405 WeakPolarHBondContact O-CB 3.42Å; D401-A405 PolarHBondContact O-N 2.96Å |
| 402 | E | 85.4 | Confident | 75.3 | Confident | 127 Ų | 127 | 101.3 Ų | 101.3 | 59% | 0.593 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -67 | -37.7 | -179.3 | -170.8 | 166.6 | -132.7 | 0 | 0 | 112.6 | T398 L399 S406 | T398-E402 WeakPolarHBondContact O-CB 3.45Å; T398-E402 PolarHBondContact O-N 2.89Å; L399-E402 PolarHBondContact O-N 2.61Å; E402-S406 WeakPolarHBondContact O-CB 3.41Å; E402-S406 PolarHBondContact O-N 3.27Å; E402-S406 PolarHBondContact O-OG 2.85Å |
| 403 | V | 85.8 | Confident | 76.4 | Confident | 96 Ų | 96 | 99.6 Ų | 99.6 | 58% | 0.582 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66 | -45.4 | 171 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | L399 A405 S406 L407 | L399-V403 WeakPolarHBondContact O-CB 3.14Å; L399-V403 VanDerWaalsContact O-CG2 3.3Å; L399-V403 WeakPolarHBondContact O-CG2 3.45Å; L399-V403 PolarHBondContact O-N 3.03Å; V403-A405 PolarHBondContact O-N 3.12Å; V403-S406 WeakPolarHBondContact O-CB 3.15Å; V403-S406 PolarHBondContact O-N 3.09Å; V403-S406 VanDerWaalsContact O-N 3.12Å; V403-L407 PolarHBondContact O-N 3.41Å |
| 404 | S | 86.1 | Confident | 77.2 | Confident | 73 Ų | 73 | 101.6 Ų | 101.6 | 51% | 0.51 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.4 | -43 | 179.8 | -58.1 | 0 | 0 | 0 | 0 | 112 | A400 D401 S406 L407 A408 | A400-S404 WeakPolarHBondContact O-CB 3.47Å; A400-S404 PolarHBondContact O-N 2.91Å; A400-S404 PolarHBondContact O-OG 2.99Å; D401-S404 PolarHBondContact O-N 2.95Å; S404-S406 VanDerWaalsContact C-N 3.27Å; S404-S406 PolarHBondContact O-N 3.08Å; S404-L407 PolarHBondContact O-N 3.02Å; S404-A408 WeakPolarHBondContact O-CB 3.39Å; S404-A408 PolarHBondContact O-N 2.91Å |
| 405 | A | 85.9 | Confident | 77.6 | Confident | 48 Ų | 48 | 101.9 Ų | 101.9 | 40% | 0.397 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67.8 | -24.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D401 V403 K409 | D401-A405 VanDerWaalsContact O-CB 3.26Å; D401-A405 WeakPolarHBondContact O-CB 3.42Å; D401-A405 PolarHBondContact O-N 2.96Å; V403-A405 PolarHBondContact O-N 3.12Å; A405-K409 WeakPolarHBondContact O-CD 2.89Å; A405-K409 VanDerWaalsContact O-CG 3.29Å; A405-K409 WeakPolarHBondContact O-CG 2.97Å; A405-K409 PolarHBondContact O-N 3.08Å |
| 406 | S | 87.8 | Confident | 78 | Confident | 59 Ų | 59 | 99.2 Ų | 99.2 | 41% | 0.413 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -76.7 | -39.9 | 173.3 | -62.2 | 0 | 0 | 0 | 0 | 111.9 | E402 V403 S404 K409 Q410 | E402-S406 WeakPolarHBondContact O-CB 3.41Å; E402-S406 PolarHBondContact O-N 3.27Å; E402-S406 PolarHBondContact O-OG 2.85Å; V403-S406 WeakPolarHBondContact O-CB 3.15Å; V403-S406 PolarHBondContact O-N 3.09Å; V403-S406 VanDerWaalsContact O-N 3.12Å; S404-S406 VanDerWaalsContact C-N 3.27Å; S404-S406 PolarHBondContact O-N 3.08Å; S406-K409 PolarHBondContact O-N 3.27Å; S406-Q410 PolarHBondContact O-N 3.03Å |
| 407 | L | 84 | Confident | 78.9 | Confident | 87 Ų | 87 | 98 Ų | 98 | 46% | 0.455 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.5 | -44.7 | 175.9 | -139.2 | 74.1 | 0 | 0 | 0 | 111.5 | V403 S404 K409 Q410 G411 L412 | V403-L407 PolarHBondContact O-N 3.41Å; S404-L407 PolarHBondContact O-N 3.02Å; L407-K409 PolarHBondContact O-N 2.91Å; L407-Q410 WeakPolarHBondContact O-CA 3.49Å; L407-Q410 PolarHBondContact O-N 3.16Å; L407-G411 PolarHBondContact O-N 3.16Å; L407-L412 HydrophobicContact CG-CB 4.28Å |
| 408 | A | 82.7 | Confident | 79.7 | Confident | 75 Ų | 75 | 101.5 Ų | 101.5 | 62% | 0.62 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -60 | -28.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | S404 Q410 | S404-A408 WeakPolarHBondContact O-CB 3.39Å; S404-A408 PolarHBondContact O-N 2.91Å; A408-Q410 VanDerWaalsContact C-N 3.33Å |
| 409 | K | 81.5 | Confident | 79.9 | Confident | 178 Ų | 178 | 102.3 Ų | 102.3 | 77% | 0.774 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -75.8 | -18 | 173 | -74.7 | 169 | -174.8 | 168.9 | 0 | 113.7 | A405 S406 L407 | A405-K409 WeakPolarHBondContact O-CD 2.89Å; A405-K409 VanDerWaalsContact O-CG 3.29Å; A405-K409 WeakPolarHBondContact O-CG 2.97Å; A405-K409 PolarHBondContact O-N 3.08Å; S406-K409 PolarHBondContact O-N 3.27Å; L407-K409 PolarHBondContact O-N 2.91Å |
| 410 | Q | 76.3 | Confident | 79.7 | Confident | 157 Ų | 157 | 102.9 Ų | 102.9 | 73% | 0.734 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -92.8 | -6.3 | 175.2 | -68.1 | -173.5 | -18.5 | 0 | 0 | 113.1 | S406 L407 A408 | S406-Q410 PolarHBondContact O-N 3.03Å; L407-Q410 WeakPolarHBondContact O-CA 3.49Å; L407-Q410 PolarHBondContact O-N 3.16Å; A408-Q410 VanDerWaalsContact C-N 3.33Å |
| 411 | G | 66.9 | Low | 79.6 | Confident | 69 Ų | 69 | 106.8 Ų | 106.8 | 71% | 0.711 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75.7 | 31.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L407 | L407-G411 PolarHBondContact O-N 3.16Š|
| 412 | L | 49.4 | Very low | 79.3 | Confident | 191 Ų | 191 | 105.5 Ų | 105.5 | 100% | 1 | 62% | 0.617 | S | S | * | * | | | trans | -97.7 | 0 | 173.7 | -129.4 | 77.3 | 0 | 0 | 0 | 111.7 | L407 | L407-L412 HydrophobicContact CG-CB 4.28Š|