| 1 | M | 42.4 | Very low | 45.7 | Very low | 243 Ų | 243 | 128.9 Ų | 128.9 | 100% | 1.197 | 81% | 0.809 | S | S | * | * | | | | 0 | 121.6 | 0 | -62.4 | 171.5 | 175.3 | 0 | 0 | 106.5 | | |
| 2 | S | 44.1 | Very low | 45.1 | Very low | 108 Ų | 108 | 127.8 Ų | 127.8 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | | | cis | -163.4 | 139.2 | -13.3 | -71.6 | 0 | 0 | 0 | 0 | 104 | | |
| 3 | A | 51.4 | Low | 44.4 | Very low | 97 Ų | 97 | 131.9 Ų | 131.9 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | | | trans | -68.8 | 152.8 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 4 | P | 51.8 | Low | 44.3 | Very low | 119 Ų | 119 | 127.6 Ų | 127.6 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | | | | -143.3 | 133.3 | 121.6 | 23.5 | -2 | 0 | 0 | 0 | 112.2 | | |
| 5 | A | 44.7 | Very low | 43.9 | Very low | 98 Ų | 98 | 127.5 Ų | 127.5 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | | | | 89 | 114.3 | 95.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 6 | Q | 42.5 | Very low | 44 | Very low | 186 Ų | 186 | 125.1 Ų | 125.1 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | | | trans | -77.9 | -176 | 161.8 | -58.9 | -170.3 | -26.1 | 0 | 0 | 110.3 | | |
| 7 | P | 63.8 | Low | 44.2 | Very low | 110 Ų | 110 | 125.2 Ų | 125.2 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | | | cis | -127 | -164.6 | -16.2 | 37.3 | -16.4 | 0 | 0 | 0 | 110 | | |
| 8 | P | 47.3 | Very low | 44.2 | Very low | 117 Ų | 117 | 122.8 Ų | 122.8 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | | | | -158.4 | 176.4 | 77.4 | 40.6 | -17.7 | 0 | 0 | 0 | 117.4 | | |
| 9 | A | 36 | Very low | 44.1 | Very low | 80 Ų | 80 | 120.7 Ų | 120.7 | 66% | 0.661 | 80% | 0.802 | S | S | * | * | | | trans | 79.8 | 114.5 | 140.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 10 | E | 38.3 | Very low | 44.1 | Very low | 199 Ų | 199 | 118.3 Ų | 118.3 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | | | | 54.9 | 126.7 | 127.2 | -77.7 | 174.6 | 99.3 | 0 | 0 | 122.1 | | |
| 11 | G | 40.4 | Very low | 44.4 | Very low | 61 Ų | 61 | 118.6 Ų | 118.6 | 63% | 0.629 | 80% | 0.799 | S | S | * | * | | | trans | -179.5 | 88.4 | 152.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 12 | T | 38.3 | Very low | 44.9 | Very low | 115 Ų | 115 | 112.9 Ų | 112.9 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | | | | 53.8 | 107.7 | 107.8 | 43.9 | 0 | 0 | 0 | 0 | 114 | | |
| 13 | E | 36.1 | Very low | 45 | Very low | 182 Ų | 182 | 110.9 Ų | 110.9 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | | | | 96.6 | 128.5 | 104.1 | -82.6 | 179 | 88.1 | 0 | 0 | 112.2 | | |
| 14 | G | 43.7 | Very low | 45.3 | Very low | 72 Ų | 72 | 112.3 Ų | 112.3 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | | | trans | 178.8 | 43.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 15 | T | 36.9 | Very low | 45.5 | Very low | 126 Ų | 126 | 112.1 Ų | 112.1 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | trans | 19.8 | 103.7 | 139.3 | -43 | 0 | 0 | 0 | 0 | 119.6 | | |
| 16 | A | 46.2 | Very low | 45.7 | Very low | 88 Ų | 88 | 113.5 Ų | 113.5 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | | 74.2 | 172.9 | 126.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 17 | P | 46.9 | Very low | 46.1 | Very low | 128 Ų | 128 | 110.9 Ų | 110.9 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | | | | -130.8 | 152.4 | -85.2 | 36.4 | -19 | 0 | 0 | 0 | 112.8 | | |
| 18 | G | 44.7 | Very low | 45.6 | Very low | 81 Ų | 81 | 114.4 Ų | 114.4 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | | | trans | -152.3 | 86 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 19 | G | 42 | Very low | 46 | Very low | 84 Ų | 84 | 114.3 Ų | 114.3 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | | | trans | 64.1 | 91.3 | 141 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 20 | G | 44.4 | Very low | 46.6 | Very low | 72 Ų | 72 | 114.4 Ų | 114.4 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | | | trans | 79 | 104.2 | 139.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 21 | P | 50.9 | Low | 47.2 | Very low | 125 Ų | 125 | 111.4 Ų | 111.4 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 145 | 176.8 | 28.6 | -31.6 | 0 | 0 | 0 | 112.7 | | |
| 22 | P | 51.7 | Low | 47.7 | Very low | 123 Ų | 123 | 118.4 Ų | 118.4 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 157.8 | 166.7 | 29.1 | -32.9 | 0 | 0 | 0 | 110.7 | | |
| 23 | G | 47.5 | Very low | 48.2 | Very low | 65 Ų | 65 | 123.8 Ų | 123.8 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -51 | 157.2 | -167.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 24 | P | 57.6 | Low | 48.8 | Very low | 128 Ų | 128 | 122.3 Ų | 122.3 | 83% | 0.831 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 130.9 | -172 | 25.5 | -32.3 | 0 | 0 | 0 | 112.1 | | |
| 25 | P | 55.9 | Low | 49.2 | Very low | 114 Ų | 114 | 125.6 Ų | 125.6 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 151.9 | 164.3 | 29.5 | -32.4 | 0 | 0 | 0 | 110.7 | N27 | P25-N27 PolarHBondContact O-N 3.37Š|
| 26 | P | 48.2 | Very low | 49.9 | Very low | 127 Ų | 127 | 128.2 Ų | 128.2 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 125 | -176.1 | 28.9 | -32.3 | 0 | 0 | 0 | 112 | | |
| 27 | N | 52 | Low | 50 | Low | 131 Ų | 131 | 130.3 Ų | 130.3 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | | | trans | 40.2 | 101 | 144.9 | -165.3 | 11.3 | 0 | 0 | 0 | 119.5 | P25 | P25-N27 PolarHBondContact O-N 3.37Š|
| 28 | M | 53.7 | Low | 50.1 | Low | 185 Ų | 185 | 133 Ų | 133 | 91% | 0.911 | 78% | 0.778 | S | S | * | * | | | trans | -161.2 | 29 | 152.7 | -119.8 | 169.8 | 179.4 | 0 | 0 | 116.9 | | |
| 29 | T | 55.1 | Low | 50.4 | Low | 115 Ų | 115 | 132.9 Ų | 132.9 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | | | trans | -142.4 | 20.7 | 176.3 | -45 | 0 | 0 | 0 | 0 | 115.3 | N31 | T29-N31 PolarHBondContact O-N 3.2Š|
| 30 | S | 48.4 | Very low | 50.3 | Low | 82 Ų | 82 | 137.7 Ų | 137.7 | 57% | 0.573 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -2.4 | 169.5 | -54.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 31 | N | 50.6 | Low | 50.6 | Low | 135 Ų | 135 | 140.7 Ų | 140.7 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -4.1 | -178.5 | -102.6 | -75.4 | 0 | 0 | 0 | 115.4 | T29 | T29-N31 PolarHBondContact O-N 3.2Š|
| 32 | R | 51.7 | Low | 50.5 | Low | 209 Ų | 209 | 143.2 Ų | 143.2 | 79% | 0.789 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -122.7 | -8.6 | -174.5 | -152 | 163.7 | -168.3 | 133.5 | 2.5 | 116.8 | | |
| 33 | R | 49 | Very low | 50.6 | Low | 228 Ų | 228 | 145.5 Ų | 145.5 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -110.9 | 3.8 | 173.6 | -65.6 | -166.4 | -176.5 | -153.3 | 2 | 114.6 | | |
| 34 | L | 46.8 | Very low | 50.9 | Low | 151 Ų | 151 | 148.4 Ų | 148.4 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -96.3 | -0.6 | 167 | -65.4 | 176.1 | 0 | 0 | 0 | 112.9 | | |
| 35 | Q | 52.3 | Low | 50.5 | Low | 141 Ų | 141 | 147.9 Ų | 147.9 | 66% | 0.659 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -103.4 | 1.5 | -178.2 | -74.4 | -170.2 | 32 | 0 | 0 | 114.9 | | |
| 36 | Q | 51.3 | Low | 50.2 | Low | 180 Ų | 180 | 148 Ų | 148 | 84% | 0.841 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -135 | 51.2 | 176.8 | -77.7 | -172.3 | -54.2 | 0 | 0 | 112.7 | | |
| 37 | T | 49.4 | Very low | 50.4 | Low | 132 Ų | 132 | 148.6 Ų | 148.6 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | | | trans | -134.2 | 50.3 | 154.3 | -40.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 38 | Q | 48.2 | Very low | 50.5 | Low | 184 Ų | 184 | 149.4 Ų | 149.4 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | | | trans | -81.7 | 107.6 | 149.4 | -79.5 | -174.3 | 63.3 | 0 | 0 | 106.6 | | |
| 39 | A | 52.4 | Low | 50.3 | Low | 79 Ų | 79 | 149 Ų | 149 | 65% | 0.653 | 75% | 0.753 | S | S | * | * | S | Bend | trans | 155.8 | 116.4 | 139.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 40 | Q | 39 | Very low | 50 | Low | 186 Ų | 186 | 148.1 Ų | 148.1 | 87% | 0.869 | 75% | 0.748 | S | S | * | * | | | trans | 81.4 | 91.2 | 174.8 | -52.4 | -179.4 | 94.7 | 0 | 0 | 112.9 | | |
| 41 | V | 49.9 | Very low | 50 | Low | 134 Ų | 134 | 149.3 Ų | 149.3 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | | | cis | 53.6 | 101.9 | 49.6 | -165.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 42 | E | 49.1 | Very low | 49.6 | Very low | 178 Ų | 178 | 147.9 Ų | 147.9 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | | | trans | -164.3 | 115.4 | 131 | -115.2 | 168.2 | 166.6 | 0 | 0 | 111.5 | | |
| 43 | E | 54.8 | Low | 49.4 | Very low | 171 Ų | 171 | 145 Ų | 145 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 76.2 | 51.9 | 132 | -148.1 | -174.4 | -164.7 | 0 | 0 | 121.1 | | |
| 44 | V | 52.5 | Low | 49.5 | Very low | 127 Ų | 127 | 142.2 Ų | 142.2 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -150.2 | 27.4 | 147.6 | -141.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 45 | V | 50.1 | Low | 49.6 | Very low | 116 Ų | 116 | 140.6 Ų | 140.6 | 70% | 0.703 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -127.5 | 34.5 | 172 | -165.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 46 | D | 48.6 | Very low | 49.3 | Very low | 118 Ų | 118 | 141.4 Ų | 141.4 | 63% | 0.631 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -116.6 | 1.8 | 170 | -113.6 | 2.8 | 0 | 0 | 0 | 114 | V50 | D46-V50 VanDerWaalsContact O-CG2 3.28Å; D46-V50 WeakPolarHBondContact O-CG2 3.05Å |
| 47 | I | 54.2 | Low | 49.1 | Very low | 139 Ų | 139 | 142.1 Ų | 142.1 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -96.6 | -12.6 | -175.7 | -61.7 | 178.8 | 0 | 0 | 0 | 113.5 | | |
| 48 | I | 52.8 | Low | 49.3 | Very low | 148 Ų | 148 | 147 Ų | 147 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -113.8 | 10.3 | 174.4 | -50.5 | 175.8 | 0 | 0 | 0 | 112.1 | | |
| 49 | R | 50 | Low | 49.2 | Very low | 175 Ų | 175 | 144 Ų | 144 | 66% | 0.66 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -101.9 | -10.3 | 163 | -82.1 | -169.5 | 174.9 | 104.3 | -0.2 | 113.9 | | |
| 50 | V | 48.1 | Very low | 48.9 | Very low | 98 Ų | 98 | 147.2 Ų | 147.2 | 59% | 0.594 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -97.4 | -11.8 | -179.6 | -176.1 | 0 | 0 | 0 | 0 | 113.1 | D46 | D46-V50 VanDerWaalsContact O-CG2 3.28Å; D46-V50 WeakPolarHBondContact O-CG2 3.05Å |
| 51 | N | 49.7 | Very low | 49 | Very low | 107 Ų | 107 | 147.5 Ų | 147.5 | 57% | 0.572 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -111.8 | 3 | 179.7 | -123.5 | 13.3 | 0 | 0 | 0 | 115.6 | | |
| 52 | V | 42.3 | Very low | 48.9 | Very low | 104 Ų | 104 | 149.2 Ų | 149.2 | 63% | 0.63 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -90 | -17.3 | 165.1 | 174 | 0 | 0 | 0 | 0 | 111.6 | K54 | V52-K54 VanDerWaalsContact C-N 3.29Š|
| 53 | D | 46 | Very low | 48.9 | Very low | 150 Ų | 150 | 145.7 Ų | 145.7 | 80% | 0.802 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -84.8 | 3.3 | 167.4 | -75.9 | -39.1 | 0 | 0 | 0 | 113.5 | | |
| 54 | K | 51.4 | Low | 48.4 | Very low | 169 Ų | 169 | 145.3 Ų | 145.3 | 74% | 0.735 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -130.9 | 9.6 | -174.2 | -134.3 | 176.2 | -174.1 | 176.3 | 0 | 116.9 | V52 | V52-K54 VanDerWaalsContact C-N 3.29Š|
| 55 | V | 50.4 | Low | 48 | Very low | 117 Ų | 117 | 144.5 Ų | 144.5 | 71% | 0.709 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -148.1 | 49.9 | 176 | 89.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 56 | L | 44.5 | Very low | 48 | Very low | 158 Ų | 158 | 145.7 Ų | 145.7 | 83% | 0.827 | 73% | 0.729 | S | S | * | * | | | trans | -130.1 | 30.6 | 160.5 | -98.7 | 162.9 | 0 | 0 | 0 | 112.3 | R58 | L56-R58 VanDerWaalsContact C-N 3.3Š|
| 57 | E | 46.8 | Very low | 47.8 | Very low | 194 Ų | 194 | 146.6 Ų | 146.6 | 91% | 0.907 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -90 | 17.7 | 173 | -96 | -167.7 | 152.3 | 0 | 0 | 113.9 | | |
| 58 | R | 54.6 | Low | 47.1 | Very low | 234 Ų | 234 | 151.4 Ų | 151.4 | 88% | 0.883 | 74% | 0.743 | S | S | * | * | | | trans | -147.4 | 67.9 | 172.6 | -78.6 | -154.3 | 165.2 | 151.8 | 0.4 | 113.3 | L56 | L56-R58 VanDerWaalsContact C-N 3.3Š|
| 59 | D | 45.2 | Very low | 46.7 | Very low | 123 Ų | 123 | 146.4 Ų | 146.4 | 66% | 0.658 | 72% | 0.724 | S | S | * | * | | | | -160.6 | 119 | 128.2 | -124.9 | 22.3 | 0 | 0 | 0 | 114.1 | | |
| 60 | Q | 47.3 | Very low | 46.6 | Very low | 145 Ų | 145 | 145.7 Ų | 145.7 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | | | trans | 51.4 | 111.5 | 131.6 | -65 | 176.4 | 39.7 | 0 | 0 | 119.8 | | |
| 61 | K | 41.6 | Very low | 46.4 | Very low | 193 Ų | 193 | 145.6 Ų | 145.6 | 84% | 0.839 | 74% | 0.742 | S | S | * | * | | | | 147.2 | 98 | 127.5 | -83.4 | 165.7 | 175.7 | 176.6 | 0 | 108.2 | | |
| 62 | L | 48.1 | Very low | 46.2 | Very low | 169 Ų | 169 | 147.6 Ų | 147.6 | 89% | 0.885 | 75% | 0.752 | S | S | * | * | | | | 31.2 | 119.3 | 87.2 | -92.9 | 171.5 | 0 | 0 | 0 | 113.9 | | |
| 63 | S | 48.2 | Very low | 46.2 | Very low | 104 Ų | 104 | 148.2 Ų | 148.2 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | | | trans | 71.4 | 102.5 | 166.4 | -126.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 64 | E | 44 | Very low | 46.3 | Very low | 163 Ų | 163 | 145.1 Ų | 145.1 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | | | | 165.5 | 148.2 | 73.7 | -84.3 | -176 | 128.1 | 0 | 0 | 101.7 | | |
| 65 | L | 43.3 | Very low | 46 | Very low | 110 Ų | 110 | 140 Ų | 140 | 58% | 0.576 | 74% | 0.738 | S | S | * | * | | | cis | -172.6 | 117.1 | 19.1 | -132.1 | 59.5 | 0 | 0 | 0 | 100.9 | D67 | L65-D67 PolarHBondContact O-N 3.11Å; L65-D67 VanDerWaalsContact O-N 3.11Å |
| 66 | D | 50.1 | Low | 45.7 | Very low | 142 Ų | 142 | 137.6 Ų | 137.6 | 76% | 0.759 | 73% | 0.731 | S | S | * | * | | | | 70.9 | -20.2 | 83.1 | -150.5 | 32.8 | 0 | 0 | 0 | 115.5 | | |
| 67 | D | 45.1 | Very low | 45.6 | Very low | 136 Ų | 136 | 133.3 Ų | 133.3 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -107.4 | 1.2 | -169.6 | -82.2 | -42.9 | 0 | 0 | 0 | 116.6 | L65 | L65-D67 PolarHBondContact O-N 3.11Å; L65-D67 VanDerWaalsContact O-N 3.11Å |
| 68 | R | 39.7 | Very low | 45.3 | Very low | 241 Ų | 241 | 129.9 Ų | 129.9 | 91% | 0.909 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -129.9 | 27.4 | 171.7 | -65.3 | -167.3 | -177.7 | -155.8 | 2.2 | 113.3 | | |
| 69 | A | 45.5 | Very low | 44.8 | Very low | 43 Ų | 43 | 127.6 Ų | 127.6 | 36% | 0.355 | 70% | 0.695 | S | S | . | * | S | Bend | trans | -79 | -27.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q73 | A69-Q73 WeakPolarHBondContact O-CB 3.28Å; A69-Q73 PolarHBondContact O-OE1 3.3Å |
| 70 | D | 46.1 | Very low | 44.6 | Very low | 160 Ų | 160 | 129.5 Ų | 129.5 | 86% | 0.856 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -22.1 | -166.9 | -98.8 | -27.3 | 0 | 0 | 0 | 116.6 | | |
| 71 | A | 45.6 | Very low | 44.3 | Very low | 95 Ų | 95 | 123.4 Ų | 123.4 | 79% | 0.785 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | -15.1 | -172 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 72 | L | 44.1 | Very low | 44.4 | Very low | 149 Ų | 149 | 117 Ų | 117 | 78% | 0.78 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.2 | 3.3 | -179.3 | -90.8 | 135 | 0 | 0 | 0 | 113.9 | | |
| 73 | Q | 43.3 | Very low | 44.3 | Very low | 118 Ų | 118 | 112.7 Ų | 112.7 | 55% | 0.551 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -81.4 | -21.6 | 175.3 | -178.7 | 165.4 | -16.9 | 0 | 0 | 113.4 | A69 S77 | A69-Q73 WeakPolarHBondContact O-CB 3.28Å; A69-Q73 PolarHBondContact O-OE1 3.3Å; Q73-S77 WeakPolarHBondContact O-CB 2.94Å; Q73-S77 PolarHBondContact O-N 3.2Å |
| 74 | A | 46.7 | Very low | 44.3 | Very low | 84 Ų | 84 | 110.8 Ų | 110.8 | 69% | 0.694 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -73.9 | -30.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 75 | G | 46.8 | Very low | 44.5 | Very low | 61 Ų | 61 | 109.6 Ų | 109.6 | 63% | 0.629 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -90.5 | -41.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 76 | A | 42.5 | Very low | 44.8 | Very low | 68 Ų | 68 | 110 Ų | 110 | 56% | 0.562 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -79.4 | -29 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q78 F79 E80 | A76-Q78 PolarHBondContact O-N 3.38Å; A76-F79 PolarHBondContact O-N 3.22Å; A76-E80 PolarHBondContact O-N 3.26Å |
| 77 | S | 43 | Very low | 44.8 | Very low | 68 Ų | 68 | 111.2 Ų | 111.2 | 48% | 0.476 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -62.7 | -22.6 | 175.7 | -178.4 | 0 | 0 | 0 | 0 | 113 | Q73 S81 | Q73-S77 WeakPolarHBondContact O-CB 2.94Å; Q73-S77 PolarHBondContact O-N 3.2Å; S77-S81 WeakPolarHBondContact O-CB 3.11Å; S77-S81 PolarHBondContact O-N 2.73Å |
| 78 | Q | 41.8 | Very low | 45.3 | Very low | 121 Ų | 121 | 112.9 Ų | 112.9 | 57% | 0.565 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -87.1 | -12.2 | 178.9 | -78.9 | -77 | 96.4 | 0 | 0 | 114.7 | A76 S82 | A76-Q78 PolarHBondContact O-N 3.38Å; Q78-S82 PolarHBondContact O-OG 3.46Å; Q78-S82 VanDerWaalsContact O-OG 3.12Å |
| 79 | F | 44.3 | Very low | 46 | Very low | 186 Ų | 186 | 109 Ų | 109 | 82% | 0.816 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -103.9 | -28.5 | 178.2 | -135.9 | -96 | 0 | 0 | 0 | 114.3 | A76 | A76-F79 PolarHBondContact O-N 3.22Å |
| 80 | E | 39.3 | Very low | 46.7 | Very low | 164 Ų | 164 | 115 Ų | 115 | 77% | 0.766 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -76.6 | -32.8 | 168.2 | -164 | -175.3 | 164.4 | 0 | 0 | 111.9 | A76 S82 | A76-E80 PolarHBondContact O-N 3.26Å; E80-S82 VanDerWaalsContact C-N 3.26Å; E80-S82 PolarHBondContact O-N 3.38Å |
| 81 | S | 40.8 | Very low | 47.6 | Very low | 16 Ų | 16 | 115.6 Ų | 115.6 | 11% | 0.112 | 62% | 0.616 | C | S | . | * | H | α-helix | trans | -58.9 | -30.7 | 175.1 | 150.7 | 0 | 0 | 0 | 0 | 114.1 | S77 K85 | S77-S81 WeakPolarHBondContact O-CB 3.11Å; S77-S81 PolarHBondContact O-N 2.73Å; S81-K85 VanDerWaalsContact O-CB 3.23Å; S81-K85 WeakPolarHBondContact O-CB 3.25Å; S81-K85 WeakPolarHBondContact O-CG 3.23Å; S81-K85 PolarHBondContact O-N 3.12Å; S81-K85 VanDerWaalsContact OG-CD 3.25Å; S81-K85 WeakPolarHBondContact OG-CD 2.85Å; S81-K85 WeakPolarHBondContact OG-CE 3.41Å; S81-K85 PolarHBondContact OG-NZ 3.16Å |
| 82 | S | 44.4 | Very low | 48.6 | Very low | 60 Ų | 60 | 119.1 Ų | 119.1 | 42% | 0.42 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -76.6 | -34.8 | -171 | -68.4 | 0 | 0 | 0 | 0 | 112.5 | Q78 E80 L86 | Q78-S82 PolarHBondContact O-OG 3.46Å; Q78-S82 VanDerWaalsContact O-OG 3.12Å; E80-S82 VanDerWaalsContact C-N 3.26Å; E80-S82 PolarHBondContact O-N 3.38Å; S82-L86 WeakPolarHBondContact O-CD1 3.19Å; S82-L86 PolarHBondContact O-N 3.41Å |
| 83 | A | 45.7 | Very low | 50.1 | Low | 77 Ų | 77 | 118.5 Ų | 118.5 | 64% | 0.636 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -74.4 | -36.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K87 | A83-K87 PolarHBondContact O-N 3.31Å |
| 84 | A | 48.7 | Very low | 51.8 | Low | 64 Ų | 64 | 118.6 Ų | 118.6 | 53% | 0.529 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -75.2 | -36.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | K87 R88 | A84-K87 PolarHBondContact O-N 3.35Å; A84-R88 PolarHBondContact O-N 3.05Å |
| 85 | K | 48.9 | Very low | 53.4 | Low | 139 Ų | 139 | 117.6 Ų | 117.6 | 60% | 0.604 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -71.6 | -31.9 | 178.7 | -73.2 | 174.5 | -174.7 | 162.1 | 0 | 112.7 | S81 | S81-K85 VanDerWaalsContact O-CB 3.23Å; S81-K85 WeakPolarHBondContact O-CB 3.25Å; S81-K85 WeakPolarHBondContact O-CG 3.23Å; S81-K85 PolarHBondContact O-N 3.12Å; S81-K85 VanDerWaalsContact OG-CD 3.25Å; S81-K85 WeakPolarHBondContact OG-CD 2.85Å; S81-K85 WeakPolarHBondContact OG-CE 3.41Å; S81-K85 PolarHBondContact OG-NZ 3.16Å |
| 86 | L | 48.4 | Very low | 55.2 | Low | 117 Ų | 117 | 121.9 Ų | 121.9 | 61% | 0.613 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -72.3 | -40.3 | 173.4 | -89.5 | 76.5 | 0 | 0 | 0 | 111.9 | S82 R88 K89 Y90 | S82-L86 WeakPolarHBondContact O-CD1 3.19Å; S82-L86 PolarHBondContact O-N 3.41Å; L86-R88 VanDerWaalsContact C-N 3.33Å; L86-R88 PolarHBondContact O-N 3.47Å; L86-K89 PolarHBondContact O-N 3Å; L86-Y90 PolarHBondContact O-N 3.49Å |
| 87 | K | 51.4 | Low | 57.4 | Low | 168 Ų | 168 | 124.9 Ų | 124.9 | 73% | 0.73 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -62.8 | -37.2 | -177.6 | -153.3 | 177.7 | -172 | -177.9 | 0 | 112.7 | A83 A84 W91 | A83-K87 PolarHBondContact O-N 3.31Å; A84-K87 PolarHBondContact O-N 3.35Å; K87-W91 WeakPolarHBondContact O-CB 3.18Å; K87-W91 PolarHBondContact O-N 3.34Å |
| 88 | R | 53.9 | Low | 59.6 | Low | 171 Ų | 171 | 128.7 Ų | 128.7 | 65% | 0.645 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -70.9 | -33.3 | -179.1 | -151.8 | 159.5 | -173.8 | 141.7 | -1.7 | 113.1 | A84 L86 W91 W92 | A84-R88 PolarHBondContact O-N 3.05Å; L86-R88 VanDerWaalsContact C-N 3.33Å; L86-R88 PolarHBondContact O-N 3.47Å; R88-W91 PolarHBondContact O-N 3.32Å; R88-W92 PolarHBondContact O-N 3.43Å; R88-W92 VanDerWaalsContact O-N 3.16Å |
| 89 | K | 54.7 | Low | 62 | Low | 159 Ų | 159 | 128.4 Ų | 128.4 | 69% | 0.691 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.8 | -37.3 | 178.4 | -153.2 | 175.5 | -171.4 | -178.7 | 0 | 112 | L86 K93 | L86-K89 PolarHBondContact O-N 3Å; K89-K93 VanDerWaalsContact O-CG 3.31Å; K89-K93 WeakPolarHBondContact O-CG 3.35Å; K89-K93 PolarHBondContact O-N 3.26Å |
| 90 | Y | 61.1 | Low | 64.4 | Low | 170 Ų | 170 | 125.1 Ų | 125.1 | 67% | 0.667 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -77.8 | -36.6 | 174.9 | -79.6 | -86.7 | 0 | 0 | 0 | 112.8 | L86 W92 K93 N94 | L86-Y90 PolarHBondContact O-N 3.49Å; Y90-W92 VanDerWaalsContact C-N 3.33Å; Y90-W92 PolarHBondContact O-N 3.02Å; Y90-K93 PolarHBondContact O-N 3.4Å; Y90-N94 WeakPolarHBondContact O-CB 3.37Å; Y90-N94 PolarHBondContact O-N 3.45Å |
| 91 | W | 63.5 | Low | 67 | Low | 173 Ų | 173 | 122.7 Ų | 122.7 | 66% | 0.655 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -59.9 | -42.5 | 178.1 | -166.6 | 64.8 | 0 | 0 | 0 | 112.2 | K87 R88 N94 C95 | K87-W91 WeakPolarHBondContact O-CB 3.18Å; K87-W91 PolarHBondContact O-N 3.34Å; R88-W91 PolarHBondContact O-N 3.32Å; W91-N94 PolarHBondContact O-N 2.97Å; W91-C95 WeakPolarHBondContact O-CB 3.48Å; W91-C95 PolarHBondContact O-N 2.93Å |
| 92 | W | 67.6 | Low | 69.6 | Low | 169 Ų | 169 | 123.8 Ų | 123.8 | 64% | 0.64 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.5 | -38.3 | 177.2 | -79.3 | 26.3 | 0 | 0 | 0 | 113.1 | R88 Y90 C95 K96 | R88-W92 PolarHBondContact O-N 3.43Å; R88-W92 VanDerWaalsContact O-N 3.16Å; Y90-W92 VanDerWaalsContact C-N 3.33Å; Y90-W92 PolarHBondContact O-N 3.02Å; W92-C95 PolarHBondContact O-N 3.39Å; W92-K96 WeakPolarHBondContact O-CB 3.34Å; W92-K96 PolarHBondContact O-N 3.27Å |
| 93 | K | 76.4 | Confident | 72.1 | Confident | 136 Ų | 136 | 123.2 Ų | 123.2 | 59% | 0.591 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.9 | -42.7 | 174.6 | -70 | 177.9 | 92.7 | -178.5 | 0 | 111 | K89 Y90 K96 M97 | K89-K93 VanDerWaalsContact O-CG 3.31Å; K89-K93 WeakPolarHBondContact O-CG 3.35Å; K89-K93 PolarHBondContact O-N 3.26Å; Y90-K93 PolarHBondContact O-N 3.4Å; K93-K96 PolarHBondContact O-N 3.43Å; K93-M97 VanDerWaalsContact O-CG 3.28Å; K93-M97 WeakPolarHBondContact O-CG 3.31Å; K93-M97 PolarHBondContact O-N 3.38Å |
| 94 | N | 77.1 | Confident | 74.5 | Confident | 120 Ų | 120 | 124.2 Ų | 124.2 | 64% | 0.642 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66 | -41.7 | 177.4 | -121 | 22.3 | 0 | 0 | 0 | 112.2 | Y90 W91 M97 M98 | Y90-N94 WeakPolarHBondContact O-CB 3.37Å; Y90-N94 PolarHBondContact O-N 3.45Å; W91-N94 PolarHBondContact O-N 2.97Å; N94-M97 PolarHBondContact O-N 2.94Å; N94-M98 PolarHBondContact O-N 3.29Å |
| 95 | C | 81.5 | Confident | 76.8 | Confident | 62 Ų | 62 | 124.3 Ų | 124.3 | 42% | 0.419 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.5 | -45.4 | 175.2 | -171.9 | 0 | 0 | 0 | 0 | 111.5 | W91 W92 M97 M98 I99 | W91-C95 WeakPolarHBondContact O-CB 3.48Å; W91-C95 PolarHBondContact O-N 2.93Å; W92-C95 PolarHBondContact O-N 3.39Å; C95-M97 VanDerWaalsContact C-N 3.32Å; C95-M97 PolarHBondContact O-N 3.47Å; C95-M98 PolarHBondContact O-N 2.89Å; C95-I99 WeakPolarHBondContact O-CG1 3.37Å; C95-I99 PolarHBondContact O-N 3.49Å |
| 96 | K | 84.8 | Confident | 79.1 | Confident | 151 Ų | 151 | 120.3 Ų | 120.3 | 66% | 0.657 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.1 | -38.4 | 176.7 | -164.6 | 174.8 | 176.9 | 108.9 | 0 | 112.1 | W92 K93 M100 | W92-K96 WeakPolarHBondContact O-CB 3.34Å; W92-K96 PolarHBondContact O-N 3.27Å; K93-K96 PolarHBondContact O-N 3.43Å; K96-M100 VanDerWaalsContact O-CG 3.3Å; K96-M100 WeakPolarHBondContact O-CG 3.41Å; K96-M100 PolarHBondContact O-N 3.33Å |
| 97 | M | 88 | Confident | 81.4 | Confident | 132 Ų | 132 | 120 Ų | 120 | 65% | 0.65 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.1 | -42 | 175 | -71.3 | -64.1 | -68.3 | 0 | 0 | 112.6 | K93 N94 C95 I99 M100 L101 | K93-M97 VanDerWaalsContact O-CG 3.28Å; K93-M97 WeakPolarHBondContact O-CG 3.31Å; K93-M97 PolarHBondContact O-N 3.38Å; N94-M97 PolarHBondContact O-N 2.94Å; C95-M97 VanDerWaalsContact C-N 3.32Å; C95-M97 PolarHBondContact O-N 3.47Å; M97-I99 PolarHBondContact O-N 3.43Å; M97-M100 PolarHBondContact O-N 3.48Å; M97-L101 WeakPolarHBondContact O-CB 3.36Å; M97-L101 PolarHBondContact O-N 2.9Å |
| 98 | M | 88.6 | Confident | 83.5 | Confident | 148 Ų | 148 | 116.3 Ų | 116.3 | 73% | 0.729 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -60.4 | -43.9 | 174.7 | -94.8 | -170.6 | 79.4 | 0 | 0 | 112.2 | N94 C95 L101 G102 | N94-M98 PolarHBondContact O-N 3.29Å; C95-M98 PolarHBondContact O-N 2.89Å; M98-L101 PolarHBondContact O-N 3.27Å; M98-G102 PolarHBondContact O-N 3.42Å |
| 99 | I | 93.3 | Very high | 85.5 | Confident | 114 Ų | 114 | 112.3 Ų | 112.3 | 59% | 0.585 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.1 | -45.1 | 178.6 | -66.1 | 167 | 0 | 0 | 0 | 110.6 | C95 M97 L101 G102 A103 | C95-I99 WeakPolarHBondContact O-CG1 3.37Å; C95-I99 PolarHBondContact O-N 3.49Å; M97-I99 PolarHBondContact O-N 3.43Å; I99-L101 PolarHBondContact O-N 3.08Å; I99-G102 PolarHBondContact O-N 3.37Å; I99-A103 WeakPolarHBondContact O-CB 3.32Å; I99-A103 PolarHBondContact O-N 3.42Å |
| 100 | M | 93.8 | Very high | 87.5 | Confident | 117 Ų | 117 | 107.9 Ų | 107.9 | 58% | 0.576 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.6 | -41.6 | 177.7 | -71.6 | -65.8 | -93.5 | 0 | 0 | 112 | K96 M97 A103 I104 | K96-M100 VanDerWaalsContact O-CG 3.3Å; K96-M100 WeakPolarHBondContact O-CG 3.41Å; K96-M100 PolarHBondContact O-N 3.33Å; M97-M100 PolarHBondContact O-N 3.48Å; M100-A103 PolarHBondContact O-N 2.99Å; M100-I104 WeakPolarHBondContact O-CG1 3.3Å; M100-I104 PolarHBondContact O-N 3.48Å; M100-I104 VanDerWaalsContact O-N 3.08Å |
| 101 | L | 94.4 | Very high | 89.2 | Confident | 113 Ų | 113 | 103.7 Ų | 103.7 | 59% | 0.592 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.6 | -46.2 | 175.9 | -175.4 | 65.9 | 0 | 0 | 0 | 111.4 | M97 M98 I99 A103 I104 C105 | M97-L101 WeakPolarHBondContact O-CB 3.36Å; M97-L101 PolarHBondContact O-N 2.9Å; M98-L101 PolarHBondContact O-N 3.27Å; I99-L101 PolarHBondContact O-N 3.08Å; L101-A103 VanDerWaalsContact C-N 3.32Å; L101-A103 PolarHBondContact O-N 3.33Å; L101-I104 PolarHBondContact O-N 3.41Å; L101-C105 PolarHBondContact O-N 3.02Å; L101-C105 PolarHBondContact O-SG 3.07Å; L101-C105 VanDerWaalsContact O-SG 3.4Å |
| 102 | G | 95.9 | Very high | 90.8 | Very high | 40 Ų | 40 | 100.8 Ų | 100.8 | 41% | 0.412 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60 | -40.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | M98 I99 C105 A106 | M98-G102 PolarHBondContact O-N 3.42Å; I99-G102 PolarHBondContact O-N 3.37Å; G102-C105 PolarHBondContact O-N 2.93Å; G102-A106 WeakPolarHBondContact O-CB 3.28Å; G102-A106 PolarHBondContact O-N 2.96Å |
| 103 | A | 96.5 | Very high | 92.1 | Very high | 48 Ų | 48 | 97.8 Ų | 97.8 | 40% | 0.397 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I99 M100 L101 A106 I107 | I99-A103 WeakPolarHBondContact O-CB 3.32Å; I99-A103 PolarHBondContact O-N 3.42Å; M100-A103 PolarHBondContact O-N 2.99Å; L101-A103 VanDerWaalsContact C-N 3.32Å; L101-A103 PolarHBondContact O-N 3.33Å; A103-A106 PolarHBondContact O-N 3.36Å; A103-I107 VanDerWaalsContact O-CG1 3.3Å; A103-I107 WeakPolarHBondContact O-CG1 3.48Å; A103-I107 PolarHBondContact O-N 2.94Å |
| 104 | I | 96.4 | Very high | 93 | Very high | 97 Ų | 97 | 101.3 Ų | 101.3 | 50% | 0.497 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.7 | -46.6 | 176.8 | -66.5 | 162.9 | 0 | 0 | 0 | 110.5 | M100 L101 A106 I107 I108 | M100-I104 WeakPolarHBondContact O-CG1 3.3Å; M100-I104 PolarHBondContact O-N 3.48Å; M100-I104 VanDerWaalsContact O-N 3.08Å; L101-I104 PolarHBondContact O-N 3.41Å; I104-A106 VanDerWaalsContact C-N 3.33Å; I104-A106 PolarHBondContact O-N 3.4Å; I104-I107 PolarHBondContact O-N 2.94Å; I104-I108 HydrophobicContact CG2-CD1 4.05Å; I104-I108 WeakPolarHBondContact O-CG1 3.3Å; I104-I108 PolarHBondContact O-N 3.28Å; I104-I108 VanDerWaalsContact O-N 3.1Å |
| 105 | C | 96.6 | Very high | 93.6 | Very high | 67 Ų | 67 | 105.9 Ų | 105.9 | 45% | 0.453 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -58.5 | -44.5 | 176 | -71.8 | 0 | 0 | 0 | 0 | 111.9 | L101 G102 I107 I108 V109 | L101-C105 PolarHBondContact O-N 3.02Å; L101-C105 PolarHBondContact O-SG 3.07Å; L101-C105 VanDerWaalsContact O-SG 3.4Å; G102-C105 PolarHBondContact O-N 2.93Å; C105-I107 PolarHBondContact O-N 2.94Å; C105-I108 PolarHBondContact O-N 3.38Å; C105-V109 WeakPolarHBondContact O-CG2 3.38Å; C105-V109 PolarHBondContact O-N 3.24Å |
| 106 | A | 96.6 | Very high | 93.6 | Very high | 54 Ų | 54 | 108.5 Ų | 108.5 | 45% | 0.446 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61.7 | -42.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G102 A103 I104 I108 V109 V110 | G102-A106 WeakPolarHBondContact O-CB 3.28Å; G102-A106 PolarHBondContact O-N 2.96Å; A103-A106 PolarHBondContact O-N 3.36Å; I104-A106 VanDerWaalsContact C-N 3.33Å; I104-A106 PolarHBondContact O-N 3.4Å; A106-I108 PolarHBondContact O-N 2.99Å; A106-V109 PolarHBondContact O-N 3Å; A106-V110 VanDerWaalsContact O-CG2 3.32Å; A106-V110 WeakPolarHBondContact O-CG2 3.35Å; A106-V110 PolarHBondContact O-N 3.06Å |
| 107 | I | 96.8 | Very high | 94 | Very high | 110 Ų | 110 | 106.4 Ų | 106.4 | 56% | 0.564 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61 | -45.9 | 176.9 | -67.8 | 164.7 | 0 | 0 | 0 | 110.8 | A103 I104 C105 V109 V110 V111 | A103-I107 VanDerWaalsContact O-CG1 3.3Å; A103-I107 WeakPolarHBondContact O-CG1 3.48Å; A103-I107 PolarHBondContact O-N 2.94Å; I104-I107 PolarHBondContact O-N 2.94Å; C105-I107 PolarHBondContact O-N 2.94Å; I107-V109 VanDerWaalsContact C-N 3.35Å; I107-V109 PolarHBondContact O-N 3.43Å; I107-V110 PolarHBondContact O-N 3.45Å; I107-V111 HydrophobicContact CG2-CG2 4.49Å; I107-V111 WeakPolarHBondContact O-CG2 3.46Å; I107-V111 PolarHBondContact O-N 3.23Å |
| 108 | I | 96.4 | Very high | 94.3 | Very high | 92 Ų | 92 | 105 Ų | 105 | 47% | 0.472 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -59.9 | -46.3 | 179.2 | -66.6 | 167.5 | 0 | 0 | 0 | 110.6 | I104 C105 A106 V110 V111 I112 | I104-I108 HydrophobicContact CG2-CD1 4.05Å; I104-I108 WeakPolarHBondContact O-CG1 3.3Å; I104-I108 PolarHBondContact O-N 3.28Å; I104-I108 VanDerWaalsContact O-N 3.1Å; C105-I108 PolarHBondContact O-N 3.38Å; A106-I108 PolarHBondContact O-N 2.99Å; I108-V110 VanDerWaalsContact C-N 3.34Å; I108-V110 PolarHBondContact O-N 3.36Å; I108-V111 PolarHBondContact O-N 2.98Å; I108-I112 HydrophobicContact CG2-CD1 3.81Å; I108-I112 HydrophobicContact CG2-CG1 4.46Å; I108-I112 WeakPolarHBondContact O-CG1 3.33Å; I108-I112 PolarHBondContact O-N 3.31Å |
| 109 | V | 96.6 | Very high | 94.6 | Very high | 87 Ų | 87 | 102.6 Ų | 102.6 | 53% | 0.527 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -59.2 | -45.2 | 177.3 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | C105 A106 I107 V111 I112 V113 | C105-V109 WeakPolarHBondContact O-CG2 3.38Å; C105-V109 PolarHBondContact O-N 3.24Å; A106-V109 PolarHBondContact O-N 3Å; I107-V109 VanDerWaalsContact C-N 3.35Å; I107-V109 PolarHBondContact O-N 3.43Å; V109-V111 VanDerWaalsContact C-N 3.33Å; V109-V111 PolarHBondContact O-N 3.43Å; V109-I112 PolarHBondContact O-N 3.46Å; V109-V113 HydrophobicContact CG1-CG2 4.33Å; V109-V113 WeakPolarHBondContact O-CG2 3.35Å; V109-V113 PolarHBondContact O-N 3.4Å |
| 110 | V | 96.6 | Very high | 94.7 | Very high | 66 Ų | 66 | 101.9 Ų | 101.9 | 40% | 0.4 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.1 | -40.3 | 178.3 | 169.5 | 0 | 0 | 0 | 0 | 111.9 | A106 I107 I108 R114 | A106-V110 VanDerWaalsContact O-CG2 3.32Å; A106-V110 WeakPolarHBondContact O-CG2 3.35Å; A106-V110 PolarHBondContact O-N 3.06Å; I107-V110 PolarHBondContact O-N 3.45Å; I108-V110 VanDerWaalsContact C-N 3.34Å; I108-V110 PolarHBondContact O-N 3.36Å; V110-R114 VanDerWaalsContact CG1-NH1 3.31Å; V110-R114 WeakPolarHBondContact O-CB 3.4Å; V110-R114 WeakPolarHBondContact O-CG 3.4Å; V110-R114 PolarHBondContact O-N 2.97Å |
| 111 | V | 96.3 | Very high | 94.8 | Very high | 82 Ų | 82 | 101 Ų | 101 | 50% | 0.497 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.9 | -42.8 | 177 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | I107 I108 V109 R114 R115 | I107-V111 HydrophobicContact CG2-CG2 4.49Å; I107-V111 WeakPolarHBondContact O-CG2 3.46Å; I107-V111 PolarHBondContact O-N 3.23Å; I108-V111 PolarHBondContact O-N 2.98Å; V109-V111 VanDerWaalsContact C-N 3.33Å; V109-V111 PolarHBondContact O-N 3.43Å; V111-R114 PolarHBondContact O-N 3.1Å; V111-R115 WeakPolarHBondContact O-CB 3.11Å; V111-R115 PolarHBondContact O-N 2.9Å |
| 112 | I | 96.2 | Very high | 94.8 | Very high | 111 Ų | 111 | 100.2 Ų | 100.2 | 57% | 0.569 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62.2 | -49.5 | 177.7 | -68.2 | 168.8 | 0 | 0 | 0 | 110.4 | I108 V109 R114 R115 G116 | I108-I112 HydrophobicContact CG2-CD1 3.81Å; I108-I112 HydrophobicContact CG2-CG1 4.46Å; I108-I112 WeakPolarHBondContact O-CG1 3.33Å; I108-I112 PolarHBondContact O-N 3.31Å; V109-I112 PolarHBondContact O-N 3.46Å; I112-R114 VanDerWaalsContact C-N 3.29Å; I112-R114 PolarHBondContact O-N 3.28Å; I112-R115 PolarHBondContact O-N 3.16Å; I112-R115 VanDerWaalsContact O-N 3.16Å; I112-G116 PolarHBondContact O-N 2.99Å |
| 113 | V | 96.3 | Very high | 94.7 | Very high | 106 Ų | 106 | 104.5 Ų | 104.5 | 64% | 0.642 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.5 | -32.5 | -179.8 | 172.6 | 0 | 0 | 0 | 0 | 112.4 | V109 | V109-V113 HydrophobicContact CG1-CG2 4.33Å; V109-V113 WeakPolarHBondContact O-CG2 3.35Å; V109-V113 PolarHBondContact O-N 3.4Å |
| 114 | R | 94.6 | Very high | 94.6 | Very high | 211 Ų | 211 | 108.8 Ų | 108.8 | 80% | 0.796 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -80.1 | -20.5 | 175.8 | -80.3 | -163.5 | 177.3 | 122.2 | -1.8 | 114.2 | V110 V111 I112 | V110-R114 VanDerWaalsContact CG1-NH1 3.31Å; V110-R114 WeakPolarHBondContact O-CB 3.4Å; V110-R114 WeakPolarHBondContact O-CG 3.4Å; V110-R114 PolarHBondContact O-N 2.97Å; V111-R114 PolarHBondContact O-N 3.1Å; I112-R114 VanDerWaalsContact C-N 3.29Å; I112-R114 PolarHBondContact O-N 3.28Å |
| 115 | R | 88.8 | Confident | 94.4 | Very high | 215 Ų | 215 | 109.8 Ų | 109.8 | 81% | 0.811 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -100.6 | -28.2 | -174.1 | -175.6 | 170.2 | 169.5 | 79.1 | 1.5 | 112.9 | V111 I112 | V111-R115 WeakPolarHBondContact O-CB 3.11Å; V111-R115 PolarHBondContact O-N 2.9Å; I112-R115 PolarHBondContact O-N 3.16Å; I112-R115 VanDerWaalsContact O-N 3.16Å |
| 116 | G | 81.5 | Confident | 94.2 | Very high | 117 Ų | 117 | 113.7 Ų | 113.7 | 100% | 1.206 | 63% | 0.63 | S | S | * | * | | | trans | -81.9 | 0 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | I112 | I112-G116 PolarHBondContact O-N 2.99Š|