| 1 | R | 51.1 | Low | 59.8 | Low | 292 Ų | 292 | 158.9 Ų | 158.9 | 100% | 1.102 | 85% | 0.845 | S | S | * | * | | | | 0 | 132.5 | 0 | -74 | -177.5 | 179.2 | -137.2 | -0.5 | 108.1 | K3 | R1-K3 PolarHBondContact O-N 3.46Š|
| 2 | P | 47.1 | Very low | 58.5 | Low | 128 Ų | 128 | 157.1 Ų | 157.1 | 83% | 0.831 | 85% | 0.845 | S | S | * | * | | | trans | -68.7 | 116.5 | -170.3 | 29.3 | -31.8 | 0 | 0 | 0 | 108.7 | A4 | P2-A4 PolarHBondContact O-N 2.66Å; P2-A4 VanDerWaalsContact O-N 3.08Å |
| 3 | K | 50.6 | Low | 57.5 | Low | 199 Ų | 199 | 151.6 Ų | 151.6 | 87% | 0.865 | 83% | 0.834 | S | S | * | * | | | trans | -78.2 | 82.9 | 163.8 | -86.8 | -146.9 | 174.6 | -177.7 | 0 | 107.7 | R1 K5 | R1-K3 PolarHBondContact O-N 3.46Å; K3-K5 PolarHBondContact O-N 2.81Å |
| 4 | A | 59.6 | Low | 56.9 | Low | 90 Ų | 90 | 152.8 Ų | 152.8 | 74% | 0.744 | 84% | 0.838 | S | S | * | * | | | trans | -68.7 | 115.4 | 160.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | P2 L6 | P2-A4 PolarHBondContact O-N 2.66Å; P2-A4 VanDerWaalsContact O-N 3.08Å; A4-L6 PolarHBondContact O-N 3.5Å |
| 5 | K | 67.1 | Low | 56.5 | Low | 187 Ų | 187 | 149.2 Ų | 149.2 | 81% | 0.813 | 83% | 0.825 | S | S | * | * | | | trans | -79.9 | 102.5 | 170.2 | -66.7 | -172.7 | 177.8 | -177.1 | 0 | 107.1 | K3 L7 | K3-K5 PolarHBondContact O-N 2.81Å; K5-L7 PolarHBondContact O-N 3.05Å |
| 6 | L | 69.9 | Low | 55.8 | Low | 172 Ų | 172 | 148.3 Ų | 148.3 | 90% | 0.901 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 117.6 | 166.7 | -87.9 | 154.4 | 0 | 0 | 0 | 107.9 | A4 | A4-L6 PolarHBondContact O-N 3.5Š|
| 7 | L | 69.2 | Low | 55 | Low | 144 Ų | 144 | 152.8 Ų | 152.8 | 75% | 0.754 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 145.7 | 177.2 | -66.2 | 174.2 | 0 | 0 | 0 | 110.1 | K5 R9 | K5-L7 PolarHBondContact O-N 3.05Å; L7-R9 PolarHBondContact O-N 2.77Å |
| 8 | P | 62 | Low | 54.1 | Low | 124 Ų | 124 | 149.3 Ų | 149.3 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 129.2 | -172.8 | -1.7 | 20 | 0 | 0 | 0 | 109.7 | | |
| 9 | R | 66.6 | Low | 53.6 | Low | 241 Ų | 241 | 148 Ų | 148 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | | | trans | -116 | 120.3 | 163.7 | -73.8 | -170 | 170.4 | 99.3 | -2.4 | 107.8 | L7 | L7-R9 PolarHBondContact O-N 2.77Š|
| 10 | G | 59.3 | Low | 52.8 | Low | 77 Ų | 77 | 148.2 Ų | 148.2 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | | | trans | -84.1 | -179.2 | -163.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 11 | A | 55.8 | Low | 52.6 | Low | 94 Ų | 94 | 146.5 Ų | 146.5 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | | | trans | 83.7 | 102.3 | 158.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 12 | T | 43.8 | Very low | 51.8 | Low | 137 Ų | 137 | 136.3 Ų | 136.3 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | | | | 96.9 | 115 | 125.9 | -48.6 | 0 | 0 | 0 | 0 | 120.3 | | |
| 13 | A | 46.1 | Very low | 51.7 | Low | 86 Ų | 86 | 137.5 Ų | 137.5 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | | | trans | 70.7 | 110 | 145 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 14 | L | 48.8 | Very low | 51.4 | Low | 168 Ų | 168 | 134.1 Ų | 134.1 | 88% | 0.88 | 78% | 0.782 | S | S | * | * | | | | 14.5 | 162.4 | 129.7 | -65.2 | 171 | 0 | 0 | 0 | 121.1 | | |
| 15 | P | 50.3 | Low | 50.7 | Low | 99 Ų | 99 | 138.7 Ų | 138.7 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | | | cis | -142.7 | 175.3 | -31.9 | 39.9 | -21.5 | 0 | 0 | 0 | 115.7 | | |
| 16 | L | 46.3 | Very low | 49.5 | Very low | 134 Ų | 134 | 134.8 Ų | 134.8 | 70% | 0.702 | 79% | 0.785 | S | S | * | * | | | trans | 70.6 | 109.8 | 140.4 | -114.1 | 78.4 | 0 | 0 | 0 | 122.1 | | |
| 17 | R | 41.7 | Very low | 48 | Very low | 225 Ų | 225 | 134.4 Ų | 134.4 | 85% | 0.849 | 78% | 0.784 | S | S | * | * | | | | 151.8 | 138.3 | 109.3 | -84.6 | -74.8 | 147.5 | 151.8 | -5 | 113.9 | | |
| 18 | A | 39 | Very low | 46.6 | Very low | 90 Ų | 90 | 132.3 Ų | 132.3 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | | | trans | -72.7 | -169.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 19 | P | 44.2 | Very low | 45.9 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | | | cis | -139.9 | -176.7 | 2.7 | 36.8 | -13 | 0 | 0 | 0 | 117.7 | | |
| 20 | D | 37.2 | Very low | 44.3 | Very low | 151 Ų | 151 | 124.7 Ų | 124.7 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | | | trans | -40 | 174.3 | 170.3 | -128.7 | -3.3 | 0 | 0 | 0 | 117.3 | | |
| 21 | P | 48.1 | Very low | 43.2 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | cis | -156 | 173 | 38.7 | 42.4 | -18.3 | 0 | 0 | 0 | 121.1 | | |
| 22 | A | 35.7 | Very low | 42.2 | Very low | 78 Ų | 78 | 127.2 Ų | 127.2 | 65% | 0.645 | 78% | 0.779 | S | S | * | * | | | trans | 106.6 | 131.4 | 131.1 | 0 | 0 | 0 | 0 | 0 | 123.9 | | |
| 23 | I | 44.1 | Very low | 41.6 | Very low | 153 Ų | 153 | 127.7 Ų | 127.7 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | trans | 100.1 | 134 | 140.8 | 80.9 | 165 | 0 | 0 | 0 | 124.7 | | |
| 24 | T | 44.7 | Very low | 41.3 | Very low | 128 Ų | 128 | 128.4 Ų | 128.4 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | 83.3 | 96.9 | 163.6 | 63.6 | 0 | 0 | 0 | 0 | 116.9 | | |
| 25 | E | 45.6 | Very low | 40.7 | Very low | 187 Ų | 187 | 123.6 Ų | 123.6 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | | | | 68.6 | 132.2 | 70.1 | -154.4 | -165.1 | 105.2 | 0 | 0 | 115.1 | | |
| 26 | S | 42.3 | Very low | 40.3 | Very low | 105 Ų | 105 | 125.8 Ų | 125.8 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | | | trans | 104 | 93.1 | 158.9 | 72 | 0 | 0 | 0 | 0 | 119 | | |
| 27 | D | 38.3 | Very low | 40 | Very low | 164 Ų | 164 | 124 Ų | 124 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | | | | 48.8 | 130.3 | 128.5 | -148.2 | 28.7 | 0 | 0 | 0 | 122.1 | | |
| 28 | S | 38.5 | Very low | 40 | Very low | 100 Ų | 100 | 118.2 Ų | 118.2 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | | | trans | -98.2 | -172.2 | 172.5 | -53 | 0 | 0 | 0 | 0 | 110 | | |
| 29 | P | 47.6 | Very low | 40.5 | Very low | 132 Ų | 132 | 118.4 Ų | 118.4 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | | | cis | -135.6 | 173.6 | -14.8 | 32.3 | -11.2 | 0 | 0 | 0 | 114.6 | | |
| 30 | G | 32.7 | Very low | 40.9 | Very low | 73 Ų | 73 | 118.1 Ų | 118.1 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | | | trans | 140.4 | 114.5 | 148.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 31 | V | 37.7 | Very low | 41.4 | Very low | 159 Ų | 159 | 120.9 Ų | 120.9 | 96% | 0.964 | 80% | 0.799 | S | S | * | * | | | trans | 43.8 | 120 | 140.6 | -175.7 | 0 | 0 | 0 | 0 | 121.4 | | |
| 32 | G | 33.1 | Very low | 41.6 | Very low | 65 Ų | 65 | 119 Ų | 119 | 67% | 0.67 | 80% | 0.801 | S | S | * | * | | | trans | 135.3 | 118.3 | 136.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 33 | V | 33 | Very low | 42.3 | Very low | 147 Ų | 147 | 124.2 Ų | 124.2 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | | | trans | 75.5 | 131.3 | 134.5 | -176.1 | 0 | 0 | 0 | 0 | 123.1 | | |
| 34 | A | 38.4 | Very low | 42.7 | Very low | 101 Ų | 101 | 126.5 Ų | 126.5 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | | | trans | 65.8 | 144.7 | 154.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 35 | G | 37.3 | Very low | 43.2 | Very low | 66 Ų | 66 | 128.9 Ų | 128.9 | 68% | 0.68 | 81% | 0.81 | S | S | * | * | | | cis | 166.9 | 178.7 | 10 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 36 | V | 40.2 | Very low | 43.2 | Very low | 146 Ų | 146 | 126 Ų | 126 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | | | trans | 78.3 | 98.2 | 166.3 | -171 | 0 | 0 | 0 | 0 | 115.6 | | |
| 37 | A | 40.7 | Very low | 43.3 | Very low | 95 Ų | 95 | 124.8 Ų | 124.8 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | | | | 85.6 | 142.5 | 69.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 38 | A | 42.7 | Very low | 43.5 | Very low | 105 Ų | 105 | 120.8 Ų | 120.8 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | | | trans | 96.8 | 114.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 39 | A | 48.2 | Very low | 44.1 | Very low | 94 Ų | 94 | 122.1 Ų | 122.1 | 78% | 0.777 | 81% | 0.807 | S | S | * | * | | | trans | -82.8 | -165.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 40 | P | 54.1 | Low | 44.6 | Very low | 119 Ų | 119 | 127.6 Ų | 127.6 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | | | | -115.2 | 161.6 | -83.3 | 33.9 | -17.8 | 0 | 0 | 0 | 112.7 | | |
| 41 | K | 46 | Very low | 45.5 | Very low | 208 Ų | 208 | 132 Ų | 132 | 90% | 0.904 | 82% | 0.816 | S | S | * | * | | | trans | -139.3 | 118.5 | 166.1 | -67.8 | -85.2 | -171.6 | 175.8 | 0 | 105.1 | | |
| 42 | G | 52.4 | Low | 46.1 | Very low | 75 Ų | 75 | 127.9 Ų | 127.9 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | | | cis | 82.6 | 99.7 | 39.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 43 | K | 51.2 | Low | 47.1 | Very low | 187 Ų | 187 | 131.7 Ų | 131.7 | 81% | 0.813 | 82% | 0.815 | S | S | * | * | | | trans | 139.6 | 100.1 | 152.5 | -172.6 | 171.5 | -179.1 | -176.3 | 0 | 113.8 | | |
| 44 | E | 51.2 | Low | 48 | Very low | 200 Ų | 200 | 129.4 Ų | 129.4 | 94% | 0.935 | 81% | 0.812 | S | S | * | * | | | trans | -131.8 | 120.2 | 142.5 | 175.5 | 166.5 | 68.4 | 0 | 0 | 107.5 | | |
| 45 | R | 56.4 | Low | 48.2 | Very low | 178 Ų | 178 | 128 Ų | 128 | 67% | 0.672 | 81% | 0.808 | S | S | * | * | | | trans | -124.7 | 145.6 | -178.3 | -171.1 | -170 | 89 | -139.9 | -0.4 | 106.1 | | |
| 46 | N | 44.5 | Very low | 48.7 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 67% | 0.674 | 82% | 0.815 | S | S | * | * | | | trans | 80.4 | 134.2 | 166.1 | -37.2 | -78.7 | 0 | 0 | 0 | 114.5 | | |
| 47 | G | 45 | Very low | 49 | Very low | 80 Ų | 80 | 130.4 Ų | 130.4 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | | | cis | 170.8 | 127 | 4.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 48 | G | 43.3 | Very low | 49.5 | Very low | 81 Ų | 81 | 134.2 Ų | 134.2 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | | | trans | -128.4 | 108.3 | 173 | 0 | 0 | 0 | 0 | 0 | 108.5 | R50 | G48-R50 PolarHBondContact O-N 2.97Š|
| 49 | T | 50.2 | Low | 50 | Low | 127 Ų | 127 | 136.3 Ų | 136.3 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | | | trans | -61.5 | 114.3 | -174.1 | 5.9 | 0 | 0 | 0 | 0 | 112.9 | L51 | T49-L51 HydrophobicContact CG2-CG 4.32Š|
| 50 | R | 58.4 | Low | 49.8 | Very low | 248 Ų | 248 | 135.1 Ų | 135.1 | 94% | 0.936 | 81% | 0.806 | S | S | * | * | | | trans | -116.6 | 104.6 | 144.2 | -76.5 | -171.1 | 176.1 | -99 | 0.5 | 106.7 | G48 | G48-R50 PolarHBondContact O-N 2.97Š|
| 51 | L | 51.4 | Low | 49.9 | Very low | 166 Ų | 166 | 137.1 Ų | 137.1 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | | | trans | -69.4 | 131.8 | -179.2 | -74.3 | 161.7 | 0 | 0 | 0 | 110.1 | T49 | T49-L51 HydrophobicContact CG2-CG 4.32Š|
| 52 | G | 49.5 | Very low | 49.8 | Very low | 71 Ų | 71 | 135.6 Ų | 135.6 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 113.2 | 93.9 | 147.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 53 | V | 54.6 | Low | 49.6 | Very low | 145 Ų | 145 | 140.2 Ų | 140.2 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | | | trans | 76.3 | 92.9 | 157.5 | -179.3 | 0 | 0 | 0 | 0 | 117.5 | | |
| 54 | A | 51.4 | Low | 49.5 | Very low | 100 Ų | 100 | 133.6 Ų | 133.6 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | | | trans | 47.4 | 95.8 | 139.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 55 | G | 44.2 | Very low | 48.9 | Very low | 72 Ų | 72 | 134.4 Ų | 134.4 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | | | | 88.3 | 104.4 | 122 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 56 | V | 47.1 | Very low | 48.5 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 84% | 0.842 | 79% | 0.793 | S | S | * | * | | | trans | 83.1 | 118 | 152 | -175.1 | 0 | 0 | 0 | 0 | 117.1 | | |
| 57 | P | 46.8 | Very low | 48.7 | Very low | 123 Ų | 123 | 128.9 Ų | 128.9 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | | | trans | -74.6 | 141.5 | 169.8 | 30 | -31.7 | 0 | 0 | 0 | 112.7 | | |
| 58 | E | 50.2 | Low | 48.9 | Very low | 174 Ų | 174 | 130.6 Ų | 130.6 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | | | trans | -20 | 127 | 166.5 | -73.4 | -101.6 | 87.3 | 0 | 0 | 117.9 | | |
| 59 | D | 54.1 | Low | 49 | Very low | 150 Ų | 150 | 131.1 Ų | 131.1 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | | | | 30.4 | 99 | 120.8 | -158.4 | 41.7 | 0 | 0 | 0 | 116.9 | | |
| 60 | G | 43.5 | Very low | 49.2 | Very low | 68 Ų | 68 | 134.3 Ų | 134.3 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | | | trans | -146.4 | 85.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | Q62 | G60-Q62 PolarHBondContact O-N 2.77Š|
| 61 | E | 55.8 | Low | 48.9 | Very low | 162 Ų | 162 | 126.7 Ų | 126.7 | 76% | 0.757 | 77% | 0.771 | S | S | * | * | | | trans | -34.1 | 88.3 | 163.6 | 48.1 | 169.5 | 140.8 | 0 | 0 | 113.9 | | |
| 62 | Q | 43.9 | Very low | 49.2 | Very low | 175 Ų | 175 | 124.4 Ų | 124.4 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | trans | -133.2 | 101.4 | 139.6 | -74.8 | -62.5 | -65.9 | 0 | 0 | 105 | G60 G64 | G60-Q62 PolarHBondContact O-N 2.77Å; Q62-G64 PolarHBondContact O-N 3.28Å |
| 63 | L | 49.2 | Very low | 49.5 | Very low | 173 Ų | 173 | 124.7 Ų | 124.7 | 91% | 0.906 | 76% | 0.759 | S | S | * | * | | | trans | -51.9 | 82.4 | 160.9 | -95.7 | 83.5 | 0 | 0 | 0 | 107.7 | W65 | L63-W65 PolarHBondContact O-N 2.89Š|
| 64 | G | 48.3 | Very low | 49.7 | Very low | 48 Ų | 48 | 124 Ų | 124 | 50% | 0.495 | 76% | 0.755 | S | S | . | * | | | trans | -61 | 106.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 105.3 | Q62 S66 | Q62-G64 PolarHBondContact O-N 3.28Å; G64-S66 PolarHBondContact O-N 2.91Å |
| 65 | W | 39.6 | Very low | 50.1 | Low | 216 Ų | 216 | 125.8 Ų | 125.8 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | | | trans | 7.8 | 95.5 | 156.9 | 54.4 | -79 | 0 | 0 | 0 | 112 | L63 S67 | L63-W65 PolarHBondContact O-N 2.89Å; W65-S67 VanDerWaalsContact C-N 3.29Å; W65-S67 PolarHBondContact O-N 2.84Å |
| 66 | S | 48.5 | Very low | 50.6 | Low | 114 Ų | 114 | 128 Ų | 128 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | | | trans | -61.2 | 102.4 | 171.9 | 120.3 | 0 | 0 | 0 | 0 | 106.1 | G64 | G64-S66 PolarHBondContact O-N 2.91Š|
| 67 | S | 48 | Very low | 51.1 | Low | 74 Ų | 74 | 126 Ų | 126 | 52% | 0.517 | 74% | 0.74 | S | S | . | * | | | trans | -55.2 | 132.7 | 162.2 | -160.5 | 0 | 0 | 0 | 0 | 105.9 | W65 A69 | W65-S67 VanDerWaalsContact C-N 3.29Å; W65-S67 PolarHBondContact O-N 2.84Å; S67-A69 PolarHBondContact O-N 3.06Å |
| 68 | P | 49.8 | Very low | 52 | Low | 117 Ų | 117 | 127 Ų | 127 | 76% | 0.76 | 74% | 0.744 | S | S | * | * | | | trans | -65.9 | 82.3 | 175 | -15.7 | 29.3 | 0 | 0 | 0 | 108.5 | K70 | P68-K70 VanDerWaalsContact C-N 3.28Å; P68-K70 PolarHBondContact O-N 2.86Å |
| 69 | A | 45.4 | Very low | 52.3 | Low | 91 Ų | 91 | 121.3 Ų | 121.3 | 75% | 0.752 | 72% | 0.717 | S | S | * | * | | | trans | -69.7 | 93.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | S67 A71 | S67-A69 PolarHBondContact O-N 3.06Å; A69-A71 VanDerWaalsContact C-N 3.34Å; A69-A71 PolarHBondContact O-N 2.65Å |
| 70 | K | 53.7 | Low | 52.4 | Low | 194 Ų | 194 | 122.2 Ų | 122.2 | 84% | 0.843 | 72% | 0.722 | S | S | * | * | | | trans | 38 | 58.1 | 168.9 | -68.5 | -165 | 171.9 | -162.3 | 0 | 113.9 | P68 V72 | P68-K70 VanDerWaalsContact C-N 3.28Å; P68-K70 PolarHBondContact O-N 2.86Å; K70-V72 PolarHBondContact O-N 3.43Å |
| 71 | A | 52 | Low | 53.4 | Low | 88 Ų | 88 | 125 Ų | 125 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | | | trans | -71.8 | 86.9 | 156.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | A69 A73 | A69-A71 VanDerWaalsContact C-N 3.34Å; A69-A71 PolarHBondContact O-N 2.65Å; A71-A73 PolarHBondContact O-N 2.82Å |
| 72 | V | 57 | Low | 54.5 | Low | 118 Ų | 118 | 127.7 Ų | 127.7 | 72% | 0.715 | 73% | 0.726 | S | S | * | * | | | trans | -64.5 | 89.5 | 161.2 | 174.5 | 0 | 0 | 0 | 0 | 104.9 | K70 V74 | K70-V72 PolarHBondContact O-N 3.43Å; V72-V74 VanDerWaalsContact C-N 3.29Å; V72-V74 HydrophobicContact CG1-CG2 4.1Å; V72-V74 PolarHBondContact O-N 2.84Å |
| 73 | A | 56.7 | Low | 56.3 | Low | 77 Ų | 77 | 124.3 Ų | 124.3 | 64% | 0.636 | 72% | 0.717 | S | S | * | * | | | trans | -63.3 | 97.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | A71 L75 | A71-A73 PolarHBondContact O-N 2.82Å; A73-L75 HydrophobicContact CB-CG 4.46Å; A73-L75 PolarHBondContact O-N 2.78Å |
| 74 | V | 58.5 | Low | 57.8 | Low | 131 Ų | 131 | 121.7 Ų | 121.7 | 79% | 0.794 | 71% | 0.71 | S | S | * | * | | | trans | -71.9 | 77.3 | 169.8 | -177.1 | 0 | 0 | 0 | 0 | 106.4 | V72 | V72-V74 VanDerWaalsContact C-N 3.29Å; V72-V74 HydrophobicContact CG1-CG2 4.1Å; V72-V74 PolarHBondContact O-N 2.84Å |
| 75 | L | 59.4 | Low | 59.2 | Low | 138 Ų | 138 | 124 Ų | 124 | 72% | 0.723 | 71% | 0.714 | S | S | * | * | | | trans | -76 | 139 | 163.6 | -66.1 | 176.7 | 0 | 0 | 0 | 107.5 | A73 T77 | A73-L75 HydrophobicContact CB-CG 4.46Å; A73-L75 PolarHBondContact O-N 2.78Å; L75-T77 PolarHBondContact O-N 2.72Å |
| 76 | P | 55.1 | Low | 61.1 | Low | 117 Ų | 117 | 121.5 Ų | 121.5 | 76% | 0.76 | 72% | 0.716 | S | S | * | * | | | trans | -61.5 | 102.6 | 175.6 | 23.1 | -30.7 | 0 | 0 | 0 | 108.8 | T78 | P76-T78 PolarHBondContact O-N 3.43Å; P76-T78 VanDerWaalsContact O-N 3.07Å |
| 77 | T | 58.5 | Low | 62.4 | Low | 99 Ų | 99 | 122.8 Ų | 122.8 | 61% | 0.607 | 71% | 0.712 | S | S | * | * | | | trans | -66.5 | 104.9 | 171.1 | -175.7 | 0 | 0 | 0 | 0 | 107.5 | L75 H79 | L75-T77 PolarHBondContact O-N 2.72Å; T77-H79 HydrophobicContact CG2-CB 4.03Å; T77-H79 WeakPolarHBondContact O-CB 3.01Å; T77-H79 PolarHBondContact O-N 3.02Å; T77-H79 WeakPolarHBondContact OG1-CB 3.34Å |
| 78 | T | 64.4 | Low | 63.6 | Low | 143 Ų | 143 | 123.4 Ų | 123.4 | 88% | 0.877 | 72% | 0.717 | S | S | * | * | | | trans | -71.3 | 94.5 | 173.9 | 54.8 | 0 | 0 | 0 | 0 | 107.4 | P76 | P76-T78 PolarHBondContact O-N 3.43Å; P76-T78 VanDerWaalsContact O-N 3.07Å |
| 79 | H | 56.1 | Low | 64.7 | Low | 54 Ų | 54 | 124 Ų | 124 | 25% | 0.25 | 72% | 0.721 | C | S | . | * | | | trans | -147.1 | 116.9 | -156.4 | -167.5 | -113.1 | 0 | 0 | 0 | 114.6 | T77 H81 V83 | T77-H79 HydrophobicContact CG2-CB 4.03Å; T77-H79 WeakPolarHBondContact O-CB 3.01Å; T77-H79 PolarHBondContact O-N 3.02Å; T77-H79 WeakPolarHBondContact OG1-CB 3.34Å; H79-H81 AromaticContact CD2-CD2 3.07Å; H79-H81 PolarHBondContact CD2-CD2 2.8Å; H79-H81 AromaticContact CD2-CG 3.57Å; H79-H81 WeakPolarHBondContact CE1-CA 3.32Å; H79-H81 WeakPolarHBondContact CE1-CB 3.12Å; H79-H81 AromaticContact CE1-CD2 3.97Å; H79-H81 AromaticContact CE1-CG 3.81Å; H79-H81 PolarHBondContact CE1-N 2.84Å; H79-H81 VanDerWaalsContact CE1-N 3.32Å; H79-H81 PolarHBondContact CE1-O 2.87Å; H79-H81 VanDerWaalsContact CG-N 3.32Å; H79-H81 WeakPolarHBondContact ND1-CA 3.43Å; H79-H81 PolarHBondContact ND1-N 3.33Å; H79-H81 PolarHBondContact ND1-O 3.04Å; H79-H81 WeakPolarHBondContact NE2-CB 3.38Å; H79-H81 AromaticContact NE2-CD2 3Å; H79-H81 PolarHBondContact NE2-CD2 3.19Å; H79-H81 AromaticContact NE2-CG 3.26Å; H79-H81 VanDerWaalsContact NE2-CG 3.26Å; H79-V83 PolarHBondContact CE1-O 2.95Å; H79-V83 PolarHBondContact NE2-O 2.85Å |
| 80 | N | 57.9 | Low | 65.5 | Low | 169 Ų | 169 | 124.1 Ų | 124.1 | 90% | 0.904 | 71% | 0.712 | S | S | * | * | | | trans | -99.4 | 46.7 | 155.3 | -80.1 | -71.2 | 0 | 0 | 0 | 110.4 | | |
| 81 | H | 64.1 | Low | 66.1 | Low | 128 Ų | 128 | 122.4 Ų | 122.4 | 59% | 0.593 | 71% | 0.711 | S | S | * | * | | | trans | -118.4 | 156.6 | 158.5 | -25.2 | -63.5 | 0 | 0 | 0 | 108 | H79 | H79-H81 AromaticContact CD2-CD2 3.07Å; H79-H81 PolarHBondContact CD2-CD2 2.8Å; H79-H81 AromaticContact CD2-CG 3.57Å; H79-H81 WeakPolarHBondContact CE1-CA 3.32Å; H79-H81 WeakPolarHBondContact CE1-CB 3.12Å; H79-H81 AromaticContact CE1-CD2 3.97Å; H79-H81 AromaticContact CE1-CG 3.81Å; H79-H81 PolarHBondContact CE1-N 2.84Å; H79-H81 VanDerWaalsContact CE1-N 3.32Å; H79-H81 PolarHBondContact CE1-O 2.87Å; H79-H81 VanDerWaalsContact CG-N 3.32Å; H79-H81 WeakPolarHBondContact ND1-CA 3.43Å; H79-H81 PolarHBondContact ND1-N 3.33Å; H79-H81 PolarHBondContact ND1-O 3.04Å; H79-H81 WeakPolarHBondContact NE2-CB 3.38Å; H79-H81 AromaticContact NE2-CD2 3Å; H79-H81 PolarHBondContact NE2-CD2 3.19Å; H79-H81 AromaticContact NE2-CG 3.26Å; H79-H81 VanDerWaalsContact NE2-CG 3.26Å |
| 82 | K | 79.4 | Confident | 66.8 | Low | 217 Ų | 217 | 125.9 Ų | 125.9 | 94% | 0.943 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -96.5 | -2.5 | -179.9 | -72.4 | 173.1 | 179.5 | -78.1 | 0 | 111.9 | | |
| 83 | V | 81.1 | Confident | 66.9 | Low | 105 Ų | 105 | 128.4 Ų | 128.4 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -110.9 | 126.4 | -177.6 | -177.9 | 0 | 0 | 0 | 0 | 109.3 | H79 V85 | H79-V83 PolarHBondContact CE1-O 2.95Å; H79-V83 PolarHBondContact NE2-O 2.85Å; V83-V85 PolarHBondContact O-N 2.83Å; V83-V85 VanDerWaalsContact O-N 3.17Å |
| 84 | P | 80.2 | Confident | 66.8 | Low | 118 Ų | 118 | 129.4 Ų | 129.4 | 77% | 0.766 | 71% | 0.712 | S | S | * | * | | | trans | -64.2 | 117.2 | 176.3 | 24.4 | -31 | 0 | 0 | 0 | 110.2 | L86 | P84-L86 PolarHBondContact O-N 3.34Š|
| 85 | V | 77.1 | Confident | 66.7 | Low | 95 Ų | 95 | 127.4 Ų | 127.4 | 58% | 0.576 | 70% | 0.702 | S | S | * | * | | | trans | -83.5 | 112.1 | 173.1 | -180 | 0 | 0 | 0 | 0 | 108.3 | V83 I87 | V83-V85 PolarHBondContact O-N 2.83Å; V83-V85 VanDerWaalsContact O-N 3.17Å; V85-I87 HydrophobicContact CG1-CG1 4.23Å; V85-I87 PolarHBondContact O-N 3.07Å |
| 86 | L | 80.6 | Confident | 66.6 | Low | 165 Ų | 165 | 124.3 Ų | 124.3 | 86% | 0.864 | 70% | 0.697 | S | S | * | * | | | trans | -78.8 | 102.1 | 174.2 | -156.6 | 79.9 | 0 | 0 | 0 | 108.5 | P84 S88 | P84-L86 PolarHBondContact O-N 3.34Å; L86-S88 PolarHBondContact O-N 2.86Å |
| 87 | I | 75.9 | Confident | 66.7 | Low | 140 Ų | 140 | 125.2 Ų | 125.2 | 72% | 0.718 | 70% | 0.695 | S | S | * | * | | | trans | -82.1 | 112.3 | 172.3 | -53.8 | 177.7 | 0 | 0 | 0 | 106.7 | V85 | V85-I87 HydrophobicContact CG1-CG1 4.23Å; V85-I87 PolarHBondContact O-N 3.07Å |
| 88 | S | 72.6 | Confident | 66.5 | Low | 87 Ų | 87 | 125.8 Ų | 125.8 | 61% | 0.608 | 70% | 0.698 | S | S | * | * | | | trans | -52.2 | 137.4 | 174.5 | -62.3 | 0 | 0 | 0 | 0 | 109.6 | L86 T90 | L86-S88 PolarHBondContact O-N 2.86Å; S88-T90 PolarHBondContact O-N 2.84Å |
| 89 | P | 72.8 | Confident | 66.5 | Low | 130 Ų | 130 | 124.1 Ų | 124.1 | 84% | 0.844 | 68% | 0.68 | S | S | * | * | | | trans | -54 | 109.8 | 175.3 | -23.8 | 33 | 0 | 0 | 0 | 108.8 | L91 | P89-L91 PolarHBondContact O-N 3.07Š|
| 90 | T | 61.8 | Low | 67.5 | Low | 94 Ų | 94 | 126.2 Ų | 126.2 | 58% | 0.577 | 69% | 0.693 | S | S | * | * | | | trans | -68.9 | 125 | 172.1 | 55.9 | 0 | 0 | 0 | 0 | 105.9 | S88 K92 | S88-T90 PolarHBondContact O-N 2.84Å; T90-K92 PolarHBondContact O-N 2.86Å; T90-K92 WeakPolarHBondContact OG1-CE 3.24Å; T90-K92 VanDerWaalsContact OG1-CG 3.24Å; T90-K92 WeakPolarHBondContact OG1-CG 3.33Å |
| 91 | L | 67.2 | Low | 68.7 | Low | 157 Ų | 157 | 122.5 Ų | 122.5 | 82% | 0.822 | 67% | 0.672 | S | S | * | * | | | trans | -67 | 70.2 | 176.2 | -174.7 | 70.9 | 0 | 0 | 0 | 108.3 | P89 H93 | P89-L91 PolarHBondContact O-N 3.07Å; L91-H93 PolarHBondContact O-N 3.3Å; L91-H93 VanDerWaalsContact O-N 3.15Å |
| 92 | K | 67.2 | Low | 69.9 | Low | 161 Ų | 161 | 117.2 Ų | 117.2 | 70% | 0.7 | 65% | 0.652 | S | S | * | * | | | trans | -82.7 | 94.1 | 176 | -62.1 | -62.2 | -162.7 | 176.7 | 0 | 105.8 | T90 | T90-K92 PolarHBondContact O-N 2.86Å; T90-K92 WeakPolarHBondContact OG1-CE 3.24Å; T90-K92 VanDerWaalsContact OG1-CG 3.24Å; T90-K92 WeakPolarHBondContact OG1-CG 3.33Å |
| 93 | H | 58.4 | Low | 70.4 | Confident | 171 Ų | 171 | 111.1 Ų | 111.1 | 79% | 0.792 | 63% | 0.633 | S | S | * | * | | | trans | 48.9 | 89.5 | 165 | -68.6 | -85.5 | 0 | 0 | 0 | 114.6 | L91 P95 | L91-H93 PolarHBondContact O-N 3.3Å; L91-H93 VanDerWaalsContact O-N 3.15Å; H93-P95 WeakPolarHBondContact O-CD 3.34Å |
| 94 | T | 54.3 | Low | 70.8 | Confident | 98 Ų | 98 | 108.9 Ų | 108.9 | 60% | 0.601 | 62% | 0.618 | S | S | * | * | | | trans | -53 | 124.5 | 143.2 | -9.7 | 0 | 0 | 0 | 0 | 106.5 | A96 | T94-A96 PolarHBondContact O-N 2.77Š|
| 95 | P | 57.3 | Low | 71.3 | Confident | 89 Ų | 89 | 109.5 Ų | 109.5 | 58% | 0.578 | 63% | 0.625 | S | S | * | * | | | trans | -52.3 | 123.6 | 172.7 | -23.3 | 32.5 | 0 | 0 | 0 | 107.4 | H93 D97 V98 | H93-P95 WeakPolarHBondContact O-CD 3.34Å; P95-D97 PolarHBondContact O-N 3.29Å; P95-V98 PolarHBondContact O-N 2.98Å |
| 96 | A | 56.7 | Low | 72.1 | Confident | 74 Ų | 74 | 112.6 Ų | 112.6 | 61% | 0.612 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | 4.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T94 | T94-A96 PolarHBondContact O-N 2.77Š|
| 97 | D | 56.7 | Low | 72.6 | Confident | 136 Ų | 136 | 107.2 Ų | 107.2 | 73% | 0.727 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | 15.7 | -175.8 | -52.6 | -43.7 | 0 | 0 | 0 | 113 | P95 Q99 | P95-D97 PolarHBondContact O-N 3.29Å; D97-Q99 PolarHBondContact O-N 3.08Å |
| 98 | V | 54.4 | Low | 73.3 | Confident | 110 Ų | 110 | 104.8 Ų | 104.8 | 67% | 0.667 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -66 | 88.7 | 149.7 | -176 | 0 | 0 | 0 | 0 | 105 | P95 L100 | P95-V98 PolarHBondContact O-N 2.98Å; V98-L100 VanDerWaalsContact C-N 3.35Å; V98-L100 PolarHBondContact O-N 2.83Å |
| 99 | Q | 65 | Low | 74.1 | Confident | 109 Ų | 109 | 108.4 Ų | 108.4 | 51% | 0.509 | 61% | 0.611 | S | S | . | * | | | trans | -44.4 | 103.2 | 174.5 | -67.5 | 170.4 | 66.6 | 0 | 0 | 106.7 | D97 I101 | D97-Q99 PolarHBondContact O-N 3.08Å; Q99-I101 VanDerWaalsContact C-N 3.34Å; Q99-I101 HydrophobicContact CB-CD1 4.36Å; Q99-I101 WeakPolarHBondContact O-CD1 3.35Å; Q99-I101 WeakPolarHBondContact O-CG1 3.39Å; Q99-I101 PolarHBondContact O-N 3.32Å |
| 100 | L | 76.7 | Confident | 74.7 | Confident | 98 Ų | 98 | 107 Ų | 107 | 51% | 0.513 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.4 | 95.7 | -169.4 | 171.7 | 49.4 | 0 | 0 | 0 | 106.8 | V98 G102 L112 | V98-L100 VanDerWaalsContact C-N 3.35Å; V98-L100 PolarHBondContact O-N 2.83Å; L100-G102 PolarHBondContact O-N 2.61Å; L100-L112 HydrophobicContact CB-CB 4.01Å; L100-L112 HydrophobicContact CD2-CB 4.48Å; L100-L112 HydrophobicContact CD2-CD2 3.53Å; L100-L112 HydrophobicContact CG-CB 4Å; L100-L112 HydrophobicContact CG-CD2 3.93Å; L100-L112 WeakPolarHBondContact O-CA 3.26Å; L100-L112 WeakPolarHBondContact O-CB 3.39Å; L100-L112 PolarHBondContact O-N 2.85Å |
| 101 | I | 83.9 | Confident | 75.9 | Confident | 90 Ų | 90 | 108.1 Ų | 108.1 | 46% | 0.462 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.5 | 109.8 | -178.7 | -57.5 | 112 | 0 | 0 | 0 | 108.2 | Q99 K109 F110 | Q99-I101 VanDerWaalsContact C-N 3.34Å; Q99-I101 HydrophobicContact CB-CD1 4.36Å; Q99-I101 WeakPolarHBondContact O-CD1 3.35Å; Q99-I101 WeakPolarHBondContact O-CG1 3.39Å; Q99-I101 PolarHBondContact O-N 3.32Å; I101-K109 HydrophobicContact CG2-CB 3.95Å; I101-K109 HydrophobicContact CG2-CD 4.42Å; I101-K109 HydrophobicContact CG2-CG 4.21Å; I101-F110 CarbonylContact C-O 3.48Å; I101-F110 WeakPolarHBondContact CA-O 3.44Å |
| 102 | G | 87.4 | Confident | 76.4 | Confident | 17 Ų | 17 | 104.7 Ų | 104.7 | 18% | 0.175 | 57% | 0.57 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.7 | 156.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L100 K109 F110 | L100-G102 PolarHBondContact O-N 2.61Å; G102-K109 CarbonylContact O-C 3.55Å; G102-K109 WeakPolarHBondContact O-CA 3.1Å; G102-F110 PolarHBondContact N-O 3.27Å; G102-F110 PolarHBondContact O-N 3.11Å |
| 103 | T | 90.9 | Very high | 76.9 | Confident | 90 Ų | 90 | 101.8 Ų | 101.8 | 55% | 0.552 | 56% | 0.562 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -119.4 | 130.4 | 167.3 | 35.5 | 0 | 0 | 0 | 0 | 108.7 | N108 K109 | T103-N108 CarbonylContact C-O 3.56Å; T103-N108 VanDerWaalsContact CA-O 3.24Å; T103-N108 WeakPolarHBondContact CA-O 3.14Å; T103-K109 HydrophobicContact CG2-CG 3.76Å |
| 104 | D | 89.9 | Confident | 77.2 | Confident | 58 Ų | 58 | 95.9 Ų | 95.9 | 31% | 0.31 | 54% | 0.54 | S | S | . | . | | | trans | -75.8 | 175.5 | 173.4 | 73.2 | 10.2 | 0 | 0 | 0 | 111.4 | Q106 G107 N108 | D104-Q106 PolarHBondContact O-N 3.07Å; D104-Q106 VanDerWaalsContact OD1-C 3.23Å; D104-Q106 VanDerWaalsContact OD1-CA 3.26Å; D104-Q106 WeakPolarHBondContact OD1-CA 3.42Å; D104-Q106 WeakPolarHBondContact OD1-CB 3.42Å; D104-Q106 PolarHBondContact OD1-N 3.07Å; D104-G107 PolarHBondContact O-N 3.17Å; D104-G107 PolarHBondContact OD1-N 3.47Å; D104-N108 PolarHBondContact N-O 2.85Å; D104-N108 PolarHBondContact OD1-N 3.22Å; D104-N108 WeakPolarHBondContact OD2-CB 3.24Å; D104-N108 PolarHBondContact OD2-ND2 2.68Å |
| 105 | S | 90.1 | Very high | 77.6 | Confident | 131 Ų | 131 | 97.5 Ų | 97.5 | 92% | 0.916 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -15.1 | 177.5 | 55.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 106 | Q | 94.3 | Very high | 77.6 | Confident | 159 Ų | 159 | 100.6 Ų | 100.6 | 74% | 0.743 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -2.7 | 176.3 | -55.8 | -176.4 | -54.5 | 0 | 0 | 111.8 | D104 | D104-Q106 PolarHBondContact O-N 3.07Å; D104-Q106 VanDerWaalsContact OD1-C 3.23Å; D104-Q106 VanDerWaalsContact OD1-CA 3.26Å; D104-Q106 WeakPolarHBondContact OD1-CA 3.42Å; D104-Q106 WeakPolarHBondContact OD1-CB 3.42Å; D104-Q106 PolarHBondContact OD1-N 3.07Å |
| 107 | G | 90.3 | Very high | 77.5 | Confident | 53 Ų | 53 | 104.4 Ų | 104.4 | 55% | 0.546 | 55% | 0.553 | S | S | . | * | | | trans | 86.3 | 5.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | D104 | D104-G107 PolarHBondContact O-N 3.17Å; D104-G107 PolarHBondContact OD1-N 3.47Å |
| 108 | N | 91.6 | Very high | 77.2 | Confident | 89 Ų | 89 | 102 Ų | 102 | 48% | 0.476 | 54% | 0.543 | S | S | . | . | | | trans | -73.3 | 133.9 | 178.3 | -55.1 | -51.9 | 0 | 0 | 0 | 110.4 | T103 D104 | T103-N108 CarbonylContact C-O 3.56Å; T103-N108 VanDerWaalsContact CA-O 3.24Å; T103-N108 WeakPolarHBondContact CA-O 3.14Å; D104-N108 PolarHBondContact N-O 2.85Å; D104-N108 PolarHBondContact OD1-N 3.22Å; D104-N108 WeakPolarHBondContact OD2-CB 3.24Å; D104-N108 PolarHBondContact OD2-ND2 2.68Å |
| 109 | K | 90.3 | Very high | 76.8 | Confident | 162 Ų | 162 | 102.2 Ų | 102.2 | 70% | 0.704 | 54% | 0.544 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 124 | 176 | -70.6 | -179.7 | 159.6 | -71.1 | 0 | 110.3 | I101 G102 T103 | I101-K109 HydrophobicContact CG2-CB 3.95Å; I101-K109 HydrophobicContact CG2-CD 4.42Å; I101-K109 HydrophobicContact CG2-CG 4.21Å; G102-K109 CarbonylContact O-C 3.55Å; G102-K109 WeakPolarHBondContact O-CA 3.1Å; T103-K109 HydrophobicContact CG2-CG 3.76Å |
| 110 | F | 84.2 | Confident | 76.1 | Confident | 100 Ų | 100 | 102.1 Ų | 102.1 | 44% | 0.439 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.8 | 142.1 | 170.8 | 68.1 | -89 | 0 | 0 | 0 | 110.3 | I101 G102 L112 | I101-F110 CarbonylContact C-O 3.48Å; I101-F110 WeakPolarHBondContact CA-O 3.44Å; G102-F110 PolarHBondContact N-O 3.27Å; G102-F110 PolarHBondContact O-N 3.11Å; F110-L112 HydrophobicContact CE2-CB 4.24Å; F110-L112 HydrophobicContact CE2-CD1 4.31Å; F110-L112 PolarHBondContact O-N 3.08Å |
| 111 | K | 86.9 | Confident | 75 | Confident | 119 Ų | 119 | 101.7 Ų | 101.7 | 52% | 0.517 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.4 | 112.9 | 172.3 | -65.8 | 174.1 | 60.7 | 170.8 | 0 | 107.6 | L113 | K111-L113 VanDerWaalsContact C-N 3.33Å; K111-L113 HydrophobicContact CB-CD2 4.36Å; K111-L113 PolarHBondContact O-N 3.15Å |
| 112 | L | 79.1 | Confident | 73.5 | Confident | 84 Ų | 84 | 99.5 Ų | 99.5 | 44% | 0.44 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73 | 96.4 | 166.3 | -169.9 | 65.7 | 0 | 0 | 0 | 107 | L100 F110 S114 | L100-L112 HydrophobicContact CB-CB 4.01Å; L100-L112 HydrophobicContact CD2-CB 4.48Å; L100-L112 HydrophobicContact CD2-CD2 3.53Å; L100-L112 HydrophobicContact CG-CB 4Å; L100-L112 HydrophobicContact CG-CD2 3.93Å; L100-L112 WeakPolarHBondContact O-CA 3.26Å; L100-L112 WeakPolarHBondContact O-CB 3.39Å; L100-L112 PolarHBondContact O-N 2.85Å; F110-L112 HydrophobicContact CE2-CB 4.24Å; F110-L112 HydrophobicContact CE2-CD1 4.31Å; F110-L112 PolarHBondContact O-N 3.08Å; L112-S114 PolarHBondContact O-N 3Å |
| 113 | L | 76.4 | Confident | 71.8 | Confident | 100 Ų | 100 | 102.2 Ų | 102.2 | 52% | 0.524 | 57% | 0.571 | S | S | . | * | | | trans | -66.7 | 121.5 | 167.1 | -55.9 | -178.4 | 0 | 0 | 0 | 106.1 | K111 E115 | K111-L113 VanDerWaalsContact C-N 3.33Å; K111-L113 HydrophobicContact CB-CD2 4.36Å; K111-L113 PolarHBondContact O-N 3.15Å; L113-E115 HydrophobicContact CB-CB 4.1Å; L113-E115 PolarHBondContact O-N 3.21Å |
| 114 | S | 65.7 | Low | 70.2 | Confident | 48 Ų | 48 | 107 Ų | 107 | 34% | 0.336 | 58% | 0.584 | S | S | . | * | G | 310 helix | trans | -61.1 | 11.9 | 173.3 | -53 | 0 | 0 | 0 | 0 | 113.4 | L112 H116 Q117 | L112-S114 PolarHBondContact O-N 3Å; S114-H116 PolarHBondContact O-N 3.38Å; S114-H116 VanDerWaalsContact O-N 3.08Å; S114-Q117 WeakPolarHBondContact O-CB 3.04Å; S114-Q117 PolarHBondContact O-N 3.39Å |
| 115 | E | 62.1 | Low | 68.7 | Low | 132 Ų | 132 | 111.2 Ų | 111.2 | 62% | 0.617 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -50.2 | -33.1 | -178.3 | -170.4 | 177.1 | 150.6 | 0 | 0 | 112.6 | L113 | L113-E115 HydrophobicContact CB-CB 4.1Å; L113-E115 PolarHBondContact O-N 3.21Å |
| 116 | H | 56.6 | Low | 67.3 | Low | 153 Ų | 153 | 114.6 Ų | 114.6 | 71% | 0.708 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -85.9 | -12.8 | 177.8 | -64.5 | 86 | 0 | 0 | 0 | 114.6 | S114 T119 | S114-H116 PolarHBondContact O-N 3.38Å; S114-H116 VanDerWaalsContact O-N 3.08Å; H116-T119 PolarHBondContact O-OG1 2.88Å |
| 117 | Q | 55.6 | Low | 66 | Low | 155 Ų | 155 | 113.3 Ų | 113.3 | 72% | 0.724 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -18.2 | 178.3 | -62.7 | -104.9 | 60.2 | 0 | 0 | 111.7 | S114 | S114-Q117 WeakPolarHBondContact O-CB 3.04Å; S114-Q117 PolarHBondContact O-N 3.39Å |
| 118 | V | 50.5 | Low | 64.7 | Low | 86 Ų | 86 | 117.2 Ų | 117.2 | 52% | 0.521 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -101.4 | -3 | -178.2 | -172.6 | 0 | 0 | 0 | 0 | 113 | S120 S121 G122 | V118-S120 PolarHBondContact O-N 3.4Å; V118-S121 PolarHBondContact O-N 3.37Å; V118-G122 WeakPolarHBondContact O-CA 3.5Å; V118-G122 PolarHBondContact O-N 3.39Å |
| 119 | T | 46 | Very low | 63.5 | Low | 113 Ų | 113 | 124.9 Ų | 124.9 | 69% | 0.693 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -11.2 | 167.6 | 55.3 | 0 | 0 | 0 | 0 | 113 | H116 | H116-T119 PolarHBondContact O-OG1 2.88Š|
| 120 | S | 50.6 | Low | 62.5 | Low | 107 Ų | 107 | 121.7 Ų | 121.7 | 75% | 0.748 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | -24.3 | 167.1 | -164.2 | 0 | 0 | 0 | 0 | 113.6 | V118 | V118-S120 PolarHBondContact O-N 3.4Š|
| 121 | S | 52.3 | Low | 61.8 | Low | 89 Ų | 89 | 125.5 Ų | 125.5 | 62% | 0.622 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | -6.1 | -177 | -178.5 | 0 | 0 | 0 | 0 | 114.9 | V118 | V118-S121 PolarHBondContact O-N 3.37Š|
| 122 | G | 53.2 | Low | 61.2 | Low | 45 Ų | 45 | 124.9 Ų | 124.9 | 46% | 0.464 | 64% | 0.644 | S | S | . | * | S | Bend | trans | -103.5 | -2.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | V118 K124 | V118-G122 WeakPolarHBondContact O-CA 3.5Å; V118-G122 PolarHBondContact O-N 3.39Å; G122-K124 VanDerWaalsContact C-N 3.28Å |
| 123 | D | 51.9 | Low | 60.6 | Low | 74 Ų | 74 | 130.6 Ų | 130.6 | 40% | 0.396 | 67% | 0.665 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.4 | -1.2 | 178 | -171.6 | -111.7 | 0 | 0 | 0 | 113.4 | R128 | D123-R128 VanDerWaalsContact CG-NH2 3.29Å; D123-R128 IonicContact OD1-CZ 3.14Å; D123-R128 IonicContact OD1-NE 3.57Å; D123-R128 IonicContact OD1-NH1 3.82Å; D123-R128 IonicContact OD1-NH2 2.61Å; D123-R128 PolarHBondContact OD1-NH2 2.65Å; D123-R128 WeakPolarHBondContact OD2-CD 3.18Å; D123-R128 IonicContact OD2-CZ 2.82Å; D123-R128 IonicContact OD2-NE 2.82Å; D123-R128 PolarHBondContact OD2-NE 3.2Å; D123-R128 IonicContact OD2-NH1 3.2Å; D123-R128 PolarHBondContact OD2-NH1 3.11Å; D123-R128 IonicContact OD2-NH2 3.26Å; D123-R128 PolarHBondContact OD2-NH2 2.59Å |
| 124 | K | 57.4 | Low | 60 | Low | 189 Ų | 189 | 130.8 Ų | 130.8 | 82% | 0.822 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | -6.2 | -178.2 | -65.9 | -155.9 | 171.6 | -170 | 0 | 114.8 | G122 | G122-K124 VanDerWaalsContact C-N 3.28Š|
| 125 | D | 58.2 | Low | 60.2 | Low | 147 Ų | 147 | 132.2 Ų | 132.2 | 79% | 0.786 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -127.4 | 29.6 | -172.7 | -159.3 | 57.3 | 0 | 0 | 0 | 114.3 | | |
| 126 | R | 60.5 | Low | 60.9 | Low | 203 Ų | 203 | 131.3 Ų | 131.3 | 77% | 0.766 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -121.8 | 141.1 | 137.6 | -75.5 | -178.2 | 179.6 | -149.1 | -2.1 | 104.7 | R128 | R126-R128 PolarHBondContact O-N 2.82Š|
| 127 | P | 65.7 | Low | 61.8 | Low | 132 Ų | 132 | 129.1 Ų | 129.1 | 86% | 0.857 | 69% | 0.693 | S | S | * | * | | | trans | -61.4 | 86.1 | 149.4 | 28 | -28.9 | 0 | 0 | 0 | 104.1 | R129 | P127-R129 PolarHBondContact O-N 2.61Å; P127-R129 VanDerWaalsContact O-N 3.11Å |
| 128 | R | 63.3 | Low | 63.1 | Low | 134 Ų | 134 | 127.1 Ų | 127.1 | 51% | 0.506 | 69% | 0.694 | S | S | . | * | | | trans | -47.3 | 130.7 | 166.5 | -70 | -176.5 | -70.7 | 150.1 | -5.7 | 102.8 | D123 R126 V130 | D123-R128 VanDerWaalsContact CG-NH2 3.29Å; D123-R128 IonicContact OD1-CZ 3.14Å; D123-R128 IonicContact OD1-NE 3.57Å; D123-R128 IonicContact OD1-NH1 3.82Å; D123-R128 IonicContact OD1-NH2 2.61Å; D123-R128 PolarHBondContact OD1-NH2 2.65Å; D123-R128 WeakPolarHBondContact OD2-CD 3.18Å; D123-R128 IonicContact OD2-CZ 2.82Å; D123-R128 IonicContact OD2-NE 2.82Å; D123-R128 PolarHBondContact OD2-NE 3.2Å; D123-R128 IonicContact OD2-NH1 3.2Å; D123-R128 PolarHBondContact OD2-NH1 3.11Å; D123-R128 IonicContact OD2-NH2 3.26Å; D123-R128 PolarHBondContact OD2-NH2 2.59Å; R126-R128 PolarHBondContact O-N 2.82Å; R128-V130 PolarHBondContact O-N 3.26Å |
| 129 | R | 67.8 | Low | 64.6 | Low | 251 Ų | 251 | 128.1 Ų | 128.1 | 95% | 0.947 | 70% | 0.702 | S | S | * | * | | | trans | -59.3 | 82.3 | 159.1 | -77.7 | 174.5 | 165.8 | 164.5 | -5.6 | 104.6 | P127 K131 | P127-R129 PolarHBondContact O-N 2.61Å; P127-R129 VanDerWaalsContact O-N 3.11Å; R129-K131 PolarHBondContact O-N 2.98Å |
| 130 | V | 68.3 | Low | 66.3 | Low | 95 Ų | 95 | 128.5 Ų | 128.5 | 58% | 0.576 | 71% | 0.706 | S | S | * | * | | | trans | -54.4 | 115.7 | 171.1 | -91.5 | 0 | 0 | 0 | 0 | 101.6 | R128 P132 | R128-V130 PolarHBondContact O-N 3.26Å; V130-P132 VanDerWaalsContact C-N 3.33Å; V130-P132 VanDerWaalsContact O-CD 3.26Å; V130-P132 WeakPolarHBondContact O-CD 3.26Å |
| 131 | K | 70.5 | Confident | 67.5 | Low | 180 Ų | 180 | 128.9 Ų | 128.9 | 78% | 0.783 | 70% | 0.704 | S | S | * | * | | | trans | -49.2 | 114.3 | 162.1 | -177.4 | 166.1 | 170.5 | 79 | 0 | 102.9 | R129 K133 | R129-K131 PolarHBondContact O-N 2.98Å; K131-K133 PolarHBondContact O-N 2.83Å |
| 132 | P | 72.8 | Confident | 68.3 | Low | 106 Ų | 106 | 132.7 Ų | 132.7 | 69% | 0.688 | 71% | 0.714 | S | S | * | * | | | trans | -47.2 | 127.5 | -172.7 | 15.5 | -29.4 | 0 | 0 | 0 | 105.9 | V130 C134 | V130-P132 VanDerWaalsContact C-N 3.33Å; V130-P132 VanDerWaalsContact O-CD 3.26Å; V130-P132 WeakPolarHBondContact O-CD 3.26Å; P132-C134 WeakPolarHBondContact O-CA 3.44Å; P132-C134 PolarHBondContact O-N 3.05Å |
| 133 | K | 66.6 | Low | 68.9 | Low | 204 Ų | 204 | 141.2 Ų | 141.2 | 89% | 0.887 | 73% | 0.732 | S | S | * | * | | | trans | -47.4 | 115.3 | -176.2 | -78.4 | -73.5 | 178.3 | 176.1 | 0 | 105.6 | K131 A135 | K131-K133 PolarHBondContact O-N 2.83Å; K133-A135 PolarHBondContact O-N 3.09Å; K133-A135 VanDerWaalsContact O-N 3.09Å |
| 134 | C | 63.3 | Low | 69.5 | Low | 103 Ų | 103 | 145 Ų | 145 | 70% | 0.696 | 75% | 0.751 | S | S | * | * | | | trans | -37.4 | 118.3 | -164.8 | -153.1 | 0 | 0 | 0 | 0 | 108.7 | P132 | P132-C134 WeakPolarHBondContact O-CA 3.44Å; P132-C134 PolarHBondContact O-N 3.05Å |
| 135 | A | 71.4 | Confident | 69.8 | Low | 78 Ų | 78 | 143.3 Ų | 143.3 | 65% | 0.645 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 138 | 158.3 | 0 | 0 | 0 | 0 | 0 | 105.9 | K133 | K133-A135 PolarHBondContact O-N 3.09Å; K133-A135 VanDerWaalsContact O-N 3.09Å |
| 136 | P | 75.5 | Confident | 70 | Confident | 113 Ų | 113 | 144.3 Ų | 144.3 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 134.3 | 179.8 | 20.3 | -31.1 | 0 | 0 | 0 | 108.1 | | |
| 137 | P | 76.9 | Confident | 69.6 | Low | 107 Ų | 107 | 142.9 Ų | 142.9 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 137.4 | -178.5 | 22.8 | -32.9 | 0 | 0 | 0 | 108.5 | | |
| 138 | P | 81.8 | Confident | 69.3 | Low | 114 Ų | 114 | 142 Ų | 142 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 138.9 | -176.1 | 23 | -32.9 | 0 | 0 | 0 | 109.3 | | |
| 139 | P | 82.9 | Confident | 68.5 | Low | 107 Ų | 107 | 141.1 Ų | 141.1 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 141.3 | -179.3 | 24.1 | -32.5 | 0 | 0 | 0 | 109.3 | V141 | P139-V141 PolarHBondContact O-N 3Š|
| 140 | P | 80.7 | Confident | 67.8 | Low | 120 Ų | 120 | 135.9 Ų | 135.9 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 116.4 | 177.4 | 24.4 | -31.7 | 0 | 0 | 0 | 108.6 | M142 | P140-M142 PolarHBondContact O-N 3.03Š|
| 141 | V | 77.3 | Confident | 66.5 | Low | 116 Ų | 116 | 137.4 Ų | 137.4 | 70% | 0.703 | 77% | 0.77 | S | S | * | * | | | trans | -69.1 | 102.4 | 171.4 | -74.6 | 0 | 0 | 0 | 0 | 107.7 | P139 R143 | P139-V141 PolarHBondContact O-N 3Å; V141-R143 VanDerWaalsContact C-N 3.3Å; V141-R143 PolarHBondContact O-N 2.96Å |
| 142 | M | 67.4 | Low | 65 | Low | 168 Ų | 168 | 133.9 Ų | 133.9 | 83% | 0.828 | 77% | 0.768 | S | S | * | * | | | trans | -63.6 | 103.8 | 159.3 | -63.2 | -158.3 | 75.8 | 0 | 0 | 105.1 | P140 L144 | P140-M142 PolarHBondContact O-N 3.03Å; M142-L144 PolarHBondContact O-N 3.42Å |
| 143 | R | 67.3 | Low | 64 | Low | 224 Ų | 224 | 135.6 Ų | 135.6 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | | | trans | -64.2 | 83 | 163.8 | -71.4 | -172.4 | 172.7 | 96.4 | -0.6 | 105.3 | V141 L145 | V141-R143 VanDerWaalsContact C-N 3.3Å; V141-R143 PolarHBondContact O-N 2.96Å; R143-L145 VanDerWaalsContact C-N 3.32Å; R143-L145 PolarHBondContact O-N 2.9Å |
| 144 | L | 64.9 | Low | 63.2 | Low | 153 Ų | 153 | 130.5 Ų | 130.5 | 80% | 0.801 | 76% | 0.76 | S | S | * | * | | | trans | -57.4 | 110.2 | 172.1 | -161.6 | 69.5 | 0 | 0 | 0 | 103.9 | M142 Q146 | M142-L144 PolarHBondContact O-N 3.42Å; L144-Q146 PolarHBondContact O-N 2.71Å |
| 145 | L | 62.1 | Low | 62.5 | Low | 154 Ų | 154 | 134.1 Ų | 134.1 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | | | trans | -2.9 | 117.1 | 170.5 | -59.9 | 165 | 0 | 0 | 0 | 111.8 | R143 H147 | R143-L145 VanDerWaalsContact C-N 3.32Å; R143-L145 PolarHBondContact O-N 2.9Å; L145-H147 PolarHBondContact O-N 3.14Å; L145-H147 VanDerWaalsContact O-N 3.14Å |
| 146 | Q | 63.3 | Low | 61.5 | Low | 168 Ų | 168 | 139 Ų | 139 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | | | trans | -28.7 | 123.7 | 149 | -71.5 | 164.5 | -65 | 0 | 0 | 108.4 | L144 | L144-Q146 PolarHBondContact O-N 2.71Š|
| 147 | H | 52.4 | Low | 60.4 | Low | 173 Ų | 173 | 140.8 Ų | 140.8 | 80% | 0.801 | 78% | 0.775 | S | S | * | * | | | | 177.7 | 150.8 | 117.6 | -79.6 | -59.2 | 0 | 0 | 0 | 110.1 | L145 | L145-H147 PolarHBondContact O-N 3.14Å; L145-H147 VanDerWaalsContact O-N 3.14Å |
| 148 | P | 58.1 | Low | 59.2 | Low | 113 Ų | 113 | 139.9 Ų | 139.9 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | | | trans | -99.8 | 150.9 | -152.2 | 37.4 | -29.9 | 0 | 0 | 0 | 112.2 | | |
| 149 | S | 47.4 | Very low | 57.2 | Low | 117 Ų | 117 | 140.8 Ų | 140.8 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | -165.1 | 115 | 155.4 | 14.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 150 | T | 53.1 | Low | 55.8 | Low | 141 Ų | 141 | 139.6 Ų | 139.6 | 87% | 0.865 | 77% | 0.772 | S | S | * | * | | | trans | -46.4 | 128.3 | 158.2 | 48.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 151 | C | 40 | Very low | 54.6 | Low | 126 Ų | 126 | 139.4 Ų | 139.4 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | | | trans | 169.3 | 137.7 | 156.2 | -119.3 | 0 | 0 | 0 | 0 | 106.3 | | |
| 152 | S | 40.6 | Very low | 53.4 | Low | 106 Ų | 106 | 140.3 Ų | 140.3 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | | | cis | -174.7 | 141 | 8.9 | 43.8 | 0 | 0 | 0 | 0 | 106.5 | | |
| 153 | D | 50.3 | Low | 52.6 | Low | 142 Ų | 142 | 137.3 Ų | 137.3 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | | | trans | -53.5 | 152.5 | 157.1 | -168.6 | 56 | 0 | 0 | 0 | 110.6 | | |
| 154 | P | 50.1 | Low | 51.4 | Low | 98 Ų | 98 | 134.2 Ų | 134.2 | 64% | 0.636 | 82% | 0.818 | S | S | * | * | | | | -152.7 | 168.4 | 72.4 | 37.8 | -14.3 | 0 | 0 | 0 | 118.6 | | |
| 155 | E | 49.2 | Very low | 50.7 | Low | 178 Ų | 178 | 133.3 Ų | 133.3 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | | | trans | 29.1 | 133.7 | 140.4 | -66.9 | 176.7 | 106 | 0 | 0 | 119 | | |
| 156 | E | 50.4 | Low | 50.1 | Low | 181 Ų | 181 | 132.2 Ų | 132.2 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | | | | -176.4 | 136.5 | 71.8 | -175.1 | -167 | 102.5 | 0 | 0 | 110.3 | | |
| 157 | E | 53.1 | Low | 49.4 | Very low | 151 Ų | 151 | 130.2 Ų | 130.2 | 71% | 0.706 | 82% | 0.822 | S | S | * | * | | | trans | -98.7 | 144.1 | 162 | -173 | -93.4 | 140.6 | 0 | 0 | 105.7 | T159 | E157-T159 PolarHBondContact OE1-N 3.36Š|
| 158 | P | 51 | Low | 49.2 | Very low | 87 Ų | 87 | 127.7 Ų | 127.7 | 57% | 0.565 | 82% | 0.823 | S | S | * | * | | | | -161.5 | 163.9 | 71.2 | 40.4 | -17.4 | 0 | 0 | 0 | 120.3 | | |
| 159 | T | 39.6 | Very low | 48.7 | Very low | 133 Ų | 133 | 128.6 Ų | 128.6 | 82% | 0.816 | 83% | 0.829 | S | S | * | * | | | trans | -177.7 | 107.7 | 139.6 | -86.5 | 0 | 0 | 0 | 0 | 110.7 | E157 | E157-T159 PolarHBondContact OE1-N 3.36Š|
| 160 | A | 54.3 | Low | 48.7 | Very low | 83 Ų | 83 | 129.4 Ų | 129.4 | 69% | 0.686 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 151 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 161 | P | 53.8 | Low | 48.4 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 153.4 | 166 | 35 | -29.7 | 0 | 0 | 0 | 112 | | |
| 162 | P | 53.6 | Low | 49.1 | Very low | 135 Ų | 135 | 128.8 Ų | 128.8 | 88% | 0.877 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 143.6 | -177.5 | 31.9 | -33.8 | 0 | 0 | 0 | 112 | | |
| 163 | A | 49.4 | Very low | 49.8 | Very low | 104 Ų | 104 | 130.7 Ų | 130.7 | 86% | 0.86 | 83% | 0.832 | S | S | * | * | | | trans | -122.1 | 134.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 164 | G | 42.7 | Very low | 49.7 | Very low | 160 Ų | 160 | 129.6 Ų | 129.6 | 100% | 1.649 | 84% | 0.839 | S | S | * | * | | | trans | 108.5 | 0 | 166.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |