| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 33.2 | Very low | 32 | Very low | 242 Ų | 242 | 137.3 Ų | 137.3 | 100% | 1.192 | 89% | 0.885 | S | S | * | * | 0 | 98.3 | 0 | -60.4 | 168.8 | -176.5 | 0 | 0 | 105.7 | |||||
| 2 | A | 40.6 | Very low | 31.7 | Very low | 106 Ų | 106 | 132.3 Ų | 132.3 | 88% | 0.876 | 88% | 0.878 | S | S | * | * | cis | 93.7 | 83.5 | 25.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 3 | A | 29.6 | Very low | 31.7 | Very low | 95 Ų | 95 | 131.5 Ų | 131.5 | 79% | 0.785 | 87% | 0.868 | S | S | * | * | trans | -160.6 | 138.9 | 155.3 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 4 | A | 37.6 | Very low | 31.6 | Very low | 97 Ų | 97 | 132.4 Ų | 132.4 | 80% | 0.802 | 86% | 0.861 | S | S | * | * | cis | 77.5 | 102.9 | 20.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 5 | V | 30.8 | Very low | 31.6 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 87% | 0.873 | 86% | 0.863 | S | S | * | * | trans | -148.3 | 139.6 | 153 | 170.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 6 | S | 30 | Very low | 31.5 | Very low | 113 Ų | 113 | 132.1 Ų | 132.1 | 79% | 0.79 | 85% | 0.853 | S | S | * | * | trans | -109.7 | 152.6 | 166.5 | -63.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 7 | L | 30.9 | Very low | 31.6 | Very low | 182 Ų | 182 | 130.7 Ų | 130.7 | 95% | 0.953 | 86% | 0.856 | S | S | * | * | trans | -69.3 | 150.2 | 178.9 | -66.4 | 167.1 | 0 | 0 | 0 | 112.2 | ||||
| 8 | S | 28.3 | Very low | 31.5 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 84% | 0.839 | 85% | 0.852 | S | S | * | * | trans | -135.4 | 148.5 | 161.3 | 48 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 9 | T | 32 | Very low | 31.5 | Very low | 142 Ų | 142 | 130.4 Ų | 130.4 | 87% | 0.871 | 85% | 0.847 | S | S | * | * | trans | -93.8 | 157.8 | -170.8 | 44.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 10 | T | 27.9 | Very low | 31.3 | Very low | 151 Ų | 151 | 128 Ų | 128 | 93% | 0.926 | 85% | 0.847 | S | S | * | * | trans | -123 | 151.7 | 164.4 | 48.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 11 | S | 31.6 | Very low | 31.3 | Very low | 118 Ų | 118 | 126.2 Ų | 126.2 | 83% | 0.825 | 84% | 0.842 | S | S | * | * | trans | -126.5 | 142.7 | -176.3 | 53 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 12 | G | 27.7 | Very low | 31.1 | Very low | 78 Ų | 78 | 120.5 Ų | 120.5 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -120.6 | 157.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 13 | T | 31.9 | Very low | 30.6 | Very low | 122 Ų | 122 | 124.4 Ų | 124.4 | 75% | 0.748 | 82% | 0.819 | S | S | * | * | trans | -115.7 | -172.2 | -165.3 | 53.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 14 | D | 29.8 | Very low | 30.5 | Very low | 143 Ų | 143 | 125.6 Ų | 125.6 | 77% | 0.765 | 82% | 0.816 | S | S | * | * | trans | 93.8 | 134.9 | 164.7 | -53.5 | 0.3 | 0 | 0 | 0 | 113.8 | ||||
| 15 | E | 32.8 | Very low | 30 | Very low | 193 Ų | 193 | 126.4 Ų | 126.4 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | cis | -141.3 | 165 | -13.2 | -98.1 | 176.9 | 121.3 | 0 | 0 | 105.1 | ||||
| 16 | G | 30.2 | Very low | 29.8 | Very low | 68 Ų | 68 | 130.8 Ų | 130.8 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | cis | 145.2 | 139.9 | 22.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 17 | A | 32.8 | Very low | 30.3 | Very low | 108 Ų | 108 | 130.8 Ų | 130.8 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | trans | 55.8 | 145.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 18 | D | 28.8 | Very low | 30 | Very low | 147 Ų | 147 | 131.8 Ų | 131.8 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | cis | -163.1 | 151.7 | -19.8 | -175.5 | 20.9 | 0 | 0 | 0 | 109.7 | ||||
| 19 | S | 32.1 | Very low | 30.1 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | trans | 54.9 | 140 | 159.9 | 78.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 20 | G | 28.2 | Very low | 29.9 | Very low | 82 Ų | 82 | 129.9 Ų | 129.9 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | trans | 131.5 | 126 | 161.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 21 | A | 31.2 | Very low | 30 | Very low | 92 Ų | 92 | 130.2 Ų | 130.2 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | trans | -137.9 | 171.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 22 | T | 28.7 | Very low | 29.9 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | trans | 103.8 | 100.2 | 152.7 | -30.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 23 | F | 29.2 | Very low | 29.9 | Very low | 189 Ų | 189 | 135.9 Ų | 135.9 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | trans | 75.7 | 118.4 | 136.5 | -82.4 | -133.3 | 0 | 0 | 0 | 123.6 | ||||
| 24 | V | 27.5 | Very low | 29.9 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | 90.2 | 132.1 | 120.1 | 168.8 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 25 | S | 28.3 | Very low | 29.8 | Very low | 114 Ų | 114 | 135.5 Ų | 135.5 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | 96.8 | 138.2 | 149.9 | -88.2 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 26 | R | 26.4 | Very low | 29.6 | Very low | 236 Ų | 236 | 132.8 Ų | 132.8 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | trans | -54.7 | 179.2 | 161 | -67.3 | 172.5 | 169.2 | 179.9 | -4.5 | 113.9 | ||||
| 27 | P | 39.3 | Very low | 29.5 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | cis | -126.4 | -165.5 | -16.1 | 29 | -7.5 | 0 | 0 | 0 | 111.8 | ||||
| 28 | F | 26.4 | Very low | 29.4 | Very low | 203 Ų | 203 | 137.8 Ų | 137.8 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | trans | -133 | 134.7 | 159.5 | -105.4 | -87.2 | 0 | 0 | 0 | 112.3 | ||||
| 29 | S | 28.9 | Very low | 29.3 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | -168.9 | 114.6 | 163.8 | -76.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 30 | A | 27.6 | Very low | 29.2 | Very low | 95 Ų | 95 | 141.3 Ų | 141.3 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -160.3 | 137.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 31 | N | 31.3 | Very low | 29.1 | Very low | 158 Ų | 158 | 145.8 Ų | 145.8 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | -92.1 | 162.5 | 167.2 | -67.5 | -29.5 | 0 | 0 | 0 | 109.3 | ||||
| 32 | H | 28.6 | Very low | 29 | Very low | 187 Ų | 187 | 149.4 Ų | 149.4 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | trans | -146.2 | 142.4 | 149.7 | -110.4 | -34.7 | 0 | 0 | 0 | 114 | ||||
| 33 | D | 28.7 | Very low | 28.9 | Very low | 127 Ų | 127 | 148 Ų | 148 | 68% | 0.679 | 80% | 0.797 | S | S | * | * | trans | -70.8 | 156.5 | -176.9 | -37.8 | -98 | 0 | 0 | 0 | 113.4 | ||||
| 34 | L | 30.9 | Very low | 28.8 | Very low | 176 Ų | 176 | 143 Ų | 143 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | -178.1 | 170.2 | 101.2 | -102.8 | 166.1 | 0 | 0 | 0 | 113.6 | |||||
| 35 | A | 28.2 | Very low | 28.8 | Very low | 82 Ų | 82 | 143.8 Ų | 143.8 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | trans | -104.1 | -179.8 | -158.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 36 | T | 28.1 | Very low | 28.8 | Very low | 136 Ų | 136 | 149.8 Ų | 149.8 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | trans | 125.2 | 145.2 | 167.8 | 56.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 37 | D | 28.6 | Very low | 28.8 | Very low | 128 Ų | 128 | 144.7 Ų | 144.7 | 68% | 0.684 | 79% | 0.79 | S | S | * | * | cis | -152.3 | 167.1 | 3.8 | -148.3 | 3.3 | 0 | 0 | 0 | 113.6 | ||||
| 38 | K | 30.4 | Very low | 28.1 | Very low | 153 Ų | 153 | 149.5 Ų | 149.5 | 67% | 0.665 | 79% | 0.793 | S | S | * | * | trans | 65 | 121.2 | 149.9 | -79 | 175.4 | 177.5 | -178.6 | 0 | 126.8 | ||||
| 39 | E | 27.8 | Very low | 28 | Very low | 159 Ų | 159 | 150.2 Ų | 150.2 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | 53 | 113.1 | 122.3 | -60.9 | 177.6 | 112.8 | 0 | 0 | 122.6 | |||||
| 40 | N | 28.3 | Very low | 29 | Very low | 169 Ų | 169 | 149.3 Ų | 149.3 | 90% | 0.904 | 78% | 0.783 | S | S | * | * | -159.3 | 174 | 110.4 | -127.9 | -49.3 | 0 | 0 | 0 | 113.8 | |||||
| 41 | F | 26.3 | Very low | 28.9 | Very low | 176 Ų | 176 | 152.6 Ų | 152.6 | 77% | 0.772 | 78% | 0.782 | S | S | * | * | trans | -121.5 | 156 | -160.2 | -138.9 | -119.8 | 0 | 0 | 0 | 114.9 | ||||
| 42 | M | 28.8 | Very low | 28.8 | Very low | 168 Ų | 168 | 152.3 Ų | 152.3 | 83% | 0.828 | 78% | 0.779 | S | S | * | * | trans | 66.9 | 161.4 | 166.9 | -60.6 | -130.5 | -153.5 | 0 | 0 | 119.2 | ||||
| 43 | A | 28.4 | Very low | 28.7 | Very low | 93 Ų | 93 | 147.4 Ų | 147.4 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | cis | -174 | 150.8 | -34.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 44 | G | 26.6 | Very low | 28.7 | Very low | 83 Ų | 83 | 146.5 Ų | 146.5 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | trans | 169 | 78.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 45 | D | 27.3 | Very low | 28.7 | Very low | 136 Ų | 136 | 144.1 Ų | 144.1 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -83.7 | 131.3 | -176.5 | -175 | -2.9 | 0 | 0 | 0 | 112.9 | ||||
| 46 | R | 27 | Very low | 28.7 | Very low | 239 Ų | 239 | 148.6 Ų | 148.6 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | trans | -162 | 116.1 | 140.7 | -116.7 | 172.5 | -176.4 | -177.1 | 0.4 | 116.6 | ||||
| 47 | Q | 27.7 | Very low | 28.9 | Very low | 130 Ų | 130 | 151.3 Ų | 151.3 | 61% | 0.607 | 78% | 0.777 | S | S | * | * | trans | -18 | 155.6 | 143.5 | -49.9 | 171.8 | -1.6 | 0 | 0 | 116.3 | ||||
| 48 | R | 25.1 | Very low | 28.8 | Very low | 215 Ų | 215 | 152.3 Ų | 152.3 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | cis | -163.7 | 155.6 | 31.5 | -155.2 | 172.3 | -73.6 | 169.3 | -4 | 113.9 | ||||
| 49 | Y | 24.1 | Very low | 28.7 | Very low | 217 Ų | 217 | 148.3 Ų | 148.3 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | trans | -75.2 | -175.7 | 167.4 | -74.9 | -90.1 | 0 | 0 | 0 | 113.2 | ||||
| 50 | P | 49.3 | Very low | 28.7 | Very low | 109 Ų | 109 | 147.1 Ų | 147.1 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | cis | -136.7 | -161.7 | 1.3 | 28.6 | -2.2 | 0 | 0 | 0 | 116.1 | ||||
| 51 | E | 25.2 | Very low | 28.7 | Very low | 163 Ų | 163 | 145.2 Ų | 145.2 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | 100.6 | 133.5 | 156.8 | -57.9 | -160.7 | 99.7 | 0 | 0 | 117.7 | ||||
| 52 | L | 29.4 | Very low | 28.7 | Very low | 152 Ų | 152 | 139.9 Ų | 139.9 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | cis | -148.7 | 169.4 | -1.2 | -121.9 | 171.9 | 0 | 0 | 0 | 111.6 | ||||
| 53 | A | 27.5 | Very low | 29 | Very low | 84 Ų | 84 | 138 Ų | 138 | 69% | 0.694 | 78% | 0.777 | S | S | * | * | trans | -68.7 | 161.3 | -171 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 54 | S | 28.8 | Very low | 29.1 | Very low | 109 Ų | 109 | 142.2 Ų | 142.2 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | -172.1 | 135.9 | 84 | 35.9 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 55 | V | 29.5 | Very low | 29.2 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 76% | 0.758 | 78% | 0.779 | S | S | * | * | trans | 46.9 | 113.2 | 138.9 | -172.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 56 | E | 29.2 | Very low | 29.4 | Very low | 176 Ų | 176 | 146.6 Ų | 146.6 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | cis | 86.5 | 133.8 | 43.4 | -63.5 | -171.4 | 142.8 | 0 | 0 | 116.6 | ||||
| 57 | E | 32.6 | Very low | 29.7 | Very low | 194 Ų | 194 | 145.2 Ų | 145.2 | 91% | 0.907 | 78% | 0.782 | S | S | * | * | trans | 56.3 | 145.6 | 174.7 | -66.2 | -168.5 | 157.2 | 0 | 0 | 119.3 | ||||
| 58 | D | 26.7 | Very low | 30.1 | Very low | 149 Ų | 149 | 148.6 Ų | 148.6 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | cis | -154.6 | -143.8 | -29.7 | -163.8 | 27.2 | 0 | 0 | 0 | 105.8 | ||||
| 59 | A | 27.2 | Very low | 30.8 | Very low | 69 Ų | 69 | 145.2 Ų | 145.2 | 57% | 0.57 | 79% | 0.791 | S | S | * | * | cis | -156.8 | 155.4 | 2.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 60 | T | 27.8 | Very low | 31.4 | Very low | 134 Ų | 134 | 137.1 Ų | 137.1 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | trans | 55.6 | 101.5 | 160.1 | 49.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 61 | S | 29 | Very low | 31.5 | Very low | 128 Ų | 128 | 137.1 Ų | 137.1 | 90% | 0.895 | 75% | 0.753 | S | S | * | * | trans | -84 | 111.1 | 163.1 | 41.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 62 | G | 25.3 | Very low | 32.6 | Very low | 65 Ų | 65 | 135.9 Ų | 135.9 | 67% | 0.67 | 75% | 0.752 | S | S | * | * | trans | -75.6 | 162.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 63 | P | 34.8 | Very low | 34.3 | Very low | 127 Ų | 127 | 131.2 Ų | 131.2 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | trans | -75.7 | 139.6 | -164.4 | 28.9 | -35.8 | 0 | 0 | 0 | 115.3 | ||||
| 64 | E | 30.3 | Very low | 36.6 | Very low | 182 Ų | 182 | 133.8 Ų | 133.8 | 85% | 0.85 | 73% | 0.728 | S | S | * | * | trans | 6.9 | 105.7 | 158.6 | -60 | -176.5 | 110.8 | 0 | 0 | 118.3 | Q66 | E64-Q66 PolarHBondContact O-N 3.09Š| ||
| 65 | C | 30.4 | Very low | 38.8 | Very low | 123 Ų | 123 | 134.1 Ų | 134.1 | 83% | 0.831 | 73% | 0.728 | S | S | * | * | trans | -57.6 | 110.2 | 159.1 | -73.9 | 0 | 0 | 0 | 0 | 110.7 | R67 | C65-R67 VanDerWaalsContact C-N 3.34Å; C65-R67 PolarHBondContact O-N 3.4Å | ||
| 66 | Q | 31.1 | Very low | 41.5 | Very low | 189 Ų | 189 | 130.2 Ų | 130.2 | 88% | 0.883 | 70% | 0.703 | S | S | * | * | trans | -62.2 | 93 | 167.8 | -74.3 | -176.9 | -25.3 | 0 | 0 | 110.2 | E64 R68 | E64-Q66 PolarHBondContact O-N 3.09Å; Q66-R68 PolarHBondContact O-N 3.37Å | ||
| 67 | R | 31.8 | Very low | 44.3 | Very low | 210 Ų | 210 | 124 Ų | 124 | 79% | 0.792 | 68% | 0.678 | S | S | * | * | trans | -55.9 | 123.1 | 171.6 | -62.5 | -173.3 | -137.7 | 163 | 5.6 | 108.6 | C65 D72 | C65-R67 VanDerWaalsContact C-N 3.34Å; C65-R67 PolarHBondContact O-N 3.4Å; R67-D72 IonicContact NH1-OD2 3.49Å | ||
| 68 | R | 37.5 | Very low | 47 | Very low | 201 Ų | 201 | 119.7 Ų | 119.7 | 76% | 0.758 | 67% | 0.667 | S | S | * | * | trans | -72.1 | 134.4 | 176 | -72.6 | -174.6 | 174.2 | -175.9 | -0.8 | 109.8 | Q66 D70 Q264 | Q66-R68 PolarHBondContact O-N 3.37Å; R68-D70 PolarHBondContact O-N 3.34Å; R68-Q264 VanDerWaalsContact NH1-OE1 3.11Å | ||
| 69 | V | 38.4 | Very low | 50 | Low | 143 Ų | 143 | 119.9 Ų | 119.9 | 87% | 0.867 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -77.1 | 92.2 | -177.7 | -173.5 | 0 | 0 | 0 | 0 | 110.6 | ||
| 70 | D | 38 | Very low | 53 | Low | 48 Ų | 48 | 120.1 Ų | 120.1 | 26% | 0.257 | 66% | 0.655 | S | S | . | * | S | Bend | trans | -136.4 | 40.9 | 164.6 | -135.9 | -37.7 | 0 | 0 | 0 | 109.3 | R68 R178 R238 R330 | R68-D70 PolarHBondContact O-N 3.34Å; D70-R178 PolarHBondContact O-NH2 2.87Å; D70-R238 IonicContact OD1-CZ 2.78Å; D70-R238 IonicContact OD1-NE 2.67Å; D70-R238 IonicContact OD1-NH2 3.64Å; D70-R238 PolarHBondContact OD1-NH2 3.04Å; D70-R238 IonicContact OD2-NH2 2.79Å; D70-R330 IonicContact OD2-NH1 2.63Å; D70-R330 PolarHBondContact OD2-NH1 3.39Å |
| 71 | E | 51 | Low | 56 | Low | 108 Ų | 108 | 115.2 Ų | 115.2 | 51% | 0.505 | 62% | 0.624 | S | S | . | * | trans | 52.1 | 119.1 | 174.2 | -65.8 | -171.4 | 156.4 | 0 | 0 | 120.1 | L73 A179 | E71-L73 HydrophobicContact CB-CD2 4.12Å; E71-L73 PolarHBondContact O-N 3.48Å; E71-A179 WeakPolarHBondContact OE2-CB 3.49Å | ||
| 72 | D | 47.8 | Very low | 58.9 | Low | 138 Ų | 138 | 115.9 Ų | 115.9 | 74% | 0.738 | 61% | 0.613 | S | S | * | * | trans | -64.3 | 94.1 | 152.5 | -71.5 | -47.8 | 0 | 0 | 0 | 108.2 | R67 I74 | R67-D72 IonicContact NH1-OD2 3.49Å; D72-I74 PolarHBondContact O-N 3.44Å; D72-I74 VanDerWaalsContact O-N 3.13Å | ||
| 73 | L | 66.3 | Low | 62.1 | Low | 54 Ų | 54 | 115.7 Ų | 115.7 | 28% | 0.283 | 60% | 0.601 | S | S | . | * | trans | -64.9 | 112.8 | -174.1 | -65.4 | 174.1 | 0 | 0 | 0 | 111.2 | E71 P75 R178 H208 | E71-L73 HydrophobicContact CB-CD2 4.12Å; E71-L73 PolarHBondContact O-N 3.48Å; L73-P75 WeakPolarHBondContact O-CD 3.39Å; L73-R178 HydrophobicContact CD2-CB 4.32Å; L73-H208 HydrophobicContact CD1-CB 4.18Å | ||
| 74 | I | 74.6 | Confident | 64.9 | Low | 137 Ų | 137 | 113 Ų | 113 | 70% | 0.703 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 122.3 | -180 | -57 | 174.6 | 0 | 0 | 0 | 109.7 | D72 L76 H208 | D72-I74 PolarHBondContact O-N 3.44Å; D72-I74 VanDerWaalsContact O-N 3.13Å; I74-L76 PolarHBondContact O-N 3.34Å; I74-H208 PolarHBondContact O-CE1 3.48Å |
| 75 | P | 75.6 | Confident | 67.8 | Low | 117 Ų | 117 | 105.9 Ų | 105.9 | 76% | 0.76 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 126.3 | 176.1 | -26.8 | 35.5 | 0 | 0 | 0 | 111.5 | L73 | L73-P75 WeakPolarHBondContact O-CD 3.39Š|
| 76 | L | 85.8 | Confident | 70.8 | Confident | 42 Ų | 42 | 103.2 Ų | 103.2 | 22% | 0.22 | 52% | 0.517 | C | S | . | . | P | Polyproline II helix | trans | -84.4 | 152.8 | -178 | -59.4 | 177.9 | 0 | 0 | 0 | 111.2 | I74 D80 I81 R84 T206 G207 | I74-L76 PolarHBondContact O-N 3.34Å; L76-D80 HydrophobicContact CB-CB 4.18Å; L76-I81 HydrophobicContact CB-CD1 4.33Å; L76-I81 HydrophobicContact CB-CG1 3.85Å; L76-I81 HydrophobicContact CD1-CG1 4.43Å; L76-R84 VanDerWaalsContact CD1-CZ 3.42Å; L76-R84 VanDerWaalsContact CD1-NH1 3.27Å; L76-T206 WeakPolarHBondContact CD1-O 3.47Å; L76-G207 WeakPolarHBondContact CD1-O 3.48Å |
| 77 | S | 88.4 | Confident | 73.7 | Confident | 45 Ų | 45 | 100.4 Ų | 100.4 | 32% | 0.315 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 152 | 168.9 | 76.3 | 0 | 0 | 0 | 0 | 110.5 | E79 D80 I81 | S77-E79 PolarHBondContact O-N 3.3Å; S77-D80 WeakPolarHBondContact O-CB 3.48Å; S77-D80 PolarHBondContact O-N 3.21Å; S77-D80 VanDerWaalsContact O-N 3.16Å; S77-D80 WeakPolarHBondContact OG-CB 3.32Å; S77-D80 VanDerWaalsContact OG-CG 3.27Å; S77-D80 PolarHBondContact OG-N 3.12Å; S77-D80 PolarHBondContact OG-OD2 3.26Å; S77-I81 WeakPolarHBondContact O-CG1 3.46Å; S77-I81 PolarHBondContact O-N 3.11Å |
| 78 | P | 89.3 | Confident | 76.6 | Confident | 104 Ų | 104 | 90.8 Ų | 90.8 | 68% | 0.675 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -58.8 | -34.5 | 175.3 | 23.7 | -33.2 | 0 | 0 | 0 | 112 | I81 E82 | P78-I81 WeakPolarHBondContact O-CB 3.39Å; P78-I81 PolarHBondContact O-N 3.16Å; P78-E82 PolarHBondContact O-N 3.42Å |
| 79 | E | 90.1 | Very high | 79.2 | Confident | 154 Ų | 154 | 87.5 Ų | 87.5 | 72% | 0.72 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -64.8 | -41.3 | 176 | -61.5 | 174.7 | -157.4 | 0 | 0 | 112.2 | S77 I81 S83 | S77-E79 PolarHBondContact O-N 3.3Å; E79-I81 VanDerWaalsContact C-N 3.34Å; E79-S83 WeakPolarHBondContact O-CB 3.47Å; E79-S83 PolarHBondContact O-N 3.29Å |
| 80 | D | 89.2 | Confident | 81.7 | Confident | 74 Ų | 74 | 88 Ų | 88 | 40% | 0.396 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 172.5 | -81.1 | -68.6 | 0 | 0 | 0 | 112.1 | L76 S77 R84 | L76-D80 HydrophobicContact CB-CB 4.18Å; S77-D80 WeakPolarHBondContact O-CB 3.48Å; S77-D80 PolarHBondContact O-N 3.21Å; S77-D80 VanDerWaalsContact O-N 3.16Å; S77-D80 WeakPolarHBondContact OG-CB 3.32Å; S77-D80 VanDerWaalsContact OG-CG 3.27Å; S77-D80 PolarHBondContact OG-N 3.12Å; S77-D80 PolarHBondContact OG-OD2 3.26Å; D80-R84 WeakPolarHBondContact O-CB 3.26Å; D80-R84 VanDerWaalsContact O-CD 3.28Å; D80-R84 WeakPolarHBondContact O-CD 3.43Å; D80-R84 WeakPolarHBondContact O-CG 3.26Å; D80-R84 PolarHBondContact O-N 3.45Å; D80-R84 VanDerWaalsContact O-N 3.11Å |
| 81 | I | 90.9 | Very high | 84.3 | Confident | 31 Ų | 31 | 88.2 Ų | 88.2 | 16% | 0.159 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -63.7 | -52.4 | 178.5 | -63.5 | 169.9 | 0 | 0 | 0 | 109.1 | L76 S77 P78 E79 R84 L85 | L76-I81 HydrophobicContact CB-CD1 4.33Å; L76-I81 HydrophobicContact CB-CG1 3.85Å; L76-I81 HydrophobicContact CD1-CG1 4.43Å; S77-I81 WeakPolarHBondContact O-CG1 3.46Å; S77-I81 PolarHBondContact O-N 3.11Å; P78-I81 WeakPolarHBondContact O-CB 3.39Å; P78-I81 PolarHBondContact O-N 3.16Å; E79-I81 VanDerWaalsContact C-N 3.34Å; I81-R84 PolarHBondContact O-N 3.4Å; I81-L85 HydrophobicContact CG2-CD1 3.75Å; I81-L85 HydrophobicContact CG2-CG 4.46Å; I81-L85 VanDerWaalsContact O-CG 3.27Å; I81-L85 WeakPolarHBondContact O-CG 3.34Å; I81-L85 PolarHBondContact O-N 3.08Å |
| 82 | E | 91.3 | Very high | 86.2 | Confident | 141 Ų | 141 | 83.8 Ų | 83.8 | 66% | 0.659 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -61.9 | -45.5 | 179 | -175.2 | 166.5 | -152.2 | 0 | 0 | 112 | P78 R84 L85 E86 | P78-E82 PolarHBondContact O-N 3.42Å; E82-R84 VanDerWaalsContact C-N 3.28Å; E82-R84 PolarHBondContact O-N 3.35Å; E82-L85 PolarHBondContact O-N 3.36Å; E82-L85 VanDerWaalsContact O-N 3.12Å; E82-E86 WeakPolarHBondContact O-CB 3.4Å; E82-E86 PolarHBondContact O-N 3.07Å |
| 83 | S | 92.2 | Very high | 88.3 | Confident | 61 Ų | 61 | 81.6 Ų | 81.6 | 43% | 0.427 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -57.6 | -37.2 | 177.2 | -178.2 | 0 | 0 | 0 | 0 | 113.1 | E79 R87 | E79-S83 WeakPolarHBondContact O-CB 3.47Å; E79-S83 PolarHBondContact O-N 3.29Å; S83-R87 VanDerWaalsContact O-CB 3.3Å; S83-R87 WeakPolarHBondContact O-CB 3.49Å; S83-R87 PolarHBondContact O-N 2.96Å |
| 84 | R | 92.4 | Very high | 89.4 | Confident | 71 Ų | 71 | 81.3 Ų | 81.3 | 27% | 0.268 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -71.9 | -43.4 | 174.3 | -70.3 | 164.9 | -170.9 | -139.9 | 0.4 | 112.2 | L76 D80 I81 E82 T88 Y202 G207 | L76-R84 VanDerWaalsContact CD1-CZ 3.42Å; L76-R84 VanDerWaalsContact CD1-NH1 3.27Å; D80-R84 WeakPolarHBondContact O-CB 3.26Å; D80-R84 VanDerWaalsContact O-CD 3.28Å; D80-R84 WeakPolarHBondContact O-CD 3.43Å; D80-R84 WeakPolarHBondContact O-CG 3.26Å; D80-R84 PolarHBondContact O-N 3.45Å; D80-R84 VanDerWaalsContact O-N 3.11Å; I81-R84 PolarHBondContact O-N 3.4Å; E82-R84 VanDerWaalsContact C-N 3.28Å; E82-R84 PolarHBondContact O-N 3.35Å; R84-T88 WeakPolarHBondContact O-CB 3.33Å; R84-T88 PolarHBondContact O-N 2.89Å; R84-T88 VanDerWaalsContact O-N 3.08Å; R84-T88 PolarHBondContact O-OG1 3.27Å; R84-Y202 HydrophobicContact CB-CD1 4.49Å; R84-Y202 HydrophobicContact CB-CD2 4.1Å; R84-Y202 HydrophobicContact CB-CE2 4.19Å; R84-Y202 HydrophobicContact CB-CG 4.25Å; R84-G207 WeakPolarHBondContact CD-O 3.2Å; R84-G207 PolarHBondContact NH1-O 3.38Å; R84-G207 VanDerWaalsContact NH1-O 3.17Å |
| 85 | L | 92.2 | Very high | 90.2 | Very high | 32 Ų | 32 | 77 Ų | 77 | 17% | 0.168 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.3 | -45.2 | 179.6 | -68.3 | 169.1 | 0 | 0 | 0 | 111.5 | I81 E82 T88 R89 | I81-L85 HydrophobicContact CG2-CD1 3.75Å; I81-L85 HydrophobicContact CG2-CG 4.46Å; I81-L85 VanDerWaalsContact O-CG 3.27Å; I81-L85 WeakPolarHBondContact O-CG 3.34Å; I81-L85 PolarHBondContact O-N 3.08Å; E82-L85 PolarHBondContact O-N 3.36Å; E82-L85 VanDerWaalsContact O-N 3.12Å; L85-T88 CarbonylContact O-C 3.52Å; L85-T88 WeakPolarHBondContact O-CB 3.47Å; L85-T88 PolarHBondContact O-N 3.43Å; L85-T88 VanDerWaalsContact O-N 3.17Å; L85-R89 WeakPolarHBondContact O-CB 3.35Å; L85-R89 PolarHBondContact O-N 3.16Å |
| 86 | E | 92.4 | Very high | 91.1 | Very high | 67 Ų | 67 | 74.6 Ų | 74.6 | 31% | 0.313 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.6 | -39.4 | 178.5 | 171.6 | 45.3 | -149.8 | 0 | 0 | 111.9 | E82 T88 R89 R90 | E82-E86 WeakPolarHBondContact O-CB 3.4Å; E82-E86 PolarHBondContact O-N 3.07Å; E86-T88 VanDerWaalsContact C-N 3.26Å; E86-T88 PolarHBondContact O-N 3.44Å; E86-R89 PolarHBondContact O-N 3.39Å; E86-R89 WeakPolarHBondContact OE2-CD 3.3Å; E86-R90 VanDerWaalsContact O-CB 3.31Å; E86-R90 WeakPolarHBondContact O-CB 3.38Å; E86-R90 PolarHBondContact O-N 2.91Å; E86-R90 IonicContact OE1-CZ 2.65Å; E86-R90 IonicContact OE1-NE 2.7Å; E86-R90 PolarHBondContact OE1-NE 3.06Å; E86-R90 IonicContact OE1-NH2 2.77Å; E86-R90 PolarHBondContact OE1-NH2 3.35Å |
| 87 | R | 92 | Very high | 91.4 | Very high | 131 Ų | 131 | 74.5 Ų | 74.5 | 49% | 0.494 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.1 | -42.4 | 170.1 | -172.7 | -179.8 | -54.9 | 155.9 | 10.8 | 111.9 | S83 E91 | S83-R87 VanDerWaalsContact O-CB 3.3Å; S83-R87 WeakPolarHBondContact O-CB 3.49Å; S83-R87 PolarHBondContact O-N 2.96Å; R87-E91 WeakPolarHBondContact O-CB 3.25Å; R87-E91 PolarHBondContact O-N 3.2Å |
| 88 | T | 93.3 | Very high | 91.7 | Very high | 7 Ų | 7 | 72.3 Ų | 72.3 | 4% | 0.043 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.6 | -42.2 | 177.9 | -55.7 | 0 | 0 | 0 | 0 | 111.7 | R84 L85 E86 F92 F199 L200 Y202 | R84-T88 WeakPolarHBondContact O-CB 3.33Å; R84-T88 PolarHBondContact O-N 2.89Å; R84-T88 VanDerWaalsContact O-N 3.08Å; R84-T88 PolarHBondContact O-OG1 3.27Å; L85-T88 CarbonylContact O-C 3.52Å; L85-T88 WeakPolarHBondContact O-CB 3.47Å; L85-T88 PolarHBondContact O-N 3.43Å; L85-T88 VanDerWaalsContact O-N 3.17Å; E86-T88 VanDerWaalsContact C-N 3.26Å; E86-T88 PolarHBondContact O-N 3.44Å; T88-F92 VanDerWaalsContact O-CB 3.27Å; T88-F92 WeakPolarHBondContact O-CB 3.4Å; T88-F92 PolarHBondContact O-N 2.68Å; T88-F199 HydrophobicContact CG2-CB 4.35Å; T88-F199 HydrophobicContact CG2-CD2 3.75Å; T88-F199 HydrophobicContact CG2-CE2 4.49Å; T88-F199 HydrophobicContact CG2-CG 4.36Å; T88-L200 VanDerWaalsContact CG2-O 3.3Å; T88-L200 WeakPolarHBondContact CG2-O 3.2Å; T88-L200 PolarHBondContact OG1-O 2.99Å; T88-Y202 VanDerWaalsContact OG1-CD2 3.28Å; T88-Y202 WeakPolarHBondContact OG1-CD2 3.5Å; T88-Y202 WeakPolarHBondContact OG1-CE2 3.32Å |
| 89 | R | 92.1 | Very high | 91.9 | Very high | 132 Ų | 132 | 68.1 Ų | 68.1 | 50% | 0.498 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.9 | -47.7 | 176.3 | -170.8 | 179.8 | -172.6 | 165.8 | 2.4 | 111.2 | L85 E86 F92 Y93 Y252 | L85-R89 WeakPolarHBondContact O-CB 3.35Å; L85-R89 PolarHBondContact O-N 3.16Å; E86-R89 PolarHBondContact O-N 3.39Å; E86-R89 WeakPolarHBondContact OE2-CD 3.3Å; R89-F92 WeakPolarHBondContact O-CB 3.37Å; R89-F92 PolarHBondContact O-N 2.98Å; R89-Y93 HydrophobicContact CG-CD2 3.78Å; R89-Y93 HydrophobicContact CG-CE2 3.71Å; R89-Y93 WeakPolarHBondContact O-CD2 3.28Å; R89-Y93 PolarHBondContact O-N 3.1Å; R89-Y252 HydrophobicContact CB-CE2 4.03Å; R89-Y252 HydrophobicContact CG-CE2 4.13Å |
| 90 | R | 91.9 | Very high | 92.1 | Very high | 153 Ų | 153 | 60.8 Ų | 60.8 | 58% | 0.577 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61.5 | -49.9 | 178 | -166.1 | 173.7 | -56.1 | 178.7 | 3.4 | 112.1 | E86 F92 Y93 N94 | E86-R90 VanDerWaalsContact O-CB 3.31Å; E86-R90 WeakPolarHBondContact O-CB 3.38Å; E86-R90 PolarHBondContact O-N 2.91Å; E86-R90 IonicContact OE1-CZ 2.65Å; E86-R90 IonicContact OE1-NE 2.7Å; E86-R90 PolarHBondContact OE1-NE 3.06Å; E86-R90 IonicContact OE1-NH2 2.77Å; E86-R90 PolarHBondContact OE1-NH2 3.35Å; R90-F92 VanDerWaalsContact C-N 3.34Å; R90-F92 PolarHBondContact O-N 3.38Å; R90-Y93 PolarHBondContact O-N 2.97Å; R90-N94 WeakPolarHBondContact O-CB 3.3Å; R90-N94 PolarHBondContact O-N 3.45Å |
| 91 | E | 91.8 | Very high | 92.3 | Very high | 53 Ų | 53 | 60.7 Ų | 60.7 | 25% | 0.248 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60 | -42.5 | 174.5 | -84.9 | -63 | 117.4 | 0 | 0 | 111.9 | R87 Y93 N94 R197 C198 F199 | R87-E91 WeakPolarHBondContact O-CB 3.25Å; R87-E91 PolarHBondContact O-N 3.2Å; E91-Y93 PolarHBondContact O-N 3.15Å; E91-N94 WeakPolarHBondContact O-CB 3.39Å; E91-N94 PolarHBondContact O-N 3.38Å; E91-R197 WeakPolarHBondContact O-CD 3.48Å; E91-R197 WeakPolarHBondContact OE2-CA 3.4Å; E91-C198 PolarHBondContact OE2-N 3.01Å; E91-F199 HydrophobicContact CB-CB 3.89Å; E91-F199 HydrophobicContact CB-CD1 3.82Å; E91-F199 HydrophobicContact CB-CG 4.15Å; E91-F199 HydrophobicContact CG-CB 4.49Å |
| 92 | F | 91.6 | Very high | 92.4 | Very high | 16 Ų | 16 | 63.3 Ų | 63.3 | 7% | 0.07 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.6 | -47.9 | 175.5 | 174 | -100 | 0 | 0 | 0 | 112.2 | T88 R89 R90 N94 R197 F199 L250 Y252 L255 | T88-F92 VanDerWaalsContact O-CB 3.27Å; T88-F92 WeakPolarHBondContact O-CB 3.4Å; T88-F92 PolarHBondContact O-N 2.68Å; R89-F92 WeakPolarHBondContact O-CB 3.37Å; R89-F92 PolarHBondContact O-N 2.98Å; R90-F92 VanDerWaalsContact C-N 3.34Å; R90-F92 PolarHBondContact O-N 3.38Å; F92-N94 VanDerWaalsContact C-N 3.32Å; F92-N94 PolarHBondContact O-N 3.03Å; F92-R197 PolarHBondContact O-NH1 2.98Å; F92-F199 HydrophobicContact CB-CE1 4.32Å; F92-F199 HydrophobicContact CB-CE2 4.45Å; F92-F199 HydrophobicContact CB-CZ 4.1Å; F92-F199 HydrophobicContact CD2-CE2 4.44Å; F92-F199 AromaticContact CD2-CZ 3.85Å; F92-F199 HydrophobicContact CD2-CZ 3.85Å; F92-F199 HydrophobicContact CG-CZ 4.49Å; F92-L250 HydrophobicContact CE2-CB 4.35Å; F92-L250 WeakPolarHBondContact CZ-O 3.17Å; F92-Y252 HydrophobicContact CD1-CD2 4.1Å; F92-Y252 HydrophobicContact CG-CD2 4.48Å; F92-L255 HydrophobicContact CB-CD1 4.47Å; F92-L255 HydrophobicContact CD2-CD1 3.76Å; F92-L255 HydrophobicContact CD2-CD2 3.85Å; F92-L255 HydrophobicContact CD2-CG 4.22Å; F92-L255 HydrophobicContact CE2-CD1 4.15Å; F92-L255 HydrophobicContact CE2-CD2 3.83Å; F92-L255 HydrophobicContact CE2-CG 4.19Å; F92-L255 HydrophobicContact CG-CD1 4.07Å |
| 93 | Y | 90.2 | Very high | 92.3 | Very high | 92 Ų | 92 | 56.6 Ų | 56.6 | 36% | 0.361 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -79.7 | -4.1 | -178.9 | -72.9 | -64.3 | 0 | 0 | 0 | 114.9 | R89 R90 E91 R95 G140 | R89-Y93 HydrophobicContact CG-CD2 3.78Å; R89-Y93 HydrophobicContact CG-CE2 3.71Å; R89-Y93 WeakPolarHBondContact O-CD2 3.28Å; R89-Y93 PolarHBondContact O-N 3.1Å; R90-Y93 PolarHBondContact O-N 2.97Å; E91-Y93 PolarHBondContact O-N 3.15Å; Y93-R95 PolarHBondContact O-N 3.43Å; Y93-G140 WeakPolarHBondContact O-CA 3.4Å |
| 94 | N | 90.5 | Very high | 92.2 | Very high | 47 Ų | 47 | 53.9 Ų | 53.9 | 25% | 0.251 | 23% | 0.227 | S | C | . | . | trans | -71.2 | 38.6 | 179 | -164.4 | 12.1 | 0 | 0 | 0 | 114.3 | R90 E91 F92 R96 R197 | R90-N94 WeakPolarHBondContact O-CB 3.3Å; R90-N94 PolarHBondContact O-N 3.45Å; E91-N94 WeakPolarHBondContact O-CB 3.39Å; E91-N94 PolarHBondContact O-N 3.38Å; F92-N94 VanDerWaalsContact C-N 3.32Å; F92-N94 PolarHBondContact O-N 3.03Å; N94-R96 PolarHBondContact O-N 3.46Å; N94-R197 HydrophobicContact CB-CG 4.38Å | ||
| 95 | R | 91.9 | Very high | 91.8 | Very high | 46 Ų | 46 | 54.2 Ų | 54.2 | 17% | 0.174 | 24% | 0.238 | C | C | . | . | trans | -87.9 | 74.1 | 177.4 | -68.2 | -172.2 | 65.6 | -164.1 | -0.3 | 110.7 | Y93 K97 A143 L164 Q165 V247 | Y93-R95 PolarHBondContact O-N 3.43Å; R95-K97 VanDerWaalsContact C-N 3.28Å; R95-K97 PolarHBondContact O-N 3.06Å; R95-A143 WeakPolarHBondContact O-CB 3.37Å; R95-L164 HydrophobicContact CB-CD1 4.11Å; R95-L164 HydrophobicContact CB-CD2 4.08Å; R95-L164 WeakPolarHBondContact O-CD2 3.38Å; R95-Q165 PolarHBondContact NH2-O 3.12Å; R95-Q165 VanDerWaalsContact NH2-O 3.1Å; R95-V247 VanDerWaalsContact CZ-CG1 3.46Å; R95-V247 PolarHBondContact NH1-O 3.24Å | ||
| 96 | R | 93.1 | Very high | 91.5 | Very high | 68 Ų | 68 | 56.4 Ų | 56.4 | 26% | 0.257 | 25% | 0.25 | S | S | . | . | trans | -80.1 | 7.6 | -174.6 | 71.2 | -176.4 | -169.1 | 177.2 | -4 | 116.7 | N94 T136 L137 L138 N139 | N94-R96 PolarHBondContact O-N 3.46Å; R96-T136 HydrophobicContact CG-CG2 3.98Å; R96-L137 WeakPolarHBondContact CD-O 3.34Å; R96-L137 PolarHBondContact O-N 3.25Å; R96-L138 VanDerWaalsContact CD-O 3.25Å; R96-L138 WeakPolarHBondContact CD-O 3.1Å; R96-L138 PolarHBondContact NH1-O 3.34Å; R96-N139 WeakPolarHBondContact CB-O 3.45Å | ||
| 97 | K | 92.9 | Very high | 91.3 | Very high | 39 Ų | 39 | 53.2 Ų | 53.2 | 17% | 0.17 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 127.2 | -179.4 | -65.3 | -177.7 | -175.2 | 172.1 | 0 | 110.7 | R95 V135 T136 Q165 E196 | R95-K97 VanDerWaalsContact C-N 3.28Å; R95-K97 PolarHBondContact O-N 3.06Å; K97-V135 WeakPolarHBondContact CA-O 3.37Å; K97-T136 HydrophobicContact CG-CG2 4.11Å; K97-Q165 HydrophobicContact CB-CB 3.86Å; K97-Q165 PolarHBondContact O-N 2.93Å; K97-E196 VanDerWaalsContact CE-CD 3.44Å; K97-E196 WeakPolarHBondContact CE-OE1 3.42Å; K97-E196 VanDerWaalsContact CE-OE2 3.23Å; K97-E196 WeakPolarHBondContact CE-OE2 3.42Å; K97-E196 IonicContact NZ-OE1 3.77Å; K97-E196 PolarHBondContact NZ-OE1 2.97Å; K97-E196 IonicContact NZ-OE2 2.66Å; K97-E196 PolarHBondContact NZ-OE2 3.28Å |
| 98 | I | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 153.3 | 174.4 | 66.9 | 175.6 | 0 | 0 | 0 | 111 | I100 L116 V135 L137 A143 I147 V162 Q163 L164 | I98-I100 HydrophobicContact CD1-CG1 4.46Å; I98-L116 HydrophobicContact CD1-CD1 4.2Å; I98-V135 HydrophobicContact CD1-CB 4.15Å; I98-V135 HydrophobicContact CD1-CG1 4.47Å; I98-V135 HydrophobicContact CG1-CB 3.74Å; I98-V135 HydrophobicContact CG1-CG1 4.36Å; I98-V135 PolarHBondContact N-O 3.4Å; I98-V135 PolarHBondContact O-N 3.3Å; I98-L137 HydrophobicContact CB-CD1 4.47Å; I98-L137 HydrophobicContact CD1-CD1 3.77Å; I98-L137 HydrophobicContact CG1-CD1 3.75Å; I98-L137 HydrophobicContact CG2-CD1 4.02Å; I98-A143 HydrophobicContact CG2-CB 3.82Å; I98-I147 HydrophobicContact CG2-CD1 4.01Å; I98-I147 HydrophobicContact CG2-CG1 4.13Å; I98-V162 HydrophobicContact CB-CG1 4.37Å; I98-V162 HydrophobicContact CD1-CG1 3.84Å; I98-Q163 CarbonylContact C-O 3.48Å; I98-Q163 VanDerWaalsContact CA-O 3.23Å; I98-Q163 WeakPolarHBondContact CA-O 3.46Å; I98-Q163 WeakPolarHBondContact CB-O 3.08Å; I98-L164 HydrophobicContact CG2-CD2 4.4Å |
| 99 | I | 94.1 | Very high | 91.2 | Very high | 15 Ų | 15 | 52.7 Ų | 52.7 | 8% | 0.077 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 126.9 | 165 | -172.3 | 175.9 | 0 | 0 | 0 | 108.1 | K101 A133 F134 Q163 | I99-K101 HydrophobicContact CD1-CG 4.33Å; I99-K101 HydrophobicContact CG1-CG 4.23Å; I99-A133 CarbonylContact C-O 3.52Å; I99-A133 WeakPolarHBondContact CA-O 3.3Å; I99-F134 HydrophobicContact CD1-CD1 4.35Å; I99-F134 HydrophobicContact CD1-CE1 3.62Å; I99-F134 HydrophobicContact CD1-CZ 3.8Å; I99-F134 HydrophobicContact CG1-CD1 4.27Å; I99-F134 HydrophobicContact CG1-CE1 4.03Å; I99-F134 HydrophobicContact CG1-CZ 4.35Å; I99-Q163 HydrophobicContact CG2-CB 4.29Å; I99-Q163 PolarHBondContact N-O 2.7Å; I99-Q163 PolarHBondContact O-N 3.46Å |
| 100 | I | 94 | Very high | 91.1 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 134.7 | 168.8 | -47 | -179.6 | 0 | 0 | 0 | 107.2 | I98 L103 V112 L116 T132 A133 I160 V162 | I98-I100 HydrophobicContact CD1-CG1 4.46Å; I100-L103 HydrophobicContact CB-CD1 4.45Å; I100-L103 HydrophobicContact CG2-CD1 4.31Å; I100-L103 HydrophobicContact CG2-CD2 3.73Å; I100-L103 HydrophobicContact CG2-CG 3.96Å; I100-V112 HydrophobicContact CD1-CG1 4.03Å; I100-L116 HydrophobicContact CD1-CD1 4.29Å; I100-T132 CarbonylContact O-C 3.35Å; I100-T132 WeakPolarHBondContact O-CA 3.29Å; I100-T132 WeakPolarHBondContact O-CB 3.17Å; I100-A133 HydrophobicContact CB-CB 4.17Å; I100-A133 HydrophobicContact CD1-CB 4.33Å; I100-A133 HydrophobicContact CG1-CB 4.39Å; I100-A133 PolarHBondContact N-O 3.44Å; I100-A133 PolarHBondContact O-N 2.67Å; I100-I160 HydrophobicContact CG2-CB 4.13Å; I100-I160 HydrophobicContact CG2-CD1 4.27Å; I100-V162 HydrophobicContact CB-CG2 4.5Å; I100-V162 HydrophobicContact CG1-CG1 4.34Å; I100-V162 HydrophobicContact CG1-CG2 4.11Å; I100-V162 HydrophobicContact CG2-CG2 4.03Å |
| 101 | K | 93.4 | Very high | 91 | Very high | 73 Ų | 73 | 47 Ų | 47 | 32% | 0.317 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 161.5 | 179.3 | -57.2 | 168.4 | -178.4 | 167.8 | 0 | 110.7 | I99 L103 T132 I160 S161 | I99-K101 HydrophobicContact CD1-CG 4.33Å; I99-K101 HydrophobicContact CG1-CG 4.23Å; K101-L103 VanDerWaalsContact C-N 3.32Å; K101-L103 PolarHBondContact O-N 3.45Å; K101-T132 HydrophobicContact CB-CG2 4.47Å; K101-T132 HydrophobicContact CG-CG2 4.23Å; K101-I160 WeakPolarHBondContact O-CA 3.3Å; K101-S161 PolarHBondContact N-O 2.8Å; K101-S161 PolarHBondContact O-N 3.22Å |
| 102 | N | 91.8 | Very high | 91 | Very high | 86 Ų | 86 | 44.4 Ų | 44.4 | 46% | 0.46 | 22% | 0.218 | S | C | . | . | S | Bend | trans | 63.3 | 30.1 | 179.9 | -161.6 | 41.3 | 0 | 0 | 0 | 114.8 | G131 E159 | N102-G131 PolarHBondContact N-O 3.47Å; N102-G131 VanDerWaalsContact N-O 3.13Å; N102-E159 WeakPolarHBondContact CB-O 3.45Å; N102-E159 PolarHBondContact ND2-O 3.42Å |
| 103 | L | 90.7 | Very high | 91 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -64.3 | 157.8 | 172.6 | -65.7 | 170.2 | 0 | 0 | 0 | 111.8 | I100 K101 V107 V112 G131 A133 L155 R158 I160 | I100-L103 HydrophobicContact CB-CD1 4.45Å; I100-L103 HydrophobicContact CG2-CD1 4.31Å; I100-L103 HydrophobicContact CG2-CD2 3.73Å; I100-L103 HydrophobicContact CG2-CG 3.96Å; K101-L103 VanDerWaalsContact C-N 3.32Å; K101-L103 PolarHBondContact O-N 3.45Å; L103-V107 HydrophobicContact CB-CB 4.47Å; L103-V107 HydrophobicContact CB-CG1 3.92Å; L103-V107 HydrophobicContact CD1-CG1 4.18Å; L103-V112 HydrophobicContact CD1-CG2 4.24Å; L103-G131 PolarHBondContact N-O 2.71Å; L103-A133 HydrophobicContact CD1-CB 3.68Å; L103-L155 HydrophobicContact CD2-CD2 3.92Å; L103-R158 PolarHBondContact O-NH1 3.36Å; L103-I160 HydrophobicContact CD2-CG2 3.95Å | ||
| 104 | P | 89 | Confident | 91 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.019 | 24% | 0.238 | C | C | . | . | trans | -55.8 | 147.9 | 165.6 | -23.8 | 34.1 | 0 | 0 | 0 | 112.2 | D106 V107 R156 | P104-D106 VanDerWaalsContact C-N 3.3Å; P104-D106 VanDerWaalsContact CB-OD1 3.23Å; P104-D106 WeakPolarHBondContact CB-OD1 3.34Å; P104-D106 PolarHBondContact O-N 3.32Å; P104-V107 HydrophobicContact CB-CB 4.32Å; P104-V107 VanDerWaalsContact O-CB 3.27Å; P104-V107 WeakPolarHBondContact O-CB 3.36Å; P104-V107 WeakPolarHBondContact O-CG1 3.34Å; P104-V107 PolarHBondContact O-N 3.37Å; P104-R156 HydrophobicContact CG-CB 4.24Å | ||
| 105 | P | 84.4 | Confident | 91 | Very high | 78 Ų | 78 | 46.7 Ų | 46.7 | 51% | 0.506 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -24.3 | -176.7 | 32.2 | -35.5 | 0 | 0 | 0 | 112.7 | ||
| 106 | D | 86.6 | Confident | 90.9 | Very high | 79 Ų | 79 | 44.5 Ų | 44.5 | 42% | 0.422 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -13.5 | 177 | 59.9 | -50.1 | 0 | 0 | 0 | 112.9 | P104 K128 R156 | P104-D106 VanDerWaalsContact C-N 3.3Å; P104-D106 VanDerWaalsContact CB-OD1 3.23Å; P104-D106 WeakPolarHBondContact CB-OD1 3.34Å; P104-D106 PolarHBondContact O-N 3.32Å; D106-K128 PolarHBondContact O-NZ 2.91Å; D106-R156 IonicContact OD2-CZ 3.75Å; D106-R156 IonicContact OD2-NH1 2.79Å; D106-R156 PolarHBondContact OD2-NH1 2.87Å; D106-R156 IonicContact OD2-NH2 2.81Å; D106-R156 PolarHBondContact OD2-NH2 3.43Å |
| 107 | V | 88.1 | Confident | 90.7 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -48.4 | 138.4 | -174.4 | 79.6 | 0 | 0 | 0 | 0 | 113 | L103 P104 E111 V112 V126 K128 | L103-V107 HydrophobicContact CB-CB 4.47Å; L103-V107 HydrophobicContact CB-CG1 3.92Å; L103-V107 HydrophobicContact CD1-CG1 4.18Å; P104-V107 HydrophobicContact CB-CB 4.32Å; P104-V107 VanDerWaalsContact O-CB 3.27Å; P104-V107 WeakPolarHBondContact O-CB 3.36Å; P104-V107 WeakPolarHBondContact O-CG1 3.34Å; P104-V107 PolarHBondContact O-N 3.37Å; V107-E111 WeakPolarHBondContact CA-OE2 3.22Å; V107-E111 HydrophobicContact CG2-CB 4.1Å; V107-V112 HydrophobicContact CG2-CG2 4.17Å; V107-V126 HydrophobicContact CG1-CG1 3.66Å; V107-K128 WeakPolarHBondContact O-CE 3.36Å; V107-K128 PolarHBondContact O-NZ 3.39Å | ||
| 108 | T | 90.8 | Very high | 90.6 | Very high | 54 Ų | 54 | 48.3 Ų | 48.3 | 33% | 0.331 | 27% | 0.266 | S | S | . | . | trans | -99.5 | 160.2 | -179.4 | 61.9 | 0 | 0 | 0 | 0 | 111.3 | Q110 E111 V112 | T108-Q110 PolarHBondContact O-N 3.33Å; T108-E111 WeakPolarHBondContact CB-OE2 3.47Å; T108-E111 PolarHBondContact N-OE2 3.31Å; T108-E111 WeakPolarHBondContact OG1-CG 3.27Å; T108-E111 PolarHBondContact OG1-N 3.03Å; T108-E111 PolarHBondContact OG1-OE2 3.11Å; T108-V112 PolarHBondContact O-N 3.27Å | ||
| 109 | N | 91 | Very high | 90.5 | Very high | 73 Ų | 73 | 50 Ų | 50 | 39% | 0.39 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.7 | -31.3 | 168.6 | -62.3 | -74.4 | 0 | 0 | 0 | 110.8 | V112 H113 V126 | N109-V112 PolarHBondContact O-N 3.44Å; N109-H113 PolarHBondContact O-CD2 3.44Å; N109-H113 VanDerWaalsContact O-CD2 3.3Å; N109-H113 PolarHBondContact O-N 3.22Å; N109-V126 HydrophobicContact CB-CG2 4.39Å; N109-V126 VanDerWaalsContact OD1-CB 3.29Å; N109-V126 WeakPolarHBondContact OD1-CB 3.41Å; N109-V126 VanDerWaalsContact OD1-CG2 3.31Å; N109-V126 WeakPolarHBondContact OD1-CG2 3.5Å; N109-V126 PolarHBondContact OD1-N 2.85Å |
| 110 | Q | 90.5 | Very high | 90.5 | Very high | 116 Ų | 116 | 53.4 Ų | 53.4 | 54% | 0.542 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.6 | -48.9 | 179.3 | -166.2 | 60.3 | 48.2 | 0 | 0 | 111.6 | T108 V112 H113 D114 | T108-Q110 PolarHBondContact O-N 3.33Å; Q110-V112 PolarHBondContact O-N 3.13Å; Q110-V112 VanDerWaalsContact O-N 3.11Å; Q110-H113 CarbonylContact O-C 3.46Å; Q110-H113 WeakPolarHBondContact O-CA 3.36Å; Q110-H113 WeakPolarHBondContact O-CB 3.44Å; Q110-H113 PolarHBondContact O-N 3.22Å; Q110-D114 PolarHBondContact NE2-OD1 2.78Å; Q110-D114 PolarHBondContact O-N 2.9Å |
| 111 | E | 90.8 | Very high | 90.4 | Very high | 48 Ų | 48 | 55.3 Ų | 55.3 | 22% | 0.224 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -55.1 | -33 | 175.1 | -77.5 | 161.7 | 117.7 | 0 | 0 | 112.8 | V107 T108 L115 R156 | V107-E111 WeakPolarHBondContact CA-OE2 3.22Å; V107-E111 HydrophobicContact CG2-CB 4.1Å; T108-E111 WeakPolarHBondContact CB-OE2 3.47Å; T108-E111 PolarHBondContact N-OE2 3.31Å; T108-E111 WeakPolarHBondContact OG1-CG 3.27Å; T108-E111 PolarHBondContact OG1-N 3.03Å; T108-E111 PolarHBondContact OG1-OE2 3.11Å; E111-L115 WeakPolarHBondContact O-CB 3.49Å; E111-L115 PolarHBondContact O-N 3.48Å; E111-R156 IonicContact OE1-CZ 3.69Å; E111-R156 IonicContact OE1-NE 4Å; E111-R156 IonicContact OE1-NH1 2.65Å; E111-R156 PolarHBondContact OE1-NH1 3.04Å |
| 112 | V | 91.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -77.8 | -31.6 | 175.9 | 178.9 | 0 | 0 | 0 | 0 | 112.4 | I100 L103 V107 T108 N109 Q110 L116 V126 A133 V135 | I100-V112 HydrophobicContact CD1-CG1 4.03Å; L103-V112 HydrophobicContact CD1-CG2 4.24Å; V107-V112 HydrophobicContact CG2-CG2 4.17Å; T108-V112 PolarHBondContact O-N 3.27Å; N109-V112 PolarHBondContact O-N 3.44Å; Q110-V112 PolarHBondContact O-N 3.13Å; Q110-V112 VanDerWaalsContact O-N 3.11Å; V112-L116 HydrophobicContact CG1-CD1 4.47Å; V112-L116 WeakPolarHBondContact O-CB 3.44Å; V112-L116 PolarHBondContact O-N 3.38Å; V112-V126 HydrophobicContact CB-CG2 4.21Å; V112-V126 HydrophobicContact CG2-CG2 3.77Å; V112-A133 HydrophobicContact CG1-CB 4.09Å; V112-A133 HydrophobicContact CG2-CB 4.39Å; V112-V135 HydrophobicContact CG1-CG2 4.16Å |
| 113 | H | 90.8 | Very high | 90.4 | Very high | 70 Ų | 70 | 59.4 Ų | 59.4 | 32% | 0.324 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68.9 | -40.1 | 169.4 | -90.5 | -82.1 | 0 | 0 | 0 | 112 | N109 Q110 L116 G117 C124 | N109-H113 PolarHBondContact O-CD2 3.44Å; N109-H113 VanDerWaalsContact O-CD2 3.3Å; N109-H113 PolarHBondContact O-N 3.22Å; Q110-H113 CarbonylContact O-C 3.46Å; Q110-H113 WeakPolarHBondContact O-CA 3.36Å; Q110-H113 WeakPolarHBondContact O-CB 3.44Å; Q110-H113 PolarHBondContact O-N 3.22Å; H113-L116 CarbonylContact O-C 3.51Å; H113-L116 PolarHBondContact O-N 3.23Å; H113-G117 WeakPolarHBondContact O-CA 3.49Å; H113-G117 PolarHBondContact O-N 3.43Å; H113-C124 VanDerWaalsContact NE2-CB 3.31Å; H113-C124 WeakPolarHBondContact NE2-CB 3.49Å |
| 114 | D | 91.1 | Very high | 90.5 | Very high | 101 Ų | 101 | 60.5 Ų | 60.5 | 54% | 0.54 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -69.8 | -44.5 | 179.6 | -58.1 | -25.2 | 0 | 0 | 0 | 110.6 | Q110 L116 G117 | Q110-D114 PolarHBondContact NE2-OD1 2.78Å; Q110-D114 PolarHBondContact O-N 2.9Å; D114-L116 VanDerWaalsContact C-N 3.27Å; D114-L116 PolarHBondContact O-N 3.07Å; D114-G117 PolarHBondContact O-N 3.05Å |
| 115 | L | 89.4 | Confident | 90.7 | Very high | 32 Ų | 32 | 64.8 Ų | 64.8 | 17% | 0.168 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -56 | -41.6 | 173.6 | 179.4 | 69 | 0 | 0 | 0 | 112 | E111 F150 L155 I160 | E111-L115 WeakPolarHBondContact O-CB 3.49Å; E111-L115 PolarHBondContact O-N 3.48Å; L115-F150 HydrophobicContact CD1-CD1 3.64Å; L115-F150 HydrophobicContact CD1-CE1 3.6Å; L115-F150 HydrophobicContact CG-CD1 4.01Å; L115-F150 HydrophobicContact CG-CE1 4.04Å; L115-F150 WeakPolarHBondContact O-CE1 3.38Å; L115-F150 WeakPolarHBondContact O-CZ 3.21Å; L115-L155 HydrophobicContact CD2-CD2 4.5Å; L115-I160 HydrophobicContact CD2-CD1 3.71Å |
| 116 | L | 91.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 19.9 | 178 | -63.5 | 178.9 | 0 | 0 | 0 | 112.8 | I98 I100 V112 H113 D114 N118 Y119 L121 V135 A146 F150 | I98-L116 HydrophobicContact CD1-CD1 4.2Å; I100-L116 HydrophobicContact CD1-CD1 4.29Å; V112-L116 HydrophobicContact CG1-CD1 4.47Å; V112-L116 WeakPolarHBondContact O-CB 3.44Å; V112-L116 PolarHBondContact O-N 3.38Å; H113-L116 CarbonylContact O-C 3.51Å; H113-L116 PolarHBondContact O-N 3.23Å; D114-L116 VanDerWaalsContact C-N 3.27Å; D114-L116 PolarHBondContact O-N 3.07Å; L116-N118 PolarHBondContact O-N 3.32Å; L116-Y119 WeakPolarHBondContact O-CB 3.3Å; L116-Y119 PolarHBondContact O-N 3.23Å; L116-L121 HydrophobicContact CB-CD1 3.96Å; L116-L121 HydrophobicContact CB-CD2 4.13Å; L116-L121 HydrophobicContact CB-CG 4.3Å; L116-L121 HydrophobicContact CD1-CD2 4.04Å; L116-V135 HydrophobicContact CD1-CB 4.33Å; L116-V135 HydrophobicContact CD1-CG1 3.92Å; L116-V135 HydrophobicContact CD1-CG2 4.03Å; L116-A146 HydrophobicContact CD2-CB 4.19Å; L116-F150 HydrophobicContact CD2-CD2 3.58Å; L116-F150 HydrophobicContact CD2-CE2 3.6Å; L116-F150 HydrophobicContact CD2-CG 4.42Å; L116-F150 HydrophobicContact CD2-CZ 4.44Å |
| 117 | G | 88.7 | Confident | 91.4 | Very high | 54 Ų | 54 | 58.8 Ų | 58.8 | 56% | 0.557 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -20 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115 | H113 D114 Y119 | H113-G117 WeakPolarHBondContact O-CA 3.49Å; H113-G117 PolarHBondContact O-N 3.43Å; D114-G117 PolarHBondContact O-N 3.05Å; G117-Y119 PolarHBondContact O-N 3.31Å |
| 118 | N | 90.8 | Very high | 91.5 | Very high | 133 Ų | 133 | 63 Ų | 63 | 71% | 0.711 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -1.6 | 173.1 | -63.9 | -18.2 | 0 | 0 | 0 | 113.7 | L116 | L116-N118 PolarHBondContact O-N 3.32Š|
| 119 | Y | 93.3 | Very high | 91.4 | Very high | 34 Ų | 34 | 71.4 Ų | 71.4 | 13% | 0.133 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -132 | 152.3 | -168.1 | -64.9 | -90.2 | 0 | 0 | 0 | 113.1 | L116 G117 L121 L137 Q142 C145 A146 E149 F150 | L116-Y119 WeakPolarHBondContact O-CB 3.3Å; L116-Y119 PolarHBondContact O-N 3.23Å; G117-Y119 PolarHBondContact O-N 3.31Å; Y119-L121 WeakPolarHBondContact O-CD1 3.33Å; Y119-L121 PolarHBondContact O-N 2.98Å; Y119-L121 VanDerWaalsContact O-N 3.11Å; Y119-L137 HydrophobicContact CD1-CD2 3.92Å; Y119-L137 HydrophobicContact CG-CD2 4.12Å; Y119-Q142 HydrophobicContact CD1-CB 3.82Å; Y119-Q142 HydrophobicContact CD1-CG 3.88Å; Y119-Q142 HydrophobicContact CE1-CB 4.29Å; Y119-Q142 HydrophobicContact CE1-CG 4.43Å; Y119-Q142 WeakPolarHBondContact CE1-O 3.29Å; Y119-C145 HydrophobicContact CE1-CB 3.9Å; Y119-C145 WeakPolarHBondContact OH-CB 3.43Å; Y119-A146 HydrophobicContact CD1-CB 4.41Å; Y119-A146 HydrophobicContact CE1-CB 4.1Å; Y119-A146 HydrophobicContact CE2-CB 4.29Å; Y119-A146 PolarHBondContact OH-N 2.97Å; Y119-E149 VanDerWaalsContact CE2-OE2 3.23Å; Y119-E149 WeakPolarHBondContact CE2-OE2 3.43Å; Y119-E149 VanDerWaalsContact CZ-OE2 3.3Å; Y119-E149 PolarHBondContact OH-OE2 2.9Å; Y119-F150 HydrophobicContact CD2-CE2 4.31Å; Y119-F150 AromaticContact CE2-CE2 3.76Å; Y119-F150 HydrophobicContact CE2-CE2 3.76Å |
| 120 | D | 92.4 | Very high | 91.3 | Very high | 88 Ų | 88 | 75 Ų | 75 | 47% | 0.471 | 36% | 0.36 | S | S | . | . | trans | -83.8 | 87.3 | -178.5 | -66.8 | -74.3 | 0 | 0 | 0 | 112.3 | K122 L137 L138 Q142 | D120-K122 PolarHBondContact O-N 3.12Å; D120-K122 VanDerWaalsContact O-N 3.14Å; D120-L137 CarbonylContact O-C 3.58Å; D120-L137 WeakPolarHBondContact O-CA 3.23Å; D120-L138 HydrophobicContact CB-CB 3.58Å; D120-L138 HydrophobicContact CB-CD2 4.19Å; D120-L138 PolarHBondContact O-N 3.5Å; D120-L138 WeakPolarHBondContact OD2-CD2 3.41Å; D120-Q142 PolarHBondContact OD2-NE2 3.32Å | ||
| 121 | L | 93.3 | Very high | 91.3 | Very high | 39 Ų | 39 | 70 Ų | 70 | 20% | 0.204 | 34% | 0.339 | C | S | . | . | trans | -70.1 | 104.8 | 174.6 | -60 | 99.4 | 0 | 0 | 0 | 111.5 | L116 Y119 C124 V135 | L116-L121 HydrophobicContact CB-CD1 3.96Å; L116-L121 HydrophobicContact CB-CD2 4.13Å; L116-L121 HydrophobicContact CB-CG 4.3Å; L116-L121 HydrophobicContact CD1-CD2 4.04Å; Y119-L121 WeakPolarHBondContact O-CD1 3.33Å; Y119-L121 PolarHBondContact O-N 2.98Å; Y119-L121 VanDerWaalsContact O-N 3.11Å; L121-C124 HydrophobicContact CD2-CB 3.97Å; L121-V135 HydrophobicContact CD2-CG1 3.77Å; L121-V135 HydrophobicContact CD2-CG2 4.43Å; L121-V135 HydrophobicContact CG-CG1 4.21Å | ||
| 122 | K | 92.1 | Very high | 91.4 | Very high | 117 Ų | 117 | 68.5 Ų | 68.5 | 51% | 0.509 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -79.7 | -24.1 | 170.1 | -71.5 | -175.4 | 174.7 | 173.2 | 0 | 113.5 | D120 T136 | D120-K122 PolarHBondContact O-N 3.12Å; D120-K122 VanDerWaalsContact O-N 3.14Å; K122-T136 PolarHBondContact N-O 3.07Å |
| 123 | Y | 91.7 | Very high | 91.5 | Very high | 128 Ų | 128 | 68.5 Ų | 68.5 | 50% | 0.502 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 135.3 | 175 | -179.2 | -97.6 | 0 | 0 | 0 | 109.1 | F125 V135 T136 | Y123-F125 HydrophobicContact CE1-CB 3.6Å; Y123-V135 CarbonylContact O-C 3.49Å; Y123-V135 VanDerWaalsContact O-CA 3.3Å; Y123-V135 WeakPolarHBondContact O-CA 3.09Å; Y123-T136 PolarHBondContact N-O 3.29Å; Y123-T136 PolarHBondContact O-N 3.25Å |
| 124 | C | 93.1 | Very high | 91.7 | Very high | 23 Ų | 23 | 67.9 Ų | 67.9 | 16% | 0.155 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 133.8 | 171.7 | -176.6 | 0 | 0 | 0 | 0 | 108.3 | H113 L121 V135 | H113-C124 VanDerWaalsContact NE2-CB 3.31Å; H113-C124 WeakPolarHBondContact NE2-CB 3.49Å; L121-C124 HydrophobicContact CD2-CB 3.97Å; C124-V135 HydrophobicContact CB-CG2 4.42Å |
| 125 | F | 93.2 | Very high | 91.9 | Very high | 94 Ų | 94 | 63 Ų | 63 | 41% | 0.412 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 116.7 | 174.7 | 172.3 | -101.4 | 0 | 0 | 0 | 110.9 | Y123 D127 A133 F134 | Y123-F125 HydrophobicContact CE1-CB 3.6Å; F125-D127 HydrophobicContact CE1-CB 4.08Å; F125-A133 CarbonylContact O-C 3.5Å; F125-A133 WeakPolarHBondContact O-CA 3.28Å; F125-F134 HydrophobicContact CD1-CD2 4.09Å; F125-F134 PolarHBondContact N-O 3.11Å; F125-F134 PolarHBondContact O-N 3.34Å |
| 126 | V | 93.4 | Very high | 92.1 | Very high | 10 Ų | 10 | 62.5 Ų | 62.5 | 6% | 0.061 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 114.7 | 176.7 | 177.8 | 0 | 0 | 0 | 0 | 111.1 | V107 N109 V112 K128 A133 | V107-V126 HydrophobicContact CG1-CG1 3.66Å; N109-V126 HydrophobicContact CB-CG2 4.39Å; N109-V126 VanDerWaalsContact OD1-CB 3.29Å; N109-V126 WeakPolarHBondContact OD1-CB 3.41Å; N109-V126 VanDerWaalsContact OD1-CG2 3.31Å; N109-V126 WeakPolarHBondContact OD1-CG2 3.5Å; N109-V126 PolarHBondContact OD1-N 2.85Å; V112-V126 HydrophobicContact CB-CG2 4.21Å; V112-V126 HydrophobicContact CG2-CG2 3.77Å; V126-K128 HydrophobicContact CG1-CG 3.97Å; V126-K128 PolarHBondContact O-N 3.5Å; V126-A133 HydrophobicContact CG2-CB 4.02Å |
| 127 | D | 93.1 | Very high | 92.2 | Very high | 20 Ų | 20 | 62.5 Ų | 62.5 | 11% | 0.107 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 89.7 | 164.7 | -173.1 | -18.4 | 0 | 0 | 0 | 109.6 | F125 Y129 K130 G131 T132 | F125-D127 HydrophobicContact CE1-CB 4.08Å; D127-Y129 PolarHBondContact O-N 3.1Å; D127-Y129 WeakPolarHBondContact OD1-CB 3.06Å; D127-Y129 PolarHBondContact OD1-N 3.22Å; D127-Y129 VanDerWaalsContact OD1-N 3.14Å; D127-K130 HydrophobicContact CB-CB 4.49Å; D127-K130 PolarHBondContact O-N 2.99Å; D127-K130 VanDerWaalsContact O-N 3.17Å; D127-K130 PolarHBondContact OD1-N 3.36Å; D127-K130 WeakPolarHBondContact OD2-CG 3.4Å; D127-K130 IonicContact OD2-NZ 3.2Å; D127-K130 PolarHBondContact OD2-NZ 2.68Å; D127-G131 PolarHBondContact O-N 2.76Å; D127-T132 PolarHBondContact N-O 3.19Å; D127-T132 PolarHBondContact O-N 2.94Å |
| 128 | K | 88.8 | Confident | 92.3 | Very high | 89 Ų | 89 | 62.4 Ų | 62.4 | 39% | 0.387 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -31.5 | 179.1 | -66.6 | -173.4 | 175.9 | -111.3 | 0 | 113.1 | D106 V107 V126 K130 | D106-K128 PolarHBondContact O-NZ 2.91Å; V107-K128 WeakPolarHBondContact O-CE 3.36Å; V107-K128 PolarHBondContact O-NZ 3.39Å; V126-K128 HydrophobicContact CG1-CG 3.97Å; V126-K128 PolarHBondContact O-N 3.5Å; K128-K130 VanDerWaalsContact C-N 3.3Å; K128-K130 PolarHBondContact O-N 2.9Å |
| 129 | Y | 88.8 | Confident | 92.4 | Very high | 231 Ų | 231 | 59.3 Ų | 59.3 | 91% | 0.906 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -25 | -178.6 | -59.9 | -78.4 | 0 | 0 | 0 | 112.8 | D127 | D127-Y129 PolarHBondContact O-N 3.1Å; D127-Y129 WeakPolarHBondContact OD1-CB 3.06Å; D127-Y129 PolarHBondContact OD1-N 3.22Å; D127-Y129 VanDerWaalsContact OD1-N 3.14Å |
| 130 | K | 89.9 | Confident | 92.2 | Very high | 149 Ų | 149 | 57.9 Ų | 57.9 | 65% | 0.648 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | -10.1 | 176.7 | -61.8 | -165.9 | -168.6 | 82.5 | 0 | 114 | D127 K128 T132 | D127-K130 HydrophobicContact CB-CB 4.49Å; D127-K130 PolarHBondContact O-N 2.99Å; D127-K130 VanDerWaalsContact O-N 3.17Å; D127-K130 PolarHBondContact OD1-N 3.36Å; D127-K130 WeakPolarHBondContact OD2-CG 3.4Å; D127-K130 IonicContact OD2-NZ 3.2Å; D127-K130 PolarHBondContact OD2-NZ 2.68Å; K128-K130 VanDerWaalsContact C-N 3.3Å; K128-K130 PolarHBondContact O-N 2.9Å; K130-T132 VanDerWaalsContact C-N 3.29Å; K130-T132 HydrophobicContact CB-CG2 4.09Å |
| 131 | G | 89.6 | Confident | 92.2 | Very high | 9 Ų | 9 | 59.8 Ų | 59.8 | 9% | 0.093 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | 38.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112 | N102 L103 D127 | N102-G131 PolarHBondContact N-O 3.47Å; N102-G131 VanDerWaalsContact N-O 3.13Å; L103-G131 PolarHBondContact N-O 2.71Å; D127-G131 PolarHBondContact O-N 2.76Å |
| 132 | T | 93.7 | Very high | 92.2 | Very high | 17 Ų | 17 | 59.9 Ų | 59.9 | 10% | 0.104 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 134.6 | -177.9 | 58.7 | 0 | 0 | 0 | 0 | 112.4 | I100 K101 D127 K130 | I100-T132 CarbonylContact O-C 3.35Å; I100-T132 WeakPolarHBondContact O-CA 3.29Å; I100-T132 WeakPolarHBondContact O-CB 3.17Å; K101-T132 HydrophobicContact CB-CG2 4.47Å; K101-T132 HydrophobicContact CG-CG2 4.23Å; D127-T132 PolarHBondContact N-O 3.19Å; D127-T132 PolarHBondContact O-N 2.94Å; K130-T132 VanDerWaalsContact C-N 3.29Å; K130-T132 HydrophobicContact CB-CG2 4.09Å |
| 133 | A | 94 | Very high | 92.3 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 143.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I99 I100 L103 V112 F125 V126 | I99-A133 CarbonylContact C-O 3.52Å; I99-A133 WeakPolarHBondContact CA-O 3.3Å; I100-A133 HydrophobicContact CB-CB 4.17Å; I100-A133 HydrophobicContact CD1-CB 4.33Å; I100-A133 HydrophobicContact CG1-CB 4.39Å; I100-A133 PolarHBondContact N-O 3.44Å; I100-A133 PolarHBondContact O-N 2.67Å; L103-A133 HydrophobicContact CD1-CB 3.68Å; V112-A133 HydrophobicContact CG1-CB 4.09Å; V112-A133 HydrophobicContact CG2-CB 4.39Å; F125-A133 CarbonylContact O-C 3.5Å; F125-A133 WeakPolarHBondContact O-CA 3.28Å; V126-A133 HydrophobicContact CG2-CB 4.02Å |
| 134 | F | 94.7 | Very high | 92.3 | Very high | 57 Ų | 57 | 51.2 Ų | 51.2 | 25% | 0.25 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 117.7 | 173.5 | -63.9 | -94.8 | 0 | 0 | 0 | 108 | I99 F125 | I99-F134 HydrophobicContact CD1-CD1 4.35Å; I99-F134 HydrophobicContact CD1-CE1 3.62Å; I99-F134 HydrophobicContact CD1-CZ 3.8Å; I99-F134 HydrophobicContact CG1-CD1 4.27Å; I99-F134 HydrophobicContact CG1-CE1 4.03Å; I99-F134 HydrophobicContact CG1-CZ 4.35Å; F125-F134 HydrophobicContact CD1-CD2 4.09Å; F125-F134 PolarHBondContact N-O 3.11Å; F125-F134 PolarHBondContact O-N 3.34Å |
| 135 | V | 94.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 135.8 | -175.5 | 177.8 | 0 | 0 | 0 | 0 | 110.3 | K97 I98 V112 L116 L121 Y123 C124 L137 | K97-V135 WeakPolarHBondContact CA-O 3.37Å; I98-V135 HydrophobicContact CD1-CB 4.15Å; I98-V135 HydrophobicContact CD1-CG1 4.47Å; I98-V135 HydrophobicContact CG1-CB 3.74Å; I98-V135 HydrophobicContact CG1-CG1 4.36Å; I98-V135 PolarHBondContact N-O 3.4Å; I98-V135 PolarHBondContact O-N 3.3Å; V112-V135 HydrophobicContact CG1-CG2 4.16Å; L116-V135 HydrophobicContact CD1-CB 4.33Å; L116-V135 HydrophobicContact CD1-CG1 3.92Å; L116-V135 HydrophobicContact CD1-CG2 4.03Å; L121-V135 HydrophobicContact CD2-CG1 3.77Å; L121-V135 HydrophobicContact CD2-CG2 4.43Å; L121-V135 HydrophobicContact CG-CG1 4.21Å; Y123-V135 CarbonylContact O-C 3.49Å; Y123-V135 VanDerWaalsContact O-CA 3.3Å; Y123-V135 WeakPolarHBondContact O-CA 3.09Å; C124-V135 HydrophobicContact CB-CG2 4.42Å; V135-L137 HydrophobicContact CG1-CD1 3.94Å; V135-L137 HydrophobicContact CG1-CG 4.25Å |
| 136 | T | 93.5 | Very high | 92.3 | Very high | 20 Ų | 20 | 48.5 Ų | 48.5 | 12% | 0.123 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 116.3 | 170.4 | -52.6 | 0 | 0 | 0 | 0 | 108.4 | R96 K97 K122 Y123 | R96-T136 HydrophobicContact CG-CG2 3.98Å; K97-T136 HydrophobicContact CG-CG2 4.11Å; K122-T136 PolarHBondContact N-O 3.07Å; Y123-T136 PolarHBondContact N-O 3.29Å; Y123-T136 PolarHBondContact O-N 3.25Å |
| 137 | L | 93.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -87.1 | 178.5 | 178.6 | -62.5 | 89.7 | 0 | 0 | 0 | 110.3 | R96 I98 Y119 D120 V135 Q142 A143 A146 | R96-L137 WeakPolarHBondContact CD-O 3.34Å; R96-L137 PolarHBondContact O-N 3.25Å; I98-L137 HydrophobicContact CB-CD1 4.47Å; I98-L137 HydrophobicContact CD1-CD1 3.77Å; I98-L137 HydrophobicContact CG1-CD1 3.75Å; I98-L137 HydrophobicContact CG2-CD1 4.02Å; Y119-L137 HydrophobicContact CD1-CD2 3.92Å; Y119-L137 HydrophobicContact CG-CD2 4.12Å; D120-L137 CarbonylContact O-C 3.58Å; D120-L137 WeakPolarHBondContact O-CA 3.23Å; V135-L137 HydrophobicContact CG1-CD1 3.94Å; V135-L137 HydrophobicContact CG1-CG 4.25Å; L137-Q142 HydrophobicContact CB-CB 4.13Å; L137-Q142 HydrophobicContact CD2-CB 3.89Å; L137-A143 HydrophobicContact CD1-CB 4.09Å; L137-A146 HydrophobicContact CD2-CB 4.04Å | ||
| 138 | L | 91.6 | Very high | 92.2 | Very high | 53 Ų | 53 | 56.8 Ų | 56.8 | 28% | 0.277 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -61.7 | -52.8 | 177.2 | 165.3 | 57.1 | 0 | 0 | 0 | 111.8 | R96 D120 | R96-L138 VanDerWaalsContact CD-O 3.25Å; R96-L138 WeakPolarHBondContact CD-O 3.1Å; R96-L138 PolarHBondContact NH1-O 3.34Å; D120-L138 HydrophobicContact CB-CB 3.58Å; D120-L138 HydrophobicContact CB-CD2 4.19Å; D120-L138 PolarHBondContact O-N 3.5Å; D120-L138 WeakPolarHBondContact OD2-CD2 3.41Å |
| 139 | N | 91.6 | Very high | 92.4 | Very high | 68 Ų | 68 | 56.4 Ų | 56.4 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -134.8 | 164.9 | -171.8 | -69 | -10.7 | 0 | 0 | 0 | 112.4 | R96 E141 A143 | R96-N139 WeakPolarHBondContact CB-O 3.45Å; N139-E141 VanDerWaalsContact C-N 3.33Å; N139-E141 PolarHBondContact O-N 2.58Å; N139-A143 PolarHBondContact O-N 3.28Å |
| 140 | G | 90.4 | Very high | 92.5 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.4 | -29.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y93 A143 Q144 | Y93-G140 WeakPolarHBondContact O-CA 3.4Å; G140-A143 PolarHBondContact O-N 3.46Å; G140-Q144 WeakPolarHBondContact O-CG 3.26Å; G140-Q144 PolarHBondContact O-N 3.35Å |
| 141 | E | 91.3 | Very high | 92.6 | Very high | 129 Ų | 129 | 42 Ų | 42 | 60% | 0.603 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -63.8 | -50.9 | 175.6 | -70 | 151.6 | -166.7 | 0 | 0 | 111.5 | N139 A143 Q144 C145 | N139-E141 VanDerWaalsContact C-N 3.33Å; N139-E141 PolarHBondContact O-N 2.58Å; E141-A143 PolarHBondContact O-N 3.18Å; E141-Q144 PolarHBondContact O-N 2.9Å; E141-C145 PolarHBondContact O-N 3.25Å; E141-C145 PolarHBondContact O-SG 3.18Å |
| 142 | Q | 93.4 | Very high | 92.6 | Very high | 40 Ų | 40 | 47.3 Ų | 47.3 | 19% | 0.187 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -53.9 | -41.9 | 173.2 | -81.7 | -171 | -2.1 | 0 | 0 | 111.6 | Y119 D120 L137 Q144 C145 A146 | Y119-Q142 HydrophobicContact CD1-CB 3.82Å; Y119-Q142 HydrophobicContact CD1-CG 3.88Å; Y119-Q142 HydrophobicContact CE1-CB 4.29Å; Y119-Q142 HydrophobicContact CE1-CG 4.43Å; Y119-Q142 WeakPolarHBondContact CE1-O 3.29Å; D120-Q142 PolarHBondContact OD2-NE2 3.32Å; L137-Q142 HydrophobicContact CB-CB 4.13Å; L137-Q142 HydrophobicContact CD2-CB 3.89Å; Q142-Q144 PolarHBondContact O-N 3.42Å; Q142-C145 PolarHBondContact O-N 3.26Å; Q142-A146 WeakPolarHBondContact O-CB 3.33Å; Q142-A146 PolarHBondContact O-N 2.79Å |
| 143 | A | 93.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.6 | -36.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | R95 I98 L137 N139 G140 E141 I147 L164 | R95-A143 WeakPolarHBondContact O-CB 3.37Å; I98-A143 HydrophobicContact CG2-CB 3.82Å; L137-A143 HydrophobicContact CD1-CB 4.09Å; N139-A143 PolarHBondContact O-N 3.28Å; G140-A143 PolarHBondContact O-N 3.46Å; E141-A143 PolarHBondContact O-N 3.18Å; A143-I147 VanDerWaalsContact O-CD1 3.31Å; A143-I147 WeakPolarHBondContact O-CD1 3.31Å; A143-I147 WeakPolarHBondContact O-CG1 3.29Å; A143-I147 PolarHBondContact O-N 2.92Å; A143-I147 VanDerWaalsContact O-N 3.09Å; A143-L164 HydrophobicContact CB-CD2 4.25Å |
| 144 | Q | 92.1 | Very high | 92.2 | Very high | 64 Ų | 64 | 55.8 Ų | 55.8 | 30% | 0.299 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -70.7 | -39.7 | 174.6 | -71 | -178.3 | 49.3 | 0 | 0 | 112.4 | G140 E141 Q142 I147 K148 | G140-Q144 WeakPolarHBondContact O-CG 3.26Å; G140-Q144 PolarHBondContact O-N 3.35Å; E141-Q144 PolarHBondContact O-N 2.9Å; Q142-Q144 PolarHBondContact O-N 3.42Å; Q144-I147 PolarHBondContact O-N 2.95Å; Q144-K148 WeakPolarHBondContact O-CG 3.32Å; Q144-K148 PolarHBondContact O-N 2.71Å |
| 145 | C | 93 | Very high | 91.7 | Very high | 60 Ų | 60 | 54.5 Ų | 54.5 | 41% | 0.405 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.6 | -48.6 | 175.1 | -66.3 | 0 | 0 | 0 | 0 | 111.2 | Y119 E141 Q142 I147 K148 E149 | Y119-C145 HydrophobicContact CE1-CB 3.9Å; Y119-C145 WeakPolarHBondContact OH-CB 3.43Å; E141-C145 PolarHBondContact O-N 3.25Å; E141-C145 PolarHBondContact O-SG 3.18Å; Q142-C145 PolarHBondContact O-N 3.26Å; C145-I147 PolarHBondContact O-N 2.96Å; C145-K148 PolarHBondContact O-N 3.01Å; C145-E149 WeakPolarHBondContact O-CB 3.42Å; C145-E149 PolarHBondContact O-N 3.38Å |
| 146 | A | 93.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.1 | -29.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L116 Y119 L137 Q142 F150 | L116-A146 HydrophobicContact CD2-CB 4.19Å; Y119-A146 HydrophobicContact CD1-CB 4.41Å; Y119-A146 HydrophobicContact CE1-CB 4.1Å; Y119-A146 HydrophobicContact CE2-CB 4.29Å; Y119-A146 PolarHBondContact OH-N 2.97Å; L137-A146 HydrophobicContact CD2-CB 4.04Å; Q142-A146 WeakPolarHBondContact O-CB 3.33Å; Q142-A146 PolarHBondContact O-N 2.79Å; A146-F150 HydrophobicContact CB-CD2 4.26Å; A146-F150 WeakPolarHBondContact O-CB 3.36Å; A146-F150 WeakPolarHBondContact O-CD2 3.44Å; A146-F150 PolarHBondContact O-N 2.89Å |
| 147 | I | 93 | Very high | 90.7 | Very high | 35 Ų | 35 | 68.9 Ų | 68.9 | 18% | 0.179 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -69.2 | -49.6 | 169.4 | -72.2 | 162 | 0 | 0 | 0 | 110.8 | I98 A143 Q144 C145 E149 H151 V162 L164 | I98-I147 HydrophobicContact CG2-CD1 4.01Å; I98-I147 HydrophobicContact CG2-CG1 4.13Å; A143-I147 VanDerWaalsContact O-CD1 3.31Å; A143-I147 WeakPolarHBondContact O-CD1 3.31Å; A143-I147 WeakPolarHBondContact O-CG1 3.29Å; A143-I147 PolarHBondContact O-N 2.92Å; A143-I147 VanDerWaalsContact O-N 3.09Å; Q144-I147 PolarHBondContact O-N 2.95Å; C145-I147 PolarHBondContact O-N 2.96Å; I147-E149 VanDerWaalsContact C-N 3.25Å; I147-E149 PolarHBondContact O-N 3.17Å; I147-H151 HydrophobicContact CG2-CB 4.46Å; I147-H151 WeakPolarHBondContact O-CB 3.35Å; I147-H151 PolarHBondContact O-N 2.87Å; I147-V162 HydrophobicContact CG1-CG1 3.86Å; I147-L164 HydrophobicContact CD1-CB 4.32Å; I147-L164 HydrophobicContact CD1-CD2 3.6Å; I147-L164 HydrophobicContact CD1-CG 3.55Å |
| 148 | K | 92.8 | Very high | 90.3 | Very high | 168 Ų | 168 | 73.7 Ų | 73.7 | 73% | 0.73 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61.4 | -33.7 | -180 | -71.7 | 172.4 | -179.2 | -179.8 | 0 | 113 | Q144 C145 | Q144-K148 WeakPolarHBondContact O-CG 3.32Å; Q144-K148 PolarHBondContact O-N 2.71Å; C145-K148 PolarHBondContact O-N 3.01Å |
| 149 | E | 92.2 | Very high | 90.3 | Very high | 81 Ų | 81 | 76 Ų | 76 | 38% | 0.379 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -81.9 | -48.8 | -177.7 | -171.7 | 174.6 | -169.8 | 0 | 0 | 112.2 | Y119 C145 I147 I153 | Y119-E149 VanDerWaalsContact CE2-OE2 3.23Å; Y119-E149 WeakPolarHBondContact CE2-OE2 3.43Å; Y119-E149 VanDerWaalsContact CZ-OE2 3.3Å; Y119-E149 PolarHBondContact OH-OE2 2.9Å; C145-E149 WeakPolarHBondContact O-CB 3.42Å; C145-E149 PolarHBondContact O-N 3.38Å; I147-E149 VanDerWaalsContact C-N 3.25Å; I147-E149 PolarHBondContact O-N 3.17Å; E149-I153 WeakPolarHBondContact O-CD1 3.28Å; E149-I153 WeakPolarHBondContact O-CG1 3.42Å |
| 150 | F | 91.1 | Very high | 90.4 | Very high | 16 Ų | 16 | 72.8 Ų | 72.8 | 7% | 0.07 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -102.7 | -5.4 | -170.1 | -59.7 | -71.2 | 0 | 0 | 0 | 115.5 | L115 L116 Y119 A146 Q152 I153 I160 V162 | L115-F150 HydrophobicContact CD1-CD1 3.64Å; L115-F150 HydrophobicContact CD1-CE1 3.6Å; L115-F150 HydrophobicContact CG-CD1 4.01Å; L115-F150 HydrophobicContact CG-CE1 4.04Å; L115-F150 WeakPolarHBondContact O-CE1 3.38Å; L115-F150 WeakPolarHBondContact O-CZ 3.21Å; L116-F150 HydrophobicContact CD2-CD2 3.58Å; L116-F150 HydrophobicContact CD2-CE2 3.6Å; L116-F150 HydrophobicContact CD2-CG 4.42Å; L116-F150 HydrophobicContact CD2-CZ 4.44Å; Y119-F150 HydrophobicContact CD2-CE2 4.31Å; Y119-F150 AromaticContact CE2-CE2 3.76Å; Y119-F150 HydrophobicContact CE2-CE2 3.76Å; A146-F150 HydrophobicContact CB-CD2 4.26Å; A146-F150 WeakPolarHBondContact O-CB 3.36Å; A146-F150 WeakPolarHBondContact O-CD2 3.44Å; A146-F150 PolarHBondContact O-N 2.89Å; F150-Q152 PolarHBondContact O-N 3.3Å; F150-I153 HydrophobicContact CD1-CD1 4.02Å; F150-I153 PolarHBondContact O-N 3.28Å; F150-I160 HydrophobicContact CB-CD1 4.49Å; F150-I160 WeakPolarHBondContact O-CG1 3.23Å; F150-V162 HydrophobicContact CB-CG2 3.75Å |
| 151 | H | 92.2 | Very high | 90.5 | Very high | 62 Ų | 62 | 73.9 Ų | 73.9 | 29% | 0.287 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | 124.9 | 174.6 | -172.6 | 81.9 | 0 | 0 | 0 | 110.6 | I147 I153 S161 V162 | I147-H151 HydrophobicContact CG2-CB 4.46Å; I147-H151 WeakPolarHBondContact O-CB 3.35Å; I147-H151 PolarHBondContact O-N 2.87Å; H151-I153 VanDerWaalsContact C-N 3.29Å; H151-I153 PolarHBondContact O-N 3.16Å; H151-S161 PolarHBondContact CE1-OG 2.79Å; H151-V162 HydrophobicContact CB-CB 4.47Å; H151-V162 PolarHBondContact ND1-O 2.7Å |
| 152 | Q | 89.8 | Confident | 90.6 | Very high | 120 Ų | 120 | 67.8 Ų | 67.8 | 56% | 0.561 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 15.6 | -177.5 | -53.1 | 172.1 | 25.4 | 0 | 0 | 115 | F150 E159 I160 | F150-Q152 PolarHBondContact O-N 3.3Å; Q152-E159 HydrophobicContact CB-CG 4.1Å; Q152-E159 WeakPolarHBondContact CG-OE1 3.46Å; Q152-I160 WeakPolarHBondContact CA-O 3.25Å; Q152-I160 PolarHBondContact N-O 3.4Å |
| 153 | I | 89.9 | Confident | 90.6 | Very high | 68 Ų | 68 | 69.4 Ų | 69.4 | 35% | 0.349 | 33% | 0.326 | S | S | . | . | trans | -71.3 | 140.8 | 168 | -77.6 | -166.3 | 0 | 0 | 0 | 110.9 | E149 F150 H151 L155 E159 I160 | E149-I153 WeakPolarHBondContact O-CD1 3.28Å; E149-I153 WeakPolarHBondContact O-CG1 3.42Å; F150-I153 HydrophobicContact CD1-CD1 4.02Å; F150-I153 PolarHBondContact O-N 3.28Å; H151-I153 VanDerWaalsContact C-N 3.29Å; H151-I153 PolarHBondContact O-N 3.16Å; I153-L155 PolarHBondContact O-N 2.84Å; I153-E159 WeakPolarHBondContact O-CA 3.41Å; I153-I160 PolarHBondContact O-N 3.39Å | ||
| 154 | I | 88.1 | Confident | 90.6 | Very high | 128 Ų | 128 | 71.8 Ų | 71.8 | 66% | 0.656 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 98.3 | 175.2 | -55.9 | 176.3 | 0 | 0 | 0 | 109.6 | R158 | I154-R158 CarbonylContact C-O 3.56Å; I154-R158 WeakPolarHBondContact CA-O 3.47Å |
| 155 | L | 85.4 | Confident | 90.6 | Very high | 30 Ų | 30 | 71 Ų | 71 | 16% | 0.157 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 110.1 | 170.7 | -176.8 | 69 | 0 | 0 | 0 | 109.5 | L103 L115 I153 E157 R158 I160 | L103-L155 HydrophobicContact CD2-CD2 3.92Å; L115-L155 HydrophobicContact CD2-CD2 4.5Å; I153-L155 PolarHBondContact O-N 2.84Å; L155-E157 PolarHBondContact O-N 2.95Å; L155-R158 PolarHBondContact N-O 3.15Å; L155-R158 PolarHBondContact O-N 3.23Å; L155-I160 HydrophobicContact CB-CD1 4.49Å; L155-I160 HydrophobicContact CB-CG2 3.67Å; L155-I160 HydrophobicContact CD2-CG2 4.2Å |
| 156 | R | 82.4 | Confident | 90.4 | Very high | 131 Ų | 131 | 72.6 Ų | 72.6 | 49% | 0.494 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 58.9 | 174.5 | -58.6 | 179.2 | 59.6 | -150.1 | -18 | 111.9 | P104 D106 E111 R158 | P104-R156 HydrophobicContact CG-CB 4.24Å; D106-R156 IonicContact OD2-CZ 3.75Å; D106-R156 IonicContact OD2-NH1 2.79Å; D106-R156 PolarHBondContact OD2-NH1 2.87Å; D106-R156 IonicContact OD2-NH2 2.81Å; D106-R156 PolarHBondContact OD2-NH2 3.43Å; E111-R156 IonicContact OE1-CZ 3.69Å; E111-R156 IonicContact OE1-NE 4Å; E111-R156 IonicContact OE1-NH1 2.65Å; E111-R156 PolarHBondContact OE1-NH1 3.04Å; R156-R158 PolarHBondContact O-N 2.84Å |
| 157 | E | 83.9 | Confident | 90.1 | Very high | 190 Ų | 190 | 74 Ų | 74 | 89% | 0.888 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 9.6 | -178 | -55.2 | 177.5 | 178.2 | 0 | 0 | 115.7 | L155 | L155-E157 PolarHBondContact O-N 2.95Š|
| 158 | R | 86.4 | Confident | 90 | Very high | 101 Ų | 101 | 76.5 Ų | 76.5 | 38% | 0.381 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 126.4 | 174.4 | -65 | -173.7 | 176.4 | -153 | -8.8 | 112.9 | L103 I154 L155 R156 I160 | L103-R158 PolarHBondContact O-NH1 3.36Å; I154-R158 CarbonylContact C-O 3.56Å; I154-R158 WeakPolarHBondContact CA-O 3.47Å; L155-R158 PolarHBondContact N-O 3.15Å; L155-R158 PolarHBondContact O-N 3.23Å; R156-R158 PolarHBondContact O-N 2.84Å; R158-I160 PolarHBondContact O-N 2.94Å |
| 159 | E | 91.5 | Very high | 90 | Very high | 102 Ų | 102 | 68.8 Ų | 68.8 | 48% | 0.477 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 115.7 | 168.6 | -173.5 | -163 | 136 | 0 | 0 | 110.5 | N102 Q152 I153 | N102-E159 WeakPolarHBondContact CB-O 3.45Å; N102-E159 PolarHBondContact ND2-O 3.42Å; Q152-E159 HydrophobicContact CB-CG 4.1Å; Q152-E159 WeakPolarHBondContact CG-OE1 3.46Å; I153-E159 WeakPolarHBondContact O-CA 3.41Å |
| 160 | I | 92.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.316 | C | S | . | . | trans | -91.7 | 136.9 | 179.4 | 70.9 | 177 | 0 | 0 | 0 | 110.9 | I100 K101 L103 L115 F150 Q152 I153 L155 R158 V162 | I100-I160 HydrophobicContact CG2-CB 4.13Å; I100-I160 HydrophobicContact CG2-CD1 4.27Å; K101-I160 WeakPolarHBondContact O-CA 3.3Å; L103-I160 HydrophobicContact CD2-CG2 3.95Å; L115-I160 HydrophobicContact CD2-CD1 3.71Å; F150-I160 HydrophobicContact CB-CD1 4.49Å; F150-I160 WeakPolarHBondContact O-CG1 3.23Å; Q152-I160 WeakPolarHBondContact CA-O 3.25Å; Q152-I160 PolarHBondContact N-O 3.4Å; I153-I160 PolarHBondContact O-N 3.39Å; L155-I160 HydrophobicContact CB-CD1 4.49Å; L155-I160 HydrophobicContact CB-CG2 3.67Å; L155-I160 HydrophobicContact CD2-CG2 4.2Å; R158-I160 PolarHBondContact O-N 2.94Å; I160-V162 HydrophobicContact CD1-CG2 4.26Å; I160-V162 HydrophobicContact CG1-CG2 4.32Å | ||
| 161 | S | 93 | Very high | 90.4 | Very high | 27 Ų | 27 | 64.2 Ų | 64.2 | 19% | 0.189 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 99.1 | 179.4 | -163.1 | 0 | 0 | 0 | 0 | 110.4 | K101 H151 | K101-S161 PolarHBondContact N-O 2.8Å; K101-S161 PolarHBondContact O-N 3.22Å; H151-S161 PolarHBondContact CE1-OG 2.79Å |
| 162 | V | 93.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 125.4 | 176.4 | -171.5 | 0 | 0 | 0 | 0 | 109.6 | I98 I100 I147 F150 H151 I160 | I98-V162 HydrophobicContact CB-CG1 4.37Å; I98-V162 HydrophobicContact CD1-CG1 3.84Å; I100-V162 HydrophobicContact CB-CG2 4.5Å; I100-V162 HydrophobicContact CG1-CG1 4.34Å; I100-V162 HydrophobicContact CG1-CG2 4.11Å; I100-V162 HydrophobicContact CG2-CG2 4.03Å; I147-V162 HydrophobicContact CG1-CG1 3.86Å; F150-V162 HydrophobicContact CB-CG2 3.75Å; H151-V162 HydrophobicContact CB-CB 4.47Å; H151-V162 PolarHBondContact ND1-O 2.7Å; I160-V162 HydrophobicContact CD1-CG2 4.26Å; I160-V162 HydrophobicContact CG1-CG2 4.32Å |
| 163 | Q | 93.6 | Very high | 90.9 | Very high | 75 Ų | 75 | 55.5 Ų | 55.5 | 35% | 0.35 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 157.3 | -177.4 | -65 | -178.1 | -31.6 | 0 | 0 | 110.3 | I98 I99 Q165 | I98-Q163 CarbonylContact C-O 3.48Å; I98-Q163 VanDerWaalsContact CA-O 3.23Å; I98-Q163 WeakPolarHBondContact CA-O 3.46Å; I98-Q163 WeakPolarHBondContact CB-O 3.08Å; I99-Q163 HydrophobicContact CG2-CB 4.29Å; I99-Q163 PolarHBondContact N-O 2.7Å; I99-Q163 PolarHBondContact O-N 3.46Å; Q163-Q165 PolarHBondContact O-N 3.18Å |
| 164 | L | 92.6 | Very high | 91.2 | Very high | 49 Ų | 49 | 52.4 Ų | 52.4 | 26% | 0.257 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 137.9 | 167.6 | -70.7 | 178.4 | 0 | 0 | 0 | 109.3 | R95 I98 A143 I147 P166 | R95-L164 HydrophobicContact CB-CD1 4.11Å; R95-L164 HydrophobicContact CB-CD2 4.08Å; R95-L164 WeakPolarHBondContact O-CD2 3.38Å; I98-L164 HydrophobicContact CG2-CD2 4.4Å; A143-L164 HydrophobicContact CB-CD2 4.25Å; I147-L164 HydrophobicContact CD1-CB 4.32Å; I147-L164 HydrophobicContact CD1-CD2 3.6Å; I147-L164 HydrophobicContact CD1-CG 3.55Å; L164-P166 WeakPolarHBondContact O-CD 3.27Å |
| 165 | Q | 91.5 | Very high | 91.5 | Very high | 48 Ų | 48 | 48 Ų | 48 | 22% | 0.224 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -60.5 | 127.1 | 179.9 | -173.5 | 177 | -0.6 | 0 | 0 | 109.5 | R95 K97 Q163 T167 | R95-Q165 PolarHBondContact NH2-O 3.12Å; R95-Q165 VanDerWaalsContact NH2-O 3.1Å; K97-Q165 HydrophobicContact CB-CB 3.86Å; K97-Q165 PolarHBondContact O-N 2.93Å; Q163-Q165 PolarHBondContact O-N 3.18Å; Q165-T167 PolarHBondContact O-N 3.09Å |
| 166 | P | 88.4 | Confident | 91.9 | Very high | 93 Ų | 93 | 46.5 Ų | 46.5 | 60% | 0.604 | 23% | 0.227 | S | C | * | . | P | Polyproline II helix | trans | -71.4 | 126.8 | 171 | 29.1 | -32.7 | 0 | 0 | 0 | 108.9 | L164 | L164-P166 WeakPolarHBondContact O-CD 3.27Š|
| 167 | T | 88.4 | Confident | 92.4 | Very high | 31 Ų | 31 | 41.7 Ų | 41.7 | 19% | 0.19 | 21% | 0.213 | C | C | . | . | trans | -124 | 143.6 | -178.4 | 45.1 | 0 | 0 | 0 | 0 | 110.1 | Q165 E216 V247 | Q165-T167 PolarHBondContact O-N 3.09Å; T167-E216 WeakPolarHBondContact CB-OE1 3.44Å; T167-E216 WeakPolarHBondContact CG2-OE1 3.45Å; T167-E216 PolarHBondContact OG1-OE1 3.48Å; T167-V247 WeakPolarHBondContact OG1-CG2 3.39Å | ||
| 168 | D | 89.4 | Confident | 92.5 | Very high | 87 Ų | 87 | 34.3 Ų | 34.3 | 47% | 0.465 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -117.9 | 26.1 | -179.2 | 61.2 | -2 | 0 | 0 | 0 | 111.7 | K220 W244 | D168-K220 VanDerWaalsContact OD2-CD 3.31Å; D168-K220 WeakPolarHBondContact OD2-CD 3.18Å; D168-K220 WeakPolarHBondContact OD2-CE 3.31Å; D168-K220 IonicContact OD2-NZ 3.72Å; D168-K220 PolarHBondContact OD2-NZ 3.26Å; D168-W244 VanDerWaalsContact O-CZ3 3.3Å; D168-W244 WeakPolarHBondContact O-CZ3 3.3Å |
| 169 | A | 94 | Very high | 92.5 | Very high | 5 Ų | 5 | 31.9 Ų | 31.9 | 4% | 0.041 | 18% | 0.178 | C | C | . | . | trans | -113.8 | 13.3 | -177 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y217 A223 | A169-Y217 WeakPolarHBondContact CB-O 3.42Å; A169-Y217 PolarHBondContact O-N 3.08Å; A169-Y217 VanDerWaalsContact O-N 3.1Å; A169-A223 HydrophobicContact CB-CB 4.24Å; A169-A223 WeakPolarHBondContact O-CB 3.28Å | ||
| 170 | L | 94.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 132.1 | 175.2 | 177.3 | 69.7 | 0 | 0 | 0 | 111.3 | F214 E216 T245 V247 L250 | L170-F214 HydrophobicContact CD1-CB 4.17Å; L170-F214 HydrophobicContact CD1-CD1 4.04Å; L170-F214 HydrophobicContact CD2-CD1 4.27Å; L170-F214 HydrophobicContact CG-CD1 4.33Å; L170-E216 HydrophobicContact CB-CB 4.47Å; L170-E216 HydrophobicContact CB-CG 4.38Å; L170-E216 HydrophobicContact CD1-CB 3.95Å; L170-T245 PolarHBondContact O-N 2.79Å; L170-T245 VanDerWaalsContact O-N 3.15Å; L170-V247 HydrophobicContact CB-CG2 3.66Å; L170-V247 HydrophobicContact CD2-CB 4.3Å; L170-V247 HydrophobicContact CD2-CG1 4.19Å; L170-V247 HydrophobicContact CD2-CG2 3.73Å; L170-V247 HydrophobicContact CG-CG2 4.31Å; L170-L250 HydrophobicContact CD2-CD1 3.45Å; L170-L250 VanDerWaalsContact CD2-CD1 3.45Å |
| 171 | L | 96.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 147.5 | 170.5 | -57.6 | 174.3 | 0 | 0 | 0 | 110.8 | F214 V215 Y217 A223 A226 K227 V242 H243 W244 | L171-F214 WeakPolarHBondContact O-CA 3.4Å; L171-V215 HydrophobicContact CB-CG1 3.99Å; L171-V215 HydrophobicContact CD1-CG1 4.42Å; L171-V215 PolarHBondContact N-O 3.29Å; L171-V215 PolarHBondContact O-N 2.94Å; L171-Y217 HydrophobicContact CD1-CE2 4.12Å; L171-A223 HydrophobicContact CD1-CB 4.36Å; L171-A223 WeakPolarHBondContact CD1-O 3.4Å; L171-A223 HydrophobicContact CG-CB 4.28Å; L171-A226 HydrophobicContact CD1-CB 3.92Å; L171-K227 HydrophobicContact CD1-CB 4.1Å; L171-K227 HydrophobicContact CD2-CB 4.03Å; L171-K227 HydrophobicContact CD2-CD 4.29Å; L171-K227 HydrophobicContact CD2-CG 4.49Å; L171-V242 HydrophobicContact CB-CG1 4.13Å; L171-V242 HydrophobicContact CD1-CG1 3.95Å; L171-V242 HydrophobicContact CD2-CG1 4.21Å; L171-V242 HydrophobicContact CG-CG1 4.34Å; L171-H243 VanDerWaalsContact CA-O 3.29Å; L171-H243 WeakPolarHBondContact CA-O 3.31Å; L171-W244 HydrophobicContact CD2-CD2 3.76Å; L171-W244 HydrophobicContact CD2-CE3 3.35Å; L171-W244 HydrophobicContact CD2-CG 4.45Å; L171-W244 HydrophobicContact CD2-CH2 4.27Å; L171-W244 HydrophobicContact CD2-CZ3 3.65Å; L171-W244 HydrophobicContact CG-CE3 4.44Å; L171-W244 HydrophobicContact CG-CZ3 4.47Å |
| 172 | C | 96.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 130 | 155.7 | -174.9 | 0 | 0 | 0 | 0 | 109.1 | G213 F214 V242 H243 A335 | C172-G213 WeakPolarHBondContact CA-O 3.24Å; C172-F214 HydrophobicContact CB-CD1 3.96Å; C172-F214 HydrophobicContact CB-CE1 3.71Å; C172-F214 HydrophobicContact CB-CZ 4.34Å; C172-V242 WeakPolarHBondContact O-CA 3.17Å; C172-H243 PolarHBondContact N-O 2.89Å; C172-H243 PolarHBondContact O-N 3.19Å; C172-A335 HydrophobicContact CB-CB 4.19Å |
| 173 | I | 96.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 121.4 | 174.6 | -61.5 | 164 | 0 | 0 | 0 | 107 | L176 F185 V189 Y212 G213 V215 L230 L240 Y241 V242 | I173-L176 HydrophobicContact CG2-CD1 4.43Å; I173-L176 HydrophobicContact CG2-CD2 4.15Å; I173-L176 HydrophobicContact CG2-CG 4.33Å; I173-F185 HydrophobicContact CB-CE2 3.98Å; I173-F185 HydrophobicContact CB-CZ 4.34Å; I173-F185 HydrophobicContact CD1-CE2 3.84Å; I173-F185 HydrophobicContact CD1-CZ 4.04Å; I173-F185 HydrophobicContact CG1-CE2 4.49Å; I173-F185 HydrophobicContact CG2-CE2 4.21Å; I173-V189 HydrophobicContact CD1-CG1 3.48Å; I173-V189 VanDerWaalsContact CD1-CG1 3.48Å; I173-Y212 CarbonylContact O-C 3.51Å; I173-Y212 WeakPolarHBondContact O-CA 3.37Å; I173-Y212 VanDerWaalsContact O-CB 3.31Å; I173-Y212 WeakPolarHBondContact O-CB 3.17Å; I173-G213 PolarHBondContact N-O 3.08Å; I173-G213 PolarHBondContact O-N 2.87Å; I173-V215 HydrophobicContact CD1-CG1 3.6Å; I173-V215 HydrophobicContact CG1-CG1 4.34Å; I173-L230 HydrophobicContact CD1-CD1 3.72Å; I173-L240 HydrophobicContact CG2-CD1 4.5Å; I173-Y241 CarbonylContact C-O 3.43Å; I173-Y241 WeakPolarHBondContact CA-O 3.33Å; I173-V242 HydrophobicContact CB-CG2 4.43Å; I173-V242 HydrophobicContact CG1-CG1 4.04Å; I173-V242 HydrophobicContact CG1-CG2 3.98Å; I173-V242 HydrophobicContact CG2-CG2 4.26Å |
| 174 | A | 96 | Very high | 92.4 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 2% | 0.017 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 171.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L176 G211 Y241 A335 | A174-L176 VanDerWaalsContact C-N 3.29Å; A174-G211 CarbonylContact C-O 3.5Å; A174-Y241 HydrophobicContact CB-CD1 4.44Å; A174-Y241 PolarHBondContact N-O 3.35Å; A174-Y241 PolarHBondContact O-N 2.86Å; A174-A335 HydrophobicContact CB-CB 4.07Å |
| 175 | N | 94 | Very high | 92.5 | Very high | 35 Ų | 35 | 35.5 Ų | 35.5 | 19% | 0.187 | 20% | 0.195 | C | C | . | . | S | Bend | trans | 61.2 | 33.6 | -168.7 | -161.3 | 22.5 | 0 | 0 | 0 | 113.6 | G211 R238 M239 | N175-G211 PolarHBondContact N-O 3.37Å; N175-R238 WeakPolarHBondContact O-CB 3.44Å; N175-M239 PolarHBondContact ND2-N 2.66Å; N175-M239 PolarHBondContact ND2-O 2.75Å |
| 176 | L | 94.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -70 | 155.2 | 166.6 | -63 | 162.9 | 0 | 0 | 0 | 109.9 | I173 A174 F180 F185 L188 L200 G211 L235 R238 L240 | I173-L176 HydrophobicContact CG2-CD1 4.43Å; I173-L176 HydrophobicContact CG2-CD2 4.15Å; I173-L176 HydrophobicContact CG2-CG 4.33Å; A174-L176 VanDerWaalsContact C-N 3.29Å; L176-F180 HydrophobicContact CD1-CD1 4.49Å; L176-F180 HydrophobicContact CD2-CD1 3.9Å; L176-F180 HydrophobicContact CD2-CE1 3.95Å; L176-F185 HydrophobicContact CD1-CD2 3.75Å; L176-F185 HydrophobicContact CD1-CE2 3.84Å; L176-F185 HydrophobicContact CD2-CD2 4.45Å; L176-L188 HydrophobicContact CD2-CD2 4.18Å; L176-L200 HydrophobicContact CD1-CD2 3.64Å; L176-G211 WeakPolarHBondContact CB-O 3.5Å; L176-G211 PolarHBondContact N-O 3.3Å; L176-L235 HydrophobicContact CD2-CD2 4.11Å; L176-R238 PolarHBondContact O-NH1 2.78Å; L176-L240 HydrophobicContact CD2-CD1 4.39Å; L176-L240 HydrophobicContact CD2-CD2 3.67Å; L176-L240 HydrophobicContact CG-CD2 4.28Å | ||
| 177 | P | 91.8 | Very high | 93 | Very high | 29 Ų | 29 | 37 Ų | 37 | 19% | 0.188 | 19% | 0.193 | C | C | . | . | trans | -59.1 | 148.3 | 164.6 | -21.9 | 33.5 | 0 | 0 | 0 | 111.6 | A179 F180 L235 | P177-A179 VanDerWaalsContact C-N 3.33Å; P177-F180 HydrophobicContact CB-CB 4.35Å; P177-F180 VanDerWaalsContact O-CB 3.24Å; P177-F180 WeakPolarHBondContact O-CB 3.49Å; P177-F180 PolarHBondContact O-N 2.88Å; P177-L235 HydrophobicContact CG-CD2 4.31Å; P177-L235 HydrophobicContact CG-CG 4.44Å | ||
| 178 | R | 85.9 | Confident | 93.3 | Very high | 36 Ų | 36 | 36.8 Ų | 36.8 | 14% | 0.136 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -31 | 176.4 | -70 | -172.1 | -66.2 | -112.2 | 4.7 | 112.9 | D70 L73 F180 D320 | D70-R178 PolarHBondContact O-NH2 2.87Å; L73-R178 HydrophobicContact CD2-CB 4.32Å; R178-F180 PolarHBondContact O-N 3.41Å; R178-D320 IonicContact CZ-OD2 2.63Å; R178-D320 IonicContact NH1-OD1 3.05Å; R178-D320 IonicContact NH1-OD2 2.59Å; R178-D320 PolarHBondContact NH1-OD2 3Å; R178-D320 IonicContact NH2-OD2 3.48Å; R178-D320 PolarHBondContact NH2-OD2 3.25Å |
| 179 | A | 87.2 | Confident | 93.6 | Very high | 49 Ų | 49 | 32.6 Ų | 32.6 | 41% | 0.405 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -19.7 | 172 | 0 | 0 | 0 | 0 | 0 | 114.1 | E71 P177 T181 | E71-A179 WeakPolarHBondContact OE2-CB 3.49Å; P177-A179 VanDerWaalsContact C-N 3.33Å; A179-T181 PolarHBondContact O-N 2.81Å |
| 180 | F | 89.1 | Confident | 93.7 | Very high | 30 Ų | 30 | 40 Ų | 40 | 13% | 0.132 | 20% | 0.196 | C | C | . | . | trans | -70.7 | 121.7 | -166.4 | -153 | -122.5 | 0 | 0 | 0 | 111.3 | L176 P177 R178 Q184 F185 L188 L200 L235 | L176-F180 HydrophobicContact CD1-CD1 4.49Å; L176-F180 HydrophobicContact CD2-CD1 3.9Å; L176-F180 HydrophobicContact CD2-CE1 3.95Å; P177-F180 HydrophobicContact CB-CB 4.35Å; P177-F180 VanDerWaalsContact O-CB 3.24Å; P177-F180 WeakPolarHBondContact O-CB 3.49Å; P177-F180 PolarHBondContact O-N 2.88Å; R178-F180 PolarHBondContact O-N 3.41Å; F180-Q184 HydrophobicContact CD1-CB 4.43Å; F180-Q184 HydrophobicContact CD2-CB 3.92Å; F180-Q184 HydrophobicContact CE1-CB 4.17Å; F180-Q184 HydrophobicContact CE2-CB 3.61Å; F180-Q184 HydrophobicContact CE2-CG 4.44Å; F180-Q184 HydrophobicContact CG-CB 4.32Å; F180-Q184 HydrophobicContact CZ-CB 3.74Å; F180-Q184 WeakPolarHBondContact CZ-O 3.4Å; F180-F185 HydrophobicContact CD1-CB 4.16Å; F180-F185 HydrophobicContact CE1-CB 4.07Å; F180-F185 HydrophobicContact CE1-CD2 4.37Å; F180-L188 HydrophobicContact CE1-CB 4.42Å; F180-L188 HydrophobicContact CE1-CD2 3.85Å; F180-L188 HydrophobicContact CZ-CB 4.25Å; F180-L188 HydrophobicContact CZ-CD2 3.98Å; F180-L200 VanDerWaalsContact O-CD1 3.26Å; F180-L200 WeakPolarHBondContact O-CD1 3.47Å; F180-L235 HydrophobicContact CD2-CD2 4.45Å; F180-L235 HydrophobicContact CE1-CD2 4.36Å; F180-L235 HydrophobicContact CE2-CD2 4.04Å; F180-L235 HydrophobicContact CZ-CD2 3.99Å | ||
| 181 | T | 92.3 | Very high | 93.8 | Very high | 64 Ų | 64 | 44.8 Ų | 44.8 | 39% | 0.393 | 23% | 0.227 | S | C | . | . | trans | -83 | 161.3 | -174 | 77.5 | 0 | 0 | 0 | 0 | 112.1 | A179 Q183 Q184 F185 | A179-T181 PolarHBondContact O-N 2.81Å; T181-Q183 PolarHBondContact O-N 2.92Å; T181-Q184 PolarHBondContact O-N 2.99Å; T181-Q184 WeakPolarHBondContact OG1-CG 3.5Å; T181-Q184 PolarHBondContact OG1-N 3.44Å; T181-F185 WeakPolarHBondContact O-CB 3.36Å; T181-F185 PolarHBondContact O-N 2.99Å | ||
| 182 | Q | 92.6 | Very high | 93.8 | Very high | 26 Ų | 26 | 45.6 Ų | 45.6 | 12% | 0.121 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.8 | -38.5 | 174.7 | 172.8 | 59.8 | 33.7 | 0 | 0 | 112.2 | F185 E186 C198 | Q182-F185 PolarHBondContact O-N 2.86Å; Q182-E186 PolarHBondContact O-N 3.2Å; Q182-C198 PolarHBondContact NE2-O 3.14Å |
| 183 | Q | 93.9 | Very high | 93.7 | Very high | 129 Ų | 129 | 46.3 Ų | 46.3 | 60% | 0.603 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -67 | -47.5 | 178 | -179.9 | -177.4 | -21.5 | 0 | 0 | 111.1 | T181 F185 E186 E187 | T181-Q183 PolarHBondContact O-N 2.92Å; Q183-F185 PolarHBondContact O-N 2.86Å; Q183-E186 PolarHBondContact O-N 3.34Å; Q183-E186 VanDerWaalsContact O-N 3.1Å; Q183-E187 HydrophobicContact CG-CG 4.43Å; Q183-E187 WeakPolarHBondContact CG-OE1 3.31Å; Q183-E187 PolarHBondContact NE2-OE1 3.47Å; Q183-E187 WeakPolarHBondContact O-CB 3.29Å; Q183-E187 WeakPolarHBondContact O-CG 3.31Å; Q183-E187 PolarHBondContact O-N 3.48Å |
| 184 | Q | 94.6 | Very high | 93.6 | Very high | 81 Ų | 81 | 51.8 Ų | 51.8 | 38% | 0.379 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.4 | -33.8 | 176.4 | -68.3 | 167.2 | -14.6 | 0 | 0 | 111.9 | F180 T181 L188 | F180-Q184 HydrophobicContact CD1-CB 4.43Å; F180-Q184 HydrophobicContact CD2-CB 3.92Å; F180-Q184 HydrophobicContact CE1-CB 4.17Å; F180-Q184 HydrophobicContact CE2-CB 3.61Å; F180-Q184 HydrophobicContact CE2-CG 4.44Å; F180-Q184 HydrophobicContact CG-CB 4.32Å; F180-Q184 HydrophobicContact CZ-CB 3.74Å; F180-Q184 WeakPolarHBondContact CZ-O 3.4Å; T181-Q184 PolarHBondContact O-N 2.99Å; T181-Q184 WeakPolarHBondContact OG1-CG 3.5Å; T181-Q184 PolarHBondContact OG1-N 3.44Å; Q184-L188 VanDerWaalsContact O-CB 3.31Å; Q184-L188 WeakPolarHBondContact O-CB 3.3Å; Q184-L188 PolarHBondContact O-N 3.37Å |
| 185 | F | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.9 | -42.3 | 172.9 | -177.2 | -116.5 | 0 | 0 | 0 | 112.5 | I173 L176 F180 T181 Q182 Q183 L188 V189 L200 | I173-F185 HydrophobicContact CB-CE2 3.98Å; I173-F185 HydrophobicContact CB-CZ 4.34Å; I173-F185 HydrophobicContact CD1-CE2 3.84Å; I173-F185 HydrophobicContact CD1-CZ 4.04Å; I173-F185 HydrophobicContact CG1-CE2 4.49Å; I173-F185 HydrophobicContact CG2-CE2 4.21Å; L176-F185 HydrophobicContact CD1-CD2 3.75Å; L176-F185 HydrophobicContact CD1-CE2 3.84Å; L176-F185 HydrophobicContact CD2-CD2 4.45Å; F180-F185 HydrophobicContact CD1-CB 4.16Å; F180-F185 HydrophobicContact CE1-CB 4.07Å; F180-F185 HydrophobicContact CE1-CD2 4.37Å; T181-F185 WeakPolarHBondContact O-CB 3.36Å; T181-F185 PolarHBondContact O-N 2.99Å; Q182-F185 PolarHBondContact O-N 2.86Å; Q183-F185 PolarHBondContact O-N 2.86Å; F185-L188 PolarHBondContact O-N 3.17Å; F185-V189 HydrophobicContact CE2-CG1 4.16Å; F185-V189 HydrophobicContact CZ-CG1 4.44Å; F185-V189 WeakPolarHBondContact O-CG1 3.46Å; F185-V189 WeakPolarHBondContact O-CG2 3.34Å; F185-V189 PolarHBondContact O-N 2.87Å; F185-L200 HydrophobicContact CB-CD1 4.2Å; F185-L200 HydrophobicContact CB-CD2 3.87Å; F185-L200 HydrophobicContact CB-CG 3.96Å; F185-L200 HydrophobicContact CD1-CD2 3.8Å; F185-L200 HydrophobicContact CD1-CG 3.97Å; F185-L200 HydrophobicContact CD2-CD2 3.87Å; F185-L200 HydrophobicContact CE1-CD2 4.32Å; F185-L200 HydrophobicContact CE2-CD2 4.39Å; F185-L200 HydrophobicContact CG-CD2 3.56Å; F185-L200 HydrophobicContact CG-CG 3.99Å |
| 186 | E | 95.4 | Very high | 93.4 | Very high | 61 Ų | 61 | 53.4 Ų | 53.4 | 29% | 0.285 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.5 | -46.9 | 174 | -158.1 | -165.8 | 134.4 | 0 | 0 | 111.6 | Q182 Q183 L188 V189 R190 L195 | Q182-E186 PolarHBondContact O-N 3.2Å; Q183-E186 PolarHBondContact O-N 3.34Å; Q183-E186 VanDerWaalsContact O-N 3.1Å; E186-L188 PolarHBondContact O-N 3.3Å; E186-V189 WeakPolarHBondContact O-CG2 3.44Å; E186-V189 PolarHBondContact O-N 2.73Å; E186-R190 WeakPolarHBondContact O-CB 3.32Å; E186-R190 PolarHBondContact O-N 3.46Å; E186-R190 IonicContact OE1-CZ 2.8Å; E186-R190 IonicContact OE1-NH1 3.15Å; E186-R190 PolarHBondContact OE1-NH1 2.85Å; E186-L195 HydrophobicContact CG-CD1 3.7Å |
| 187 | E | 95.5 | Very high | 93.4 | Very high | 110 Ų | 110 | 53.6 Ų | 53.6 | 51% | 0.514 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.3 | -34.6 | 177.3 | -72.6 | 169.9 | -177.1 | 0 | 0 | 112.7 | Q183 P191 | Q183-E187 HydrophobicContact CG-CG 4.43Å; Q183-E187 WeakPolarHBondContact CG-OE1 3.31Å; Q183-E187 PolarHBondContact NE2-OE1 3.47Å; Q183-E187 WeakPolarHBondContact O-CB 3.29Å; Q183-E187 WeakPolarHBondContact O-CG 3.31Å; Q183-E187 PolarHBondContact O-N 3.48Å; E187-P191 VanDerWaalsContact O-CD 3.25Å; E187-P191 WeakPolarHBondContact O-CD 3.39Å |
| 188 | L | 94.5 | Very high | 93.5 | Very high | 27 Ų | 27 | 52.5 Ų | 52.5 | 14% | 0.141 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.8 | -30.4 | 175.6 | 177.9 | 63.3 | 0 | 0 | 0 | 113.4 | L176 F180 Q184 F185 E186 F192 L230 L235 L240 | L176-L188 HydrophobicContact CD2-CD2 4.18Å; F180-L188 HydrophobicContact CE1-CB 4.42Å; F180-L188 HydrophobicContact CE1-CD2 3.85Å; F180-L188 HydrophobicContact CZ-CB 4.25Å; F180-L188 HydrophobicContact CZ-CD2 3.98Å; Q184-L188 VanDerWaalsContact O-CB 3.31Å; Q184-L188 WeakPolarHBondContact O-CB 3.3Å; Q184-L188 PolarHBondContact O-N 3.37Å; F185-L188 PolarHBondContact O-N 3.17Å; E186-L188 PolarHBondContact O-N 3.3Å; L188-F192 WeakPolarHBondContact O-CE2 3.4Å; L188-L230 HydrophobicContact CD1-CD2 3.87Å; L188-L230 HydrophobicContact CG-CD2 4.13Å; L188-L235 HydrophobicContact CD2-CD2 4.4Å; L188-L240 HydrophobicContact CD2-CD1 4.03Å |
| 189 | V | 96.2 | Very high | 94 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -108.6 | -28.7 | -170.5 | -55.9 | 0 | 0 | 0 | 0 | 113.9 | I173 F185 E186 P191 F192 L195 V215 Y217 L230 | I173-V189 HydrophobicContact CD1-CG1 3.48Å; I173-V189 VanDerWaalsContact CD1-CG1 3.48Å; F185-V189 HydrophobicContact CE2-CG1 4.16Å; F185-V189 HydrophobicContact CZ-CG1 4.44Å; F185-V189 WeakPolarHBondContact O-CG1 3.46Å; F185-V189 WeakPolarHBondContact O-CG2 3.34Å; F185-V189 PolarHBondContact O-N 2.87Å; E186-V189 WeakPolarHBondContact O-CG2 3.44Å; E186-V189 PolarHBondContact O-N 2.73Å; V189-P191 VanDerWaalsContact C-N 3.33Å; V189-F192 VanDerWaalsContact O-CD2 3.27Å; V189-F192 WeakPolarHBondContact O-CD2 3.44Å; V189-F192 PolarHBondContact O-N 3.37Å; V189-F192 VanDerWaalsContact O-N 3.16Å; V189-L195 HydrophobicContact CG2-CD1 3.82Å; V189-L195 HydrophobicContact CG2-CD2 4.23Å; V189-V215 HydrophobicContact CB-CG2 4.12Å; V189-V215 HydrophobicContact CG1-CG1 4.38Å; V189-V215 HydrophobicContact CG2-CB 4.33Å; V189-V215 HydrophobicContact CG2-CG2 3.74Å; V189-Y217 WeakPolarHBondContact CB-OH 3.36Å; V189-Y217 PolarHBondContact O-OH 3.45Å; V189-Y217 VanDerWaalsContact O-OH 3.13Å; V189-L230 HydrophobicContact CG1-CD1 4.05Å |
| 190 | R | 95.7 | Very high | 94.4 | Very high | 160 Ų | 160 | 48.6 Ų | 48.6 | 60% | 0.604 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -54.4 | -32.3 | 179.2 | -171.9 | 169.1 | 177.8 | 128.5 | -2.8 | 115.2 | E186 F192 G193 L195 | E186-R190 WeakPolarHBondContact O-CB 3.32Å; E186-R190 PolarHBondContact O-N 3.46Å; E186-R190 IonicContact OE1-CZ 2.8Å; E186-R190 IonicContact OE1-NH1 3.15Å; E186-R190 PolarHBondContact OE1-NH1 2.85Å; R190-F192 PolarHBondContact O-N 3.05Å; R190-G193 PolarHBondContact O-N 2.92Å; R190-L195 HydrophobicContact CB-CD1 4.45Å |
| 191 | P | 96.5 | Very high | 94.7 | Very high | 101 Ų | 101 | 47.3 Ų | 47.3 | 66% | 0.656 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -60.8 | -23.9 | 176.3 | -27.3 | 36.9 | 0 | 0 | 0 | 115.1 | E187 V189 G193 | E187-P191 VanDerWaalsContact O-CD 3.25Å; E187-P191 WeakPolarHBondContact O-CD 3.39Å; V189-P191 VanDerWaalsContact C-N 3.33Å; P191-G193 VanDerWaalsContact C-N 3.34Å |
| 192 | F | 95.8 | Very high | 94.8 | Very high | 17 Ų | 17 | 45 Ų | 45 | 8% | 0.075 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -81 | -13.9 | -176.9 | -55.8 | -65.4 | 0 | 0 | 0 | 113.9 | L188 V189 R190 Y217 S222 R225 A226 E229 L230 | L188-F192 WeakPolarHBondContact O-CE2 3.4Å; V189-F192 VanDerWaalsContact O-CD2 3.27Å; V189-F192 WeakPolarHBondContact O-CD2 3.44Å; V189-F192 PolarHBondContact O-N 3.37Å; V189-F192 VanDerWaalsContact O-N 3.16Å; R190-F192 PolarHBondContact O-N 3.05Å; F192-Y217 HydrophobicContact CB-CE1 3.85Å; F192-S222 VanDerWaalsContact O-CB 3.23Å; F192-S222 WeakPolarHBondContact O-CB 3.06Å; F192-S222 PolarHBondContact O-OG 3.05Å; F192-R225 PolarHBondContact O-NH2 3.44Å; F192-A226 HydrophobicContact CB-CB 3.69Å; F192-A226 HydrophobicContact CD1-CB 4.37Å; F192-A226 HydrophobicContact CD2-CB 3.63Å; F192-A226 HydrophobicContact CE2-CB 4.45Å; F192-A226 HydrophobicContact CG-CB 3.61Å; F192-E229 HydrophobicContact CE1-CB 3.99Å; F192-E229 HydrophobicContact CE1-CG 4.43Å; F192-E229 WeakPolarHBondContact CE1-OE2 3.47Å; F192-E229 HydrophobicContact CZ-CB 4.18Å; F192-E229 HydrophobicContact CZ-CG 4.47Å; F192-L230 HydrophobicContact CD2-CD1 4.18Å; F192-L230 HydrophobicContact CD2-CG 4.47Å; F192-L230 HydrophobicContact CE2-CD1 3.68Å; F192-L230 HydrophobicContact CE2-CD2 3.76Å; F192-L230 HydrophobicContact CE2-CG 3.62Å; F192-L230 HydrophobicContact CZ-CD2 3.97Å; F192-L230 HydrophobicContact CZ-CG 3.97Å |
| 193 | G | 94.1 | Very high | 94.8 | Very high | 16 Ų | 16 | 44 Ų | 44 | 17% | 0.165 | 22% | 0.218 | C | C | . | . | S | Bend | trans | 148.6 | 174 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R190 P191 L195 | R190-G193 PolarHBondContact O-N 2.92Å; P191-G193 VanDerWaalsContact C-N 3.34Å; G193-L195 WeakPolarHBondContact O-CD2 3.4Å |
| 194 | N | 94.8 | Very high | 94.5 | Very high | 115 Ų | 115 | 40.7 Ų | 40.7 | 62% | 0.615 | 21% | 0.213 | S | C | * | . | trans | -60.4 | 137 | 179.7 | -63.6 | 16.2 | 0 | 0 | 0 | 111.8 | Y217 M218 | N194-Y217 WeakPolarHBondContact O-CA 3.29Å; N194-M218 HydrophobicContact CB-CB 4.35Å; N194-M218 HydrophobicContact CB-CG 3.52Å; N194-M218 HydrophobicContact CB-SD 3.41Å; N194-M218 WeakPolarHBondContact CB-SD 3.14Å; N194-M218 PolarHBondContact O-N 2.88Å | ||
| 195 | L | 94.5 | Very high | 94.1 | Very high | 41 Ų | 41 | 40.2 Ų | 40.2 | 22% | 0.215 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 144.5 | -179.7 | -44.5 | -178 | 0 | 0 | 0 | 110.1 | E186 V189 R190 G193 C198 V215 E216 Y217 | E186-L195 HydrophobicContact CG-CD1 3.7Å; V189-L195 HydrophobicContact CG2-CD1 3.82Å; V189-L195 HydrophobicContact CG2-CD2 4.23Å; R190-L195 HydrophobicContact CB-CD1 4.45Å; G193-L195 WeakPolarHBondContact O-CD2 3.4Å; L195-C198 HydrophobicContact CD1-CB 3.82Å; L195-V215 HydrophobicContact CD2-CG2 3.64Å; L195-E216 CarbonylContact C-O 3.59Å; L195-E216 WeakPolarHBondContact CA-O 3.38Å; L195-Y217 HydrophobicContact CD2-CD1 3.67Å; L195-Y217 HydrophobicContact CD2-CE1 3.43Å; L195-Y217 VanDerWaalsContact CD2-CE1 3.43Å; L195-Y217 HydrophobicContact CD2-CG 4.46Å |
| 196 | E | 92.3 | Very high | 93.7 | Very high | 29 Ų | 29 | 41.3 Ų | 41.3 | 14% | 0.136 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -37 | 167.9 | -65.8 | -81 | 166.5 | 0 | 0 | 111.1 | K97 E216 M218 | K97-E196 VanDerWaalsContact CE-CD 3.44Å; K97-E196 WeakPolarHBondContact CE-OE1 3.42Å; K97-E196 VanDerWaalsContact CE-OE2 3.23Å; K97-E196 WeakPolarHBondContact CE-OE2 3.42Å; K97-E196 IonicContact NZ-OE1 3.77Å; K97-E196 PolarHBondContact NZ-OE1 2.97Å; K97-E196 IonicContact NZ-OE2 2.66Å; K97-E196 PolarHBondContact NZ-OE2 3.28Å; E196-E216 HydrophobicContact CB-CB 4.47Å; E196-E216 HydrophobicContact CB-CG 4.39Å; E196-E216 PolarHBondContact N-O 3.37Å; E196-M218 HydrophobicContact CG-CB 4.46Å; E196-M218 HydrophobicContact CG-CG 4.04Å; E196-M218 VanDerWaalsContact OE1-CE 3.26Å; E196-M218 WeakPolarHBondContact OE1-CE 3.34Å; E196-M218 VanDerWaalsContact OE1-CG 3.28Å; E196-M218 WeakPolarHBondContact OE1-CG 3.31Å |
| 197 | R | 92.7 | Very high | 93.3 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.015 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 138.2 | 177.2 | -57.8 | -175.4 | -61.1 | 131.3 | 11.8 | 109.4 | E91 F92 N94 F199 E216 V247 | E91-R197 WeakPolarHBondContact O-CD 3.48Å; E91-R197 WeakPolarHBondContact OE2-CA 3.4Å; F92-R197 PolarHBondContact O-NH1 2.98Å; N94-R197 HydrophobicContact CB-CG 4.38Å; R197-F199 HydrophobicContact CB-CE1 4.45Å; R197-E216 HydrophobicContact CB-CB 4.31Å; R197-E216 IonicContact CZ-OE2 3.32Å; R197-E216 IonicContact NE-OE2 2.69Å; R197-E216 PolarHBondContact NE-OE2 2.87Å; R197-E216 IonicContact NH2-OE2 2.73Å; R197-E216 PolarHBondContact NH2-OE2 2.99Å; R197-E216 PolarHBondContact O-N 3.28Å; R197-V247 VanDerWaalsContact NH2-CG1 3.31Å |
| 198 | C | 95.4 | Very high | 93.1 | Very high | 6 Ų | 6 | 34.8 Ų | 34.8 | 4% | 0.041 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 114.2 | 178.1 | -173.8 | 0 | 0 | 0 | 0 | 111.4 | E91 Q182 L195 F214 | E91-C198 PolarHBondContact OE2-N 3.01Å; Q182-C198 PolarHBondContact NE2-O 3.14Å; L195-C198 HydrophobicContact CD1-CB 3.82Å; C198-F214 WeakPolarHBondContact CA-O 3.41Å |
| 199 | F | 95.6 | Very high | 93 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 1% | 0.013 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 137.8 | -176.9 | 56.9 | -86.2 | 0 | 0 | 0 | 113.5 | T88 E91 F92 R197 V201 G213 F214 L255 | T88-F199 HydrophobicContact CG2-CB 4.35Å; T88-F199 HydrophobicContact CG2-CD2 3.75Å; T88-F199 HydrophobicContact CG2-CE2 4.49Å; T88-F199 HydrophobicContact CG2-CG 4.36Å; E91-F199 HydrophobicContact CB-CB 3.89Å; E91-F199 HydrophobicContact CB-CD1 3.82Å; E91-F199 HydrophobicContact CB-CG 4.15Å; E91-F199 HydrophobicContact CG-CB 4.49Å; F92-F199 HydrophobicContact CB-CE1 4.32Å; F92-F199 HydrophobicContact CB-CE2 4.45Å; F92-F199 HydrophobicContact CB-CZ 4.1Å; F92-F199 HydrophobicContact CD2-CE2 4.44Å; F92-F199 AromaticContact CD2-CZ 3.85Å; F92-F199 HydrophobicContact CD2-CZ 3.85Å; F92-F199 HydrophobicContact CG-CZ 4.49Å; R197-F199 HydrophobicContact CB-CE1 4.45Å; F199-V201 HydrophobicContact CD2-CG2 4.5Å; F199-V201 HydrophobicContact CE2-CG2 4.46Å; F199-G213 CarbonylContact O-C 3.59Å; F199-G213 WeakPolarHBondContact O-CA 3.46Å; F199-F214 HydrophobicContact CD1-CB 4.38Å; F199-F214 HydrophobicContact CD2-CB 4.27Å; F199-F214 HydrophobicContact CD2-CD2 4.3Å; F199-F214 HydrophobicContact CE1-CB 3.87Å; F199-F214 HydrophobicContact CE2-CB 3.77Å; F199-F214 AromaticContact CE2-CD2 3.5Å; F199-F214 HydrophobicContact CE2-CD2 3.5Å; F199-F214 HydrophobicContact CE2-CE2 4.43Å; F199-F214 AromaticContact CE2-CG 3.98Å; F199-F214 HydrophobicContact CE2-CG 3.98Å; F199-F214 HydrophobicContact CZ-CB 3.52Å; F199-F214 AromaticContact CZ-CD2 3.89Å; F199-F214 HydrophobicContact CZ-CD2 3.89Å; F199-F214 AromaticContact CZ-CG 3.92Å; F199-F214 HydrophobicContact CZ-CG 3.92Å; F199-F214 PolarHBondContact N-O 3.46Å; F199-F214 PolarHBondContact O-N 3.07Å; F199-L255 HydrophobicContact CE2-CD1 4.28Å; F199-L255 HydrophobicContact CE2-CD2 4.06Å; F199-L255 HydrophobicContact CZ-CD2 4.32Å |
| 200 | L | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 155.5 | 162.5 | -68.2 | 176.3 | 0 | 0 | 0 | 110.9 | T88 L176 F180 F185 Y202 | T88-L200 VanDerWaalsContact CG2-O 3.3Å; T88-L200 WeakPolarHBondContact CG2-O 3.2Å; T88-L200 PolarHBondContact OG1-O 2.99Å; L176-L200 HydrophobicContact CD1-CD2 3.64Å; F180-L200 VanDerWaalsContact O-CD1 3.26Å; F180-L200 WeakPolarHBondContact O-CD1 3.47Å; F185-L200 HydrophobicContact CB-CD1 4.2Å; F185-L200 HydrophobicContact CB-CD2 3.87Å; F185-L200 HydrophobicContact CB-CG 3.96Å; F185-L200 HydrophobicContact CD1-CD2 3.8Å; F185-L200 HydrophobicContact CD1-CG 3.97Å; F185-L200 HydrophobicContact CD2-CD2 3.87Å; F185-L200 HydrophobicContact CE1-CD2 4.32Å; F185-L200 HydrophobicContact CE2-CD2 4.39Å; F185-L200 HydrophobicContact CG-CD2 3.56Å; F185-L200 HydrophobicContact CG-CG 3.99Å; L200-Y202 HydrophobicContact CB-CE2 3.98Å |
| 201 | V | 95.1 | Very high | 92.8 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.018 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 123.6 | 172.6 | -179 | 0 | 0 | 0 | 0 | 109.8 | F199 K210 Y212 F214 L255 | F199-V201 HydrophobicContact CD2-CG2 4.5Å; F199-V201 HydrophobicContact CE2-CG2 4.46Å; V201-K210 HydrophobicContact CG1-CD 4.29Å; V201-K210 WeakPolarHBondContact O-CB 3.49Å; V201-K210 PolarHBondContact O-N 2.88Å; V201-Y212 HydrophobicContact CB-CD2 3.99Å; V201-Y212 HydrophobicContact CB-CE2 3.57Å; V201-Y212 HydrophobicContact CG1-CE2 3.85Å; V201-Y212 HydrophobicContact CG2-CD2 3.94Å; V201-Y212 HydrophobicContact CG2-CE2 3.65Å; V201-Y212 PolarHBondContact N-O 2.93Å; V201-F214 HydrophobicContact CG2-CD2 3.87Å; V201-F214 HydrophobicContact CG2-CE2 3.89Å; V201-L255 HydrophobicContact CG1-CB 4.48Å; V201-L255 HydrophobicContact CG2-CB 4.44Å |
| 202 | Y | 93.9 | Very high | 92.8 | Very high | 15 Ų | 15 | 22 Ų | 22 | 6% | 0.059 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 160.6 | -179.3 | -59.9 | -83 | 0 | 0 | 0 | 112.3 | R84 T88 L200 G207 H208 K210 H256 | R84-Y202 HydrophobicContact CB-CD1 4.49Å; R84-Y202 HydrophobicContact CB-CD2 4.1Å; R84-Y202 HydrophobicContact CB-CE2 4.19Å; R84-Y202 HydrophobicContact CB-CG 4.25Å; T88-Y202 VanDerWaalsContact OG1-CD2 3.28Å; T88-Y202 WeakPolarHBondContact OG1-CD2 3.5Å; T88-Y202 WeakPolarHBondContact OG1-CE2 3.32Å; L200-Y202 HydrophobicContact CB-CE2 3.98Å; Y202-G207 VanDerWaalsContact CD1-O 3.23Å; Y202-G207 WeakPolarHBondContact CD1-O 3.37Å; Y202-H208 CarbonylContact C-O 3.52Å; Y202-H208 VanDerWaalsContact CA-O 3.31Å; Y202-H208 WeakPolarHBondContact CA-O 3.45Å; Y202-K210 WeakPolarHBondContact O-CE 3.24Å; Y202-H256 PolarHBondContact O-CE1 3.38Å |
| 203 | S | 92.4 | Very high | 92.8 | Very high | 7 Ų | 7 | 21.1 Ų | 21.1 | 5% | 0.049 | 13% | 0.13 | C | C | . | . | P | Polyproline II helix | trans | -71.3 | 131.4 | 163.6 | 158.6 | 0 | 0 | 0 | 0 | 110 | S205 T206 G207 H208 E313 | S203-S205 VanDerWaalsContact C-N 3.26Å; S203-S205 PolarHBondContact O-N 3.13Å; S203-S205 PolarHBondContact OG-N 2.75Å; S203-S205 PolarHBondContact OG-OG 2.9Å; S203-S205 VanDerWaalsContact OG-OG 3.11Å; S203-T206 WeakPolarHBondContact CB-OG1 3.36Å; S203-T206 PolarHBondContact OG-N 3.47Å; S203-T206 PolarHBondContact OG-OG1 2.78Å; S203-G207 WeakPolarHBondContact O-CA 3.15Å; S203-G207 PolarHBondContact O-N 3.48Å; S203-H208 PolarHBondContact N-O 3.49Å; S203-E313 WeakPolarHBondContact CB-OE1 3.37Å; S203-E313 PolarHBondContact OG-OE1 3.29Å |
| 204 | A | 88.4 | Confident | 92.9 | Very high | 59 Ų | 59 | 20.4 Ų | 20.4 | 49% | 0.488 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -26.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 205 | S | 85.9 | Confident | 92.9 | Very high | 71 Ų | 71 | 14.9 Ų | 14.9 | 50% | 0.497 | 9% | 0.093 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -15.3 | -177.9 | 69.6 | 0 | 0 | 0 | 0 | 114.6 | S203 E313 | S203-S205 VanDerWaalsContact C-N 3.26Å; S203-S205 PolarHBondContact O-N 3.13Å; S203-S205 PolarHBondContact OG-N 2.75Å; S203-S205 PolarHBondContact OG-OG 2.9Å; S203-S205 VanDerWaalsContact OG-OG 3.11Å; S205-E313 PolarHBondContact OG-OE1 2.87Å |
| 206 | T | 86.7 | Confident | 93 | Very high | 22 Ų | 22 | 13.5 Ų | 13.5 | 14% | 0.135 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -140.8 | -11.4 | -174.3 | 62.8 | 0 | 0 | 0 | 0 | 115.7 | L76 S203 H208 | L76-T206 WeakPolarHBondContact CD1-O 3.47Å; S203-T206 WeakPolarHBondContact CB-OG1 3.36Å; S203-T206 PolarHBondContact OG-N 3.47Å; S203-T206 PolarHBondContact OG-OG1 2.78Å; T206-H208 VanDerWaalsContact CB-CD2 3.44Å; T206-H208 WeakPolarHBondContact CB-CD2 3.39Å; T206-H208 PolarHBondContact O-N 2.82Å; T206-H208 PolarHBondContact OG1-CD2 2.85Å |
| 207 | G | 87.4 | Confident | 93.1 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | trans | 62.7 | 7.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | L76 R84 Y202 S203 | L76-G207 WeakPolarHBondContact CD1-O 3.48Å; R84-G207 WeakPolarHBondContact CD-O 3.2Å; R84-G207 PolarHBondContact NH1-O 3.38Å; R84-G207 VanDerWaalsContact NH1-O 3.17Å; Y202-G207 VanDerWaalsContact CD1-O 3.23Å; Y202-G207 WeakPolarHBondContact CD1-O 3.37Å; S203-G207 WeakPolarHBondContact O-CA 3.15Å; S203-G207 PolarHBondContact O-N 3.48Å | ||
| 208 | H | 90.5 | Very high | 93.1 | Very high | 35 Ų | 35 | 16.4 Ų | 16.4 | 16% | 0.162 | 10% | 0.1 | C | C | . | . | trans | -77 | 149.4 | 172.3 | -59.1 | -44.8 | 0 | 0 | 0 | 111.3 | L73 I74 Y202 S203 T206 K210 | L73-H208 HydrophobicContact CD1-CB 4.18Å; I74-H208 PolarHBondContact O-CE1 3.48Å; Y202-H208 CarbonylContact C-O 3.52Å; Y202-H208 VanDerWaalsContact CA-O 3.31Å; Y202-H208 WeakPolarHBondContact CA-O 3.45Å; S203-H208 PolarHBondContact N-O 3.49Å; T206-H208 VanDerWaalsContact CB-CD2 3.44Å; T206-H208 WeakPolarHBondContact CB-CD2 3.39Å; T206-H208 PolarHBondContact O-N 2.82Å; T206-H208 PolarHBondContact OG1-CD2 2.85Å; H208-K210 PolarHBondContact O-N 3.3Å | ||
| 209 | S | 93.8 | Very high | 93 | Very high | 8 Ų | 8 | 22.7 Ų | 22.7 | 6% | 0.056 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 130.7 | 176.4 | 176.4 | 0 | 0 | 0 | 0 | 110.3 | G211 | S209-G211 PolarHBondContact O-N 2.87Å; S209-G211 VanDerWaalsContact O-N 3.17Å; S209-G211 PolarHBondContact OG-N 3.09Å |
| 210 | K | 93.4 | Very high | 92.9 | Very high | 7 Ų | 7 | 27.3 Ų | 27.3 | 3% | 0.03 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 5.4 | 172 | -62.2 | -168.2 | 177.8 | -174.3 | 0 | 112.8 | V201 Y202 H208 Y212 H256 E313 F333 | V201-K210 HydrophobicContact CG1-CD 4.29Å; V201-K210 WeakPolarHBondContact O-CB 3.49Å; V201-K210 PolarHBondContact O-N 2.88Å; Y202-K210 WeakPolarHBondContact O-CE 3.24Å; H208-K210 PolarHBondContact O-N 3.3Å; K210-Y212 VanDerWaalsContact C-N 3.33Å; K210-Y212 HydrophobicContact CB-CD1 3.89Å; K210-Y212 HydrophobicContact CB-CE1 3.37Å; K210-Y212 HydrophobicContact CD-CE1 4.21Å; K210-Y212 HydrophobicContact CG-CE1 4.4Å; K210-Y212 WeakPolarHBondContact O-CD1 3.26Å; K210-H256 PolarHBondContact NZ-ND1 3.5Å; K210-E313 WeakPolarHBondContact CE-OE2 3.27Å; K210-E313 IonicContact NZ-OE2 3.18Å; K210-E313 PolarHBondContact NZ-OE2 3.36Å; K210-F333 HydrophobicContact CB-CD2 3.69Å; K210-F333 HydrophobicContact CB-CE2 3.96Å; K210-F333 HydrophobicContact CB-CG 4.17Å; K210-F333 HydrophobicContact CD-CE1 4.33Å; K210-F333 HydrophobicContact CD-CE2 4.33Å; K210-F333 HydrophobicContact CD-CZ 4.21Å; K210-F333 HydrophobicContact CG-CD2 4.23Å; K210-F333 HydrophobicContact CG-CE2 4Å; K210-F333 HydrophobicContact CG-CZ 4.33Å; K210-F333 VanDerWaalsContact O-CD2 3.26Å; K210-F333 WeakPolarHBondContact O-CD2 3.49Å |
| 211 | G | 93.4 | Very high | 92.9 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 75.4 | 20 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A174 N175 L176 S209 | A174-G211 CarbonylContact C-O 3.5Å; N175-G211 PolarHBondContact N-O 3.37Å; L176-G211 WeakPolarHBondContact CB-O 3.5Å; L176-G211 PolarHBondContact N-O 3.3Å; S209-G211 PolarHBondContact O-N 2.87Å; S209-G211 VanDerWaalsContact O-N 3.17Å; S209-G211 PolarHBondContact OG-N 3.09Å |
| 212 | Y | 96.1 | Very high | 93 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 157.7 | 169.8 | 60.7 | -86.8 | 0 | 0 | 0 | 111.9 | I173 V201 K210 L255 S257 F333 P336 | I173-Y212 CarbonylContact O-C 3.51Å; I173-Y212 WeakPolarHBondContact O-CA 3.37Å; I173-Y212 VanDerWaalsContact O-CB 3.31Å; I173-Y212 WeakPolarHBondContact O-CB 3.17Å; V201-Y212 HydrophobicContact CB-CD2 3.99Å; V201-Y212 HydrophobicContact CB-CE2 3.57Å; V201-Y212 HydrophobicContact CG1-CE2 3.85Å; V201-Y212 HydrophobicContact CG2-CD2 3.94Å; V201-Y212 HydrophobicContact CG2-CE2 3.65Å; V201-Y212 PolarHBondContact N-O 2.93Å; K210-Y212 VanDerWaalsContact C-N 3.33Å; K210-Y212 HydrophobicContact CB-CD1 3.89Å; K210-Y212 HydrophobicContact CB-CE1 3.37Å; K210-Y212 HydrophobicContact CD-CE1 4.21Å; K210-Y212 HydrophobicContact CG-CE1 4.4Å; K210-Y212 WeakPolarHBondContact O-CD1 3.26Å; Y212-L255 VanDerWaalsContact CE2-O 3.28Å; Y212-L255 WeakPolarHBondContact CE2-O 3.44Å; Y212-L255 PolarHBondContact OH-O 3.15Å; Y212-L255 VanDerWaalsContact OH-O 3.07Å; Y212-S257 PolarHBondContact OH-N 3.08Å; Y212-F333 HydrophobicContact CD1-CB 3.76Å; Y212-F333 HydrophobicContact CE1-CB 3.41Å; Y212-F333 VanDerWaalsContact CE1-CB 3.41Å; Y212-F333 AromaticContact CE1-CG 3.99Å; Y212-F333 HydrophobicContact CE1-CG 3.99Å; Y212-P336 HydrophobicContact CD2-CG 4.47Å; Y212-P336 HydrophobicContact CE2-CG 3.99Å |
| 213 | G | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 171.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | C172 I173 F199 | C172-G213 WeakPolarHBondContact CA-O 3.24Å; I173-G213 PolarHBondContact N-O 3.08Å; I173-G213 PolarHBondContact O-N 2.87Å; F199-G213 CarbonylContact O-C 3.59Å; F199-G213 WeakPolarHBondContact O-CA 3.46Å |
| 214 | F | 96.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 139.9 | -179.1 | -75.2 | -81.8 | 0 | 0 | 0 | 110.7 | L170 L171 C172 C198 F199 V201 T245 L250 L255 P336 | L170-F214 HydrophobicContact CD1-CB 4.17Å; L170-F214 HydrophobicContact CD1-CD1 4.04Å; L170-F214 HydrophobicContact CD2-CD1 4.27Å; L170-F214 HydrophobicContact CG-CD1 4.33Å; L171-F214 WeakPolarHBondContact O-CA 3.4Å; C172-F214 HydrophobicContact CB-CD1 3.96Å; C172-F214 HydrophobicContact CB-CE1 3.71Å; C172-F214 HydrophobicContact CB-CZ 4.34Å; C198-F214 WeakPolarHBondContact CA-O 3.41Å; F199-F214 HydrophobicContact CD1-CB 4.38Å; F199-F214 HydrophobicContact CD2-CB 4.27Å; F199-F214 HydrophobicContact CD2-CD2 4.3Å; F199-F214 HydrophobicContact CE1-CB 3.87Å; F199-F214 HydrophobicContact CE2-CB 3.77Å; F199-F214 AromaticContact CE2-CD2 3.5Å; F199-F214 HydrophobicContact CE2-CD2 3.5Å; F199-F214 HydrophobicContact CE2-CE2 4.43Å; F199-F214 AromaticContact CE2-CG 3.98Å; F199-F214 HydrophobicContact CE2-CG 3.98Å; F199-F214 HydrophobicContact CZ-CB 3.52Å; F199-F214 AromaticContact CZ-CD2 3.89Å; F199-F214 HydrophobicContact CZ-CD2 3.89Å; F199-F214 AromaticContact CZ-CG 3.92Å; F199-F214 HydrophobicContact CZ-CG 3.92Å; F199-F214 PolarHBondContact N-O 3.46Å; F199-F214 PolarHBondContact O-N 3.07Å; V201-F214 HydrophobicContact CG2-CD2 3.87Å; V201-F214 HydrophobicContact CG2-CE2 3.89Å; F214-T245 HydrophobicContact CE1-CG2 4.1Å; F214-L250 HydrophobicContact CD1-CD1 4.3Å; F214-L250 HydrophobicContact CE1-CD1 3.74Å; F214-L250 HydrophobicContact CE1-CD2 4.35Å; F214-L250 HydrophobicContact CZ-CD1 4.14Å; F214-L250 HydrophobicContact CZ-CD2 4.06Å; F214-L255 HydrophobicContact CD2-CD2 3.99Å; F214-L255 HydrophobicContact CE2-CD2 3.5Å; F214-L255 VanDerWaalsContact CE2-CD2 3.5Å; F214-L255 HydrophobicContact CZ-CD2 4.01Å; F214-P336 HydrophobicContact CE2-CG 4.12Å; F214-P336 HydrophobicContact CZ-CG 3.62Å |
| 215 | V | 96.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 121.5 | 175.2 | 59.7 | 0 | 0 | 0 | 0 | 110.2 | L171 I173 V189 L195 Y217 | L171-V215 HydrophobicContact CB-CG1 3.99Å; L171-V215 HydrophobicContact CD1-CG1 4.42Å; L171-V215 PolarHBondContact N-O 3.29Å; L171-V215 PolarHBondContact O-N 2.94Å; I173-V215 HydrophobicContact CD1-CG1 3.6Å; I173-V215 HydrophobicContact CG1-CG1 4.34Å; V189-V215 HydrophobicContact CB-CG2 4.12Å; V189-V215 HydrophobicContact CG1-CG1 4.38Å; V189-V215 HydrophobicContact CG2-CB 4.33Å; V189-V215 HydrophobicContact CG2-CG2 3.74Å; L195-V215 HydrophobicContact CD2-CG2 3.64Å; V215-Y217 HydrophobicContact CB-CE2 4.37Å; V215-Y217 HydrophobicContact CG1-CE2 3.83Å; V215-Y217 HydrophobicContact CG2-CD2 4.21Å; V215-Y217 HydrophobicContact CG2-CE1 4.44Å; V215-Y217 HydrophobicContact CG2-CE2 3.67Å |
| 216 | E | 95.5 | Very high | 94.1 | Very high | 11 Ų | 11 | 35.1 Ų | 35.1 | 5% | 0.051 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 126.4 | 173.2 | -170 | 170.4 | 174.6 | 0 | 0 | 109.7 | T167 L170 L195 E196 R197 | T167-E216 WeakPolarHBondContact CB-OE1 3.44Å; T167-E216 WeakPolarHBondContact CG2-OE1 3.45Å; T167-E216 PolarHBondContact OG1-OE1 3.48Å; L170-E216 HydrophobicContact CB-CB 4.47Å; L170-E216 HydrophobicContact CB-CG 4.38Å; L170-E216 HydrophobicContact CD1-CB 3.95Å; L195-E216 CarbonylContact C-O 3.59Å; L195-E216 WeakPolarHBondContact CA-O 3.38Å; E196-E216 HydrophobicContact CB-CB 4.47Å; E196-E216 HydrophobicContact CB-CG 4.39Å; E196-E216 PolarHBondContact N-O 3.37Å; R197-E216 HydrophobicContact CB-CB 4.31Å; R197-E216 IonicContact CZ-OE2 3.32Å; R197-E216 IonicContact NE-OE2 2.69Å; R197-E216 PolarHBondContact NE-OE2 2.87Å; R197-E216 IonicContact NH2-OE2 2.73Å; R197-E216 PolarHBondContact NH2-OE2 2.99Å; R197-E216 PolarHBondContact O-N 3.28Å |
| 217 | Y | 95.7 | Very high | 94.6 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 153.3 | 179 | -66.8 | -93.1 | 0 | 0 | 0 | 111.9 | A169 L171 V189 F192 N194 L195 V215 K219 A223 A226 | A169-Y217 WeakPolarHBondContact CB-O 3.42Å; A169-Y217 PolarHBondContact O-N 3.08Å; A169-Y217 VanDerWaalsContact O-N 3.1Å; L171-Y217 HydrophobicContact CD1-CE2 4.12Å; V189-Y217 WeakPolarHBondContact CB-OH 3.36Å; V189-Y217 PolarHBondContact O-OH 3.45Å; V189-Y217 VanDerWaalsContact O-OH 3.13Å; F192-Y217 HydrophobicContact CB-CE1 3.85Å; N194-Y217 WeakPolarHBondContact O-CA 3.29Å; L195-Y217 HydrophobicContact CD2-CD1 3.67Å; L195-Y217 HydrophobicContact CD2-CE1 3.43Å; L195-Y217 VanDerWaalsContact CD2-CE1 3.43Å; L195-Y217 HydrophobicContact CD2-CG 4.46Å; V215-Y217 HydrophobicContact CB-CE2 4.37Å; V215-Y217 HydrophobicContact CG1-CE2 3.83Å; V215-Y217 HydrophobicContact CG2-CD2 4.21Å; V215-Y217 HydrophobicContact CG2-CE1 4.44Å; V215-Y217 HydrophobicContact CG2-CE2 3.67Å; Y217-K219 PolarHBondContact O-N 3.09Å; Y217-K219 VanDerWaalsContact O-N 3.07Å; Y217-A223 HydrophobicContact CD2-CB 3.61Å; Y217-A223 HydrophobicContact CE2-CB 4.27Å; Y217-A223 HydrophobicContact CG-CB 4.29Å; Y217-A226 HydrophobicContact CE2-CB 3.77Å; Y217-A226 WeakPolarHBondContact OH-CB 3.2Å |
| 218 | M | 91.9 | Very high | 94.8 | Very high | 92 Ų | 92 | 40.7 Ų | 40.7 | 45% | 0.453 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -58.5 | -22.5 | 172.5 | -59.8 | -162.8 | 81.2 | 0 | 0 | 113.5 | N194 E196 | N194-M218 HydrophobicContact CB-CB 4.35Å; N194-M218 HydrophobicContact CB-CG 3.52Å; N194-M218 HydrophobicContact CB-SD 3.41Å; N194-M218 WeakPolarHBondContact CB-SD 3.14Å; N194-M218 PolarHBondContact O-N 2.88Å; E196-M218 HydrophobicContact CG-CB 4.46Å; E196-M218 HydrophobicContact CG-CG 4.04Å; E196-M218 VanDerWaalsContact OE1-CE 3.26Å; E196-M218 WeakPolarHBondContact OE1-CE 3.34Å; E196-M218 VanDerWaalsContact OE1-CG 3.28Å; E196-M218 WeakPolarHBondContact OE1-CG 3.31Å |
| 219 | K | 92.8 | Very high | 94.9 | Very high | 137 Ų | 137 | 43.5 Ų | 43.5 | 60% | 0.596 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -139.9 | 137.4 | -175 | -62.9 | -177 | -179.2 | -179.3 | 0 | 111.3 | Y217 D221 S222 A223 | Y217-K219 PolarHBondContact O-N 3.09Å; Y217-K219 VanDerWaalsContact O-N 3.07Å; K219-D221 VanDerWaalsContact C-N 3.25Å; K219-D221 PolarHBondContact O-N 3.39Å; K219-S222 WeakPolarHBondContact O-CB 3.3Å; K219-S222 PolarHBondContact O-N 3.33Å; K219-S222 VanDerWaalsContact O-N 3.07Å; K219-A223 PolarHBondContact O-N 3.33Å |
| 220 | K | 94.3 | Very high | 94.9 | Very high | 101 Ų | 101 | 43.1 Ų | 43.1 | 44% | 0.439 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -54.1 | -39.1 | 174.9 | -169.7 | -179.2 | -162.9 | 163.9 | 0 | 113.1 | D168 S222 A223 A224 | D168-K220 VanDerWaalsContact OD2-CD 3.31Å; D168-K220 WeakPolarHBondContact OD2-CD 3.18Å; D168-K220 WeakPolarHBondContact OD2-CE 3.31Å; D168-K220 IonicContact OD2-NZ 3.72Å; D168-K220 PolarHBondContact OD2-NZ 3.26Å; K220-S222 VanDerWaalsContact C-N 3.26Å; K220-S222 PolarHBondContact O-N 2.9Å; K220-A223 CarbonylContact O-C 3.56Å; K220-A223 WeakPolarHBondContact O-CB 3.26Å; K220-A223 PolarHBondContact O-N 3.16Å; K220-A223 VanDerWaalsContact O-N 3.16Å; K220-A224 WeakPolarHBondContact O-CB 3.4Å; K220-A224 PolarHBondContact O-N 3.2Å |
| 221 | D | 95.9 | Very high | 94.9 | Very high | 116 Ų | 116 | 44.3 Ų | 44.3 | 62% | 0.62 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -64.2 | -31.9 | -179.2 | -48.6 | -52.1 | 0 | 0 | 0 | 112.4 | K219 A224 R225 | K219-D221 VanDerWaalsContact C-N 3.25Å; K219-D221 PolarHBondContact O-N 3.39Å; D221-A224 PolarHBondContact O-N 2.98Å; D221-R225 WeakPolarHBondContact O-CG 3.25Å; D221-R225 PolarHBondContact O-N 3.38Å |
| 222 | S | 96.4 | Very high | 94.7 | Very high | 13 Ų | 13 | 44.8 Ų | 44.8 | 9% | 0.091 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68 | -44.6 | 174.3 | -59.9 | 0 | 0 | 0 | 0 | 110.9 | F192 K219 K220 A224 R225 A226 | F192-S222 VanDerWaalsContact O-CB 3.23Å; F192-S222 WeakPolarHBondContact O-CB 3.06Å; F192-S222 PolarHBondContact O-OG 3.05Å; K219-S222 WeakPolarHBondContact O-CB 3.3Å; K219-S222 PolarHBondContact O-N 3.33Å; K219-S222 VanDerWaalsContact O-N 3.07Å; K220-S222 VanDerWaalsContact C-N 3.26Å; K220-S222 PolarHBondContact O-N 2.9Å; S222-A224 PolarHBondContact O-N 3.21Å; S222-R225 PolarHBondContact O-N 2.74Å; S222-A226 WeakPolarHBondContact O-CB 3.08Å; S222-A226 PolarHBondContact O-N 3.32Å |
| 223 | A | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.1 | -38.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A169 L171 Y217 K219 K220 A226 K227 W244 | A169-A223 HydrophobicContact CB-CB 4.24Å; A169-A223 WeakPolarHBondContact O-CB 3.28Å; L171-A223 HydrophobicContact CD1-CB 4.36Å; L171-A223 WeakPolarHBondContact CD1-O 3.4Å; L171-A223 HydrophobicContact CG-CB 4.28Å; Y217-A223 HydrophobicContact CD2-CB 3.61Å; Y217-A223 HydrophobicContact CE2-CB 4.27Å; Y217-A223 HydrophobicContact CG-CB 4.29Å; K219-A223 PolarHBondContact O-N 3.33Å; K220-A223 CarbonylContact O-C 3.56Å; K220-A223 WeakPolarHBondContact O-CB 3.26Å; K220-A223 PolarHBondContact O-N 3.16Å; K220-A223 VanDerWaalsContact O-N 3.16Å; A223-A226 PolarHBondContact O-N 3.01Å; A223-K227 WeakPolarHBondContact O-CB 3.46Å; A223-K227 PolarHBondContact O-N 3.07Å; A223-W244 HydrophobicContact CB-CH2 3.76Å; A223-W244 HydrophobicContact CB-CZ3 3.55Å |
| 224 | A | 96.3 | Very high | 94.1 | Very high | 43 Ų | 43 | 55 Ų | 55 | 36% | 0.355 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K220 D221 S222 S228 W244 | K220-A224 WeakPolarHBondContact O-CB 3.4Å; K220-A224 PolarHBondContact O-N 3.2Å; D221-A224 PolarHBondContact O-N 2.98Å; S222-A224 PolarHBondContact O-N 3.21Å; A224-S228 WeakPolarHBondContact O-CB 3.31Å; A224-S228 PolarHBondContact O-N 3.13Å; A224-W244 HydrophobicContact CB-CH2 4.24Å; A224-W244 HydrophobicContact CB-CZ2 4.32Å |
| 225 | R | 95.8 | Very high | 93.8 | Very high | 147 Ų | 147 | 57.1 Ų | 57.1 | 56% | 0.555 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -62.9 | -49.4 | 172.6 | -69.1 | -172.6 | -53.4 | 170.5 | 6.9 | 111.7 | F192 D221 S222 K227 S228 E229 | F192-R225 PolarHBondContact O-NH2 3.44Å; D221-R225 WeakPolarHBondContact O-CG 3.25Å; D221-R225 PolarHBondContact O-N 3.38Å; S222-R225 PolarHBondContact O-N 2.74Å; R225-K227 VanDerWaalsContact C-N 3.34Å; R225-K227 PolarHBondContact O-N 3.05Å; R225-S228 PolarHBondContact O-N 3.4Å; R225-E229 PolarHBondContact O-N 3.27Å |
| 226 | A | 96.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -54.8 | -48.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L171 F192 Y217 S222 A223 S228 E229 L230 | L171-A226 HydrophobicContact CD1-CB 3.92Å; F192-A226 HydrophobicContact CB-CB 3.69Å; F192-A226 HydrophobicContact CD1-CB 4.37Å; F192-A226 HydrophobicContact CD2-CB 3.63Å; F192-A226 HydrophobicContact CE2-CB 4.45Å; F192-A226 HydrophobicContact CG-CB 3.61Å; Y217-A226 HydrophobicContact CE2-CB 3.77Å; Y217-A226 WeakPolarHBondContact OH-CB 3.2Å; S222-A226 WeakPolarHBondContact O-CB 3.08Å; S222-A226 PolarHBondContact O-N 3.32Å; A223-A226 PolarHBondContact O-N 3.01Å; A226-S228 VanDerWaalsContact C-N 3.35Å; A226-S228 PolarHBondContact O-N 3.38Å; A226-E229 PolarHBondContact O-N 3.47Å; A226-L230 HydrophobicContact CB-CD1 4.47Å; A226-L230 WeakPolarHBondContact O-CB 3.48Å; A226-L230 VanDerWaalsContact O-CG 3.29Å; A226-L230 WeakPolarHBondContact O-CG 3.23Å; A226-L230 PolarHBondContact O-N 2.91Å |
| 227 | K | 95.3 | Very high | 92.7 | Very high | 49 Ų | 49 | 63.2 Ų | 63.2 | 21% | 0.213 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 175.3 | -176 | 178.5 | -178.9 | -177.1 | 0 | 112 | L171 A223 R225 E229 L231 V242 W244 | L171-K227 HydrophobicContact CD1-CB 4.1Å; L171-K227 HydrophobicContact CD2-CB 4.03Å; L171-K227 HydrophobicContact CD2-CD 4.29Å; L171-K227 HydrophobicContact CD2-CG 4.49Å; A223-K227 WeakPolarHBondContact O-CB 3.46Å; A223-K227 PolarHBondContact O-N 3.07Å; R225-K227 VanDerWaalsContact C-N 3.34Å; R225-K227 PolarHBondContact O-N 3.05Å; K227-E229 VanDerWaalsContact C-N 3.29Å; K227-E229 PolarHBondContact O-N 3.46Å; K227-L231 WeakPolarHBondContact O-CB 3.39Å; K227-L231 PolarHBondContact O-N 3.32Å; K227-L231 VanDerWaalsContact O-N 3.13Å; K227-V242 HydrophobicContact CB-CG1 4.14Å; K227-V242 VanDerWaalsContact CE-O 3.31Å; K227-V242 WeakPolarHBondContact CE-O 3.48Å; K227-V242 HydrophobicContact CG-CB 4.28Å; K227-V242 HydrophobicContact CG-CG1 3.94Å; K227-W244 HydrophobicContact CD-CD2 4.27Å; K227-W244 HydrophobicContact CD-CG 4.34Å; K227-W244 HydrophobicContact CD-CZ2 4.3Å |
| 228 | S | 92.5 | Very high | 92.4 | Very high | 89 Ų | 89 | 63.5 Ų | 63.5 | 62% | 0.622 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -64.6 | -31.9 | -176.8 | -166 | 0 | 0 | 0 | 0 | 113.4 | A224 R225 A226 R357 | A224-S228 WeakPolarHBondContact O-CB 3.31Å; A224-S228 PolarHBondContact O-N 3.13Å; R225-S228 PolarHBondContact O-N 3.4Å; A226-S228 VanDerWaalsContact C-N 3.35Å; A226-S228 PolarHBondContact O-N 3.38Å; S228-R357 PolarHBondContact O-NH2 3.04Å |
| 229 | E | 92.2 | Very high | 92.3 | Very high | 94 Ų | 94 | 63.1 Ų | 63.1 | 44% | 0.439 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -90.5 | -49.3 | 176.1 | -163.6 | -169.6 | 114.8 | 0 | 0 | 112.7 | F192 R225 A226 K227 K233 | F192-E229 HydrophobicContact CE1-CB 3.99Å; F192-E229 HydrophobicContact CE1-CG 4.43Å; F192-E229 WeakPolarHBondContact CE1-OE2 3.47Å; F192-E229 HydrophobicContact CZ-CB 4.18Å; F192-E229 HydrophobicContact CZ-CG 4.47Å; R225-E229 PolarHBondContact O-N 3.27Å; A226-E229 PolarHBondContact O-N 3.47Å; K227-E229 VanDerWaalsContact C-N 3.29Å; K227-E229 PolarHBondContact O-N 3.46Å; E229-K233 IonicContact OE1-NZ 2.7Å; E229-K233 PolarHBondContact OE1-NZ 3.4Å |
| 230 | L | 93.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -73.3 | -32.2 | -171.7 | -65 | 178.9 | 0 | 0 | 0 | 114 | I173 L188 V189 F192 A226 G232 K233 L240 V242 | I173-L230 HydrophobicContact CD1-CD1 3.72Å; L188-L230 HydrophobicContact CD1-CD2 3.87Å; L188-L230 HydrophobicContact CG-CD2 4.13Å; V189-L230 HydrophobicContact CG1-CD1 4.05Å; F192-L230 HydrophobicContact CD2-CD1 4.18Å; F192-L230 HydrophobicContact CD2-CG 4.47Å; F192-L230 HydrophobicContact CE2-CD1 3.68Å; F192-L230 HydrophobicContact CE2-CD2 3.76Å; F192-L230 HydrophobicContact CE2-CG 3.62Å; F192-L230 HydrophobicContact CZ-CD2 3.97Å; F192-L230 HydrophobicContact CZ-CG 3.97Å; A226-L230 HydrophobicContact CB-CD1 4.47Å; A226-L230 WeakPolarHBondContact O-CB 3.48Å; A226-L230 VanDerWaalsContact O-CG 3.29Å; A226-L230 WeakPolarHBondContact O-CG 3.23Å; A226-L230 PolarHBondContact O-N 2.91Å; L230-G232 PolarHBondContact O-N 2.72Å; L230-K233 HydrophobicContact CD2-CD 3.73Å; L230-K233 VanDerWaalsContact O-CB 3.3Å; L230-K233 WeakPolarHBondContact O-CB 3.41Å; L230-K233 PolarHBondContact O-N 2.8Å; L230-K233 VanDerWaalsContact O-N 3.09Å; L230-L240 WeakPolarHBondContact O-CB 3.43Å; L230-V242 HydrophobicContact CB-CG2 3.85Å |
| 231 | L | 93.6 | Very high | 92.4 | Very high | 33 Ų | 33 | 52.8 Ų | 52.8 | 17% | 0.173 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 130.9 | 170.8 | 178.9 | 64.9 | 0 | 0 | 0 | 108.4 | K227 K233 Y241 V242 A350 R357 | K227-L231 WeakPolarHBondContact O-CB 3.39Å; K227-L231 PolarHBondContact O-N 3.32Å; K227-L231 VanDerWaalsContact O-N 3.13Å; L231-K233 PolarHBondContact O-N 2.97Å; L231-K233 VanDerWaalsContact O-N 3.12Å; L231-Y241 HydrophobicContact CD1-CD2 3.89Å; L231-Y241 HydrophobicContact CD1-CE2 4.36Å; L231-V242 HydrophobicContact CB-CB 4.15Å; L231-V242 HydrophobicContact CB-CG2 4.37Å; L231-V242 HydrophobicContact CD1-CB 4.39Å; L231-A350 HydrophobicContact CD1-CB 3.97Å; L231-R357 PolarHBondContact O-NH1 3.17Å; L231-R357 PolarHBondContact O-NH2 2.98Å |
| 232 | G | 89.3 | Confident | 92.4 | Very high | 12 Ų | 12 | 47.4 Ų | 47.4 | 12% | 0.124 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 20.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L230 M239 L240 R357 | L230-G232 PolarHBondContact O-N 2.72Å; G232-M239 WeakPolarHBondContact O-CE 3.28Å; G232-L240 WeakPolarHBondContact CA-O 3.26Å; G232-L240 PolarHBondContact N-O 3.25Å; G232-R357 PolarHBondContact O-NH1 2.88Å |
| 233 | K | 90.6 | Very high | 92.3 | Very high | 72 Ų | 72 | 49.1 Ų | 49.1 | 31% | 0.313 | 27% | 0.269 | S | S | . | . | trans | -78.1 | 134.7 | 168.9 | -169.8 | 168.5 | -173.7 | 167.1 | 0 | 108.6 | E229 L230 L231 L240 | E229-K233 IonicContact OE1-NZ 2.7Å; E229-K233 PolarHBondContact OE1-NZ 3.4Å; L230-K233 HydrophobicContact CD2-CD 3.73Å; L230-K233 VanDerWaalsContact O-CB 3.3Å; L230-K233 WeakPolarHBondContact O-CB 3.41Å; L230-K233 PolarHBondContact O-N 2.8Å; L230-K233 VanDerWaalsContact O-N 3.09Å; L231-K233 PolarHBondContact O-N 2.97Å; L231-K233 VanDerWaalsContact O-N 3.12Å; K233-L240 HydrophobicContact CB-CD1 4.44Å; K233-L240 PolarHBondContact O-N 3.24Å | ||
| 234 | Q | 89.9 | Confident | 92.2 | Very high | 143 Ų | 143 | 53.4 Ų | 53.4 | 67% | 0.668 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 131.6 | 175.7 | -166.9 | 167.3 | -4.2 | 0 | 0 | 110.1 | G236 M239 | Q234-G236 WeakPolarHBondContact CG-O 3.46Å; Q234-G236 PolarHBondContact NE2-O 2.82Å; Q234-G236 VanDerWaalsContact NE2-O 3.15Å; Q234-M239 HydrophobicContact CB-SD 3.54Å; Q234-M239 VanDerWaalsContact CB-SD 3.54Å; Q234-M239 HydrophobicContact CG-SD 3.79Å |
| 235 | L | 88.8 | Confident | 92 | Very high | 44 Ų | 44 | 52.1 Ų | 52.1 | 23% | 0.23 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 91.6 | 176.5 | -168.5 | 65.7 | 0 | 0 | 0 | 108 | L176 P177 F180 L188 S237 R238 L240 | L176-L235 HydrophobicContact CD2-CD2 4.11Å; P177-L235 HydrophobicContact CG-CD2 4.31Å; P177-L235 HydrophobicContact CG-CG 4.44Å; F180-L235 HydrophobicContact CD2-CD2 4.45Å; F180-L235 HydrophobicContact CE1-CD2 4.36Å; F180-L235 HydrophobicContact CE2-CD2 4.04Å; F180-L235 HydrophobicContact CZ-CD2 3.99Å; L188-L235 HydrophobicContact CD2-CD2 4.4Å; L235-S237 PolarHBondContact O-N 3.4Å; L235-R238 PolarHBondContact N-O 2.87Å; L235-R238 PolarHBondContact O-N 2.8Å; L235-L240 HydrophobicContact CB-CD1 4.48Å; L235-L240 HydrophobicContact CB-CD2 4.08Å; L235-L240 HydrophobicContact CB-CG 4.21Å; L235-L240 HydrophobicContact CD2-CD1 4.34Å; L235-L240 HydrophobicContact CD2-CD2 4.03Å |
| 236 | G | 85.3 | Confident | 91.6 | Very high | 61 Ų | 61 | 52 Ų | 52 | 63% | 0.629 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | -125.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q234 R238 | Q234-G236 WeakPolarHBondContact CG-O 3.46Å; Q234-G236 PolarHBondContact NE2-O 2.82Å; Q234-G236 VanDerWaalsContact NE2-O 3.15Å; G236-R238 VanDerWaalsContact C-N 3.25Å; G236-R238 PolarHBondContact O-N 3.16Å |
| 237 | S | 84.4 | Confident | 91 | Very high | 79 Ų | 79 | 52.4 Ų | 52.4 | 55% | 0.552 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | 10.4 | 179.7 | 70.3 | 0 | 0 | 0 | 0 | 114.3 | L235 R330 | L235-S237 PolarHBondContact O-N 3.4Å; S237-R330 PolarHBondContact O-NH2 2.87Å; S237-R330 PolarHBondContact OG-NH1 2.9Å |
| 238 | R | 88.3 | Confident | 90.2 | Very high | 8 Ų | 8 | 53.9 Ų | 53.9 | 3% | 0.03 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 151.8 | -174 | -56.7 | -176.2 | -171.9 | -148.8 | -5.9 | 111.4 | D70 N175 L176 L235 G236 | D70-R238 IonicContact OD1-CZ 2.78Å; D70-R238 IonicContact OD1-NE 2.67Å; D70-R238 IonicContact OD1-NH2 3.64Å; D70-R238 PolarHBondContact OD1-NH2 3.04Å; D70-R238 IonicContact OD2-NH2 2.79Å; N175-R238 WeakPolarHBondContact O-CB 3.44Å; L176-R238 PolarHBondContact O-NH1 2.78Å; L235-R238 PolarHBondContact N-O 2.87Å; L235-R238 PolarHBondContact O-N 2.8Å; G236-R238 VanDerWaalsContact C-N 3.25Å; G236-R238 PolarHBondContact O-N 3.16Å |
| 239 | M | 90.8 | Very high | 89.5 | Confident | 84 Ų | 84 | 52.6 Ų | 52.6 | 41% | 0.414 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 116.6 | 177.3 | -70.8 | -68.8 | -76.7 | 0 | 0 | 108.3 | N175 G232 Q234 A354 | N175-M239 PolarHBondContact ND2-N 2.66Å; N175-M239 PolarHBondContact ND2-O 2.75Å; G232-M239 WeakPolarHBondContact O-CE 3.28Å; Q234-M239 HydrophobicContact CB-SD 3.54Å; Q234-M239 VanDerWaalsContact CB-SD 3.54Å; Q234-M239 HydrophobicContact CG-SD 3.79Å; M239-A354 HydrophobicContact CE-CB 4.25Å |
| 240 | L | 94.3 | Very high | 89.1 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | trans | -66.5 | 138.2 | -173.1 | -58.2 | -173.3 | 0 | 0 | 0 | 111.5 | I173 L176 L188 L230 G232 K233 L235 | I173-L240 HydrophobicContact CG2-CD1 4.5Å; L176-L240 HydrophobicContact CD2-CD1 4.39Å; L176-L240 HydrophobicContact CD2-CD2 3.67Å; L176-L240 HydrophobicContact CG-CD2 4.28Å; L188-L240 HydrophobicContact CD2-CD1 4.03Å; L230-L240 WeakPolarHBondContact O-CB 3.43Å; G232-L240 WeakPolarHBondContact CA-O 3.26Å; G232-L240 PolarHBondContact N-O 3.25Å; K233-L240 HydrophobicContact CB-CD1 4.44Å; K233-L240 PolarHBondContact O-N 3.24Å; L235-L240 HydrophobicContact CB-CD1 4.48Å; L235-L240 HydrophobicContact CB-CD2 4.08Å; L235-L240 HydrophobicContact CB-CG 4.21Å; L235-L240 HydrophobicContact CD2-CD1 4.34Å; L235-L240 HydrophobicContact CD2-CD2 4.03Å | ||
| 241 | Y | 94.2 | Very high | 88.8 | Confident | 18 Ų | 18 | 52.3 Ų | 52.3 | 7% | 0.071 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 135.9 | 171.5 | 174.9 | -111.9 | 0 | 0 | 0 | 109.4 | I173 A174 L231 H243 A335 M343 A346 L347 A350 | I173-Y241 CarbonylContact C-O 3.43Å; I173-Y241 WeakPolarHBondContact CA-O 3.33Å; A174-Y241 HydrophobicContact CB-CD1 4.44Å; A174-Y241 PolarHBondContact N-O 3.35Å; A174-Y241 PolarHBondContact O-N 2.86Å; L231-Y241 HydrophobicContact CD1-CD2 3.89Å; L231-Y241 HydrophobicContact CD1-CE2 4.36Å; Y241-H243 HydrophobicContact CE1-CB 3.96Å; Y241-H243 PolarHBondContact OH-ND1 2.95Å; Y241-A335 HydrophobicContact CD1-CB 4.25Å; Y241-A335 HydrophobicContact CE1-CB 4.1Å; Y241-M343 HydrophobicContact CE1-CE 4.4Å; Y241-M343 HydrophobicContact CE1-SD 3.81Å; Y241-A346 WeakPolarHBondContact OH-CB 3.43Å; Y241-L347 HydrophobicContact CD1-CD2 4.09Å; Y241-L347 HydrophobicContact CD2-CD2 3.72Å; Y241-L347 HydrophobicContact CE1-CD2 4.47Å; Y241-L347 HydrophobicContact CE2-CD2 4.16Å; Y241-L347 HydrophobicContact CG-CD2 3.69Å; Y241-A350 HydrophobicContact CD2-CB 3.83Å; Y241-A350 HydrophobicContact CE2-CB 3.99Å |
| 242 | V | 95.5 | Very high | 88.5 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 120 | -176.7 | -172.4 | 0 | 0 | 0 | 0 | 111.3 | L171 C172 I173 K227 L230 L231 | L171-V242 HydrophobicContact CB-CG1 4.13Å; L171-V242 HydrophobicContact CD1-CG1 3.95Å; L171-V242 HydrophobicContact CD2-CG1 4.21Å; L171-V242 HydrophobicContact CG-CG1 4.34Å; C172-V242 WeakPolarHBondContact O-CA 3.17Å; I173-V242 HydrophobicContact CB-CG2 4.43Å; I173-V242 HydrophobicContact CG1-CG1 4.04Å; I173-V242 HydrophobicContact CG1-CG2 3.98Å; I173-V242 HydrophobicContact CG2-CG2 4.26Å; K227-V242 HydrophobicContact CB-CG1 4.14Å; K227-V242 VanDerWaalsContact CE-O 3.31Å; K227-V242 WeakPolarHBondContact CE-O 3.48Å; K227-V242 HydrophobicContact CG-CB 4.28Å; K227-V242 HydrophobicContact CG-CG1 3.94Å; L230-V242 HydrophobicContact CB-CG2 3.85Å; L231-V242 HydrophobicContact CB-CB 4.15Å; L231-V242 HydrophobicContact CB-CG2 4.37Å; L231-V242 HydrophobicContact CD1-CB 4.39Å |
| 243 | H | 93.7 | Very high | 88.5 | Confident | 49 Ų | 49 | 57.2 Ų | 57.2 | 23% | 0.227 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 147.5 | -175.8 | -164.8 | 63.8 | 0 | 0 | 0 | 110.3 | L171 C172 Y241 A335 P338 | L171-H243 VanDerWaalsContact CA-O 3.29Å; L171-H243 WeakPolarHBondContact CA-O 3.31Å; C172-H243 PolarHBondContact N-O 2.89Å; C172-H243 PolarHBondContact O-N 3.19Å; Y241-H243 HydrophobicContact CE1-CB 3.96Å; Y241-H243 PolarHBondContact OH-ND1 2.95Å; H243-A335 HydrophobicContact CB-CB 4.43Å; H243-P338 VanDerWaalsContact NE2-CG 3.31Å; H243-P338 WeakPolarHBondContact NE2-CG 3.44Å |
| 244 | W | 94.4 | Very high | 88.4 | Confident | 91 Ų | 91 | 58.5 Ų | 58.5 | 35% | 0.345 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 138 | 166 | -71.5 | 121.4 | 0 | 0 | 0 | 107.6 | D168 L171 A223 A224 K227 | D168-W244 VanDerWaalsContact O-CZ3 3.3Å; D168-W244 WeakPolarHBondContact O-CZ3 3.3Å; L171-W244 HydrophobicContact CD2-CD2 3.76Å; L171-W244 HydrophobicContact CD2-CE3 3.35Å; L171-W244 HydrophobicContact CD2-CG 4.45Å; L171-W244 HydrophobicContact CD2-CH2 4.27Å; L171-W244 HydrophobicContact CD2-CZ3 3.65Å; L171-W244 HydrophobicContact CG-CE3 4.44Å; L171-W244 HydrophobicContact CG-CZ3 4.47Å; A223-W244 HydrophobicContact CB-CH2 3.76Å; A223-W244 HydrophobicContact CB-CZ3 3.55Å; A224-W244 HydrophobicContact CB-CH2 4.24Å; A224-W244 HydrophobicContact CB-CZ2 4.32Å; K227-W244 HydrophobicContact CD-CD2 4.27Å; K227-W244 HydrophobicContact CD-CG 4.34Å; K227-W244 HydrophobicContact CD-CZ2 4.3Å |
| 245 | T | 92.2 | Very high | 88.5 | Confident | 16 Ų | 16 | 51.8 Ų | 51.8 | 10% | 0.098 | 31% | 0.306 | C | S | . | . | trans | -129.8 | 135.2 | 177.3 | -43.8 | 0 | 0 | 0 | 0 | 111.1 | L170 F214 L250 | L170-T245 PolarHBondContact O-N 2.79Å; L170-T245 VanDerWaalsContact O-N 3.15Å; F214-T245 HydrophobicContact CE1-CG2 4.1Å; T245-L250 HydrophobicContact CG2-CD1 3.7Å; T245-L250 HydrophobicContact CG2-CD2 3.98Å; T245-L250 HydrophobicContact CG2-CG 3.88Å | ||
| 246 | E | 88.2 | Confident | 88.7 | Confident | 145 Ų | 145 | 51.5 Ų | 51.5 | 68% | 0.678 | 30% | 0.303 | S | S | * | . | trans | -80.5 | 119.6 | -178.1 | -67.1 | 178.6 | -179.7 | 0 | 0 | 110.8 | G248 S249 | E246-G248 PolarHBondContact O-N 2.87Å; E246-G248 VanDerWaalsContact O-N 3.14Å; E246-S249 PolarHBondContact O-N 3.29Å; E246-S249 PolarHBondContact O-OG 3.01Å | ||
| 247 | V | 84.1 | Confident | 89.1 | Confident | 7 Ų | 7 | 48.8 Ų | 48.8 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -9.6 | -176.2 | -149.6 | 0 | 0 | 0 | 0 | 113.1 | R95 T167 L170 R197 | R95-V247 VanDerWaalsContact CZ-CG1 3.46Å; R95-V247 PolarHBondContact NH1-O 3.24Å; T167-V247 WeakPolarHBondContact OG1-CG2 3.39Å; L170-V247 HydrophobicContact CB-CG2 3.66Å; L170-V247 HydrophobicContact CD2-CB 4.3Å; L170-V247 HydrophobicContact CD2-CG1 4.19Å; L170-V247 HydrophobicContact CD2-CG2 3.73Å; L170-V247 HydrophobicContact CG-CG2 4.31Å; R197-V247 VanDerWaalsContact NH2-CG1 3.31Å |
| 248 | G | 78.6 | Confident | 89.6 | Confident | 81 Ų | 81 | 49.8 Ų | 49.8 | 84% | 0.835 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -23.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | E246 | E246-G248 PolarHBondContact O-N 2.87Å; E246-G248 VanDerWaalsContact O-N 3.14Å |
| 249 | S | 76.8 | Confident | 89.9 | Confident | 61 Ų | 61 | 49.6 Ų | 49.6 | 43% | 0.427 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -106.1 | 5.6 | -176.4 | 56.7 | 0 | 0 | 0 | 0 | 113.9 | E246 Q254 | E246-S249 PolarHBondContact O-N 3.29Å; E246-S249 PolarHBondContact O-OG 3.01Å; S249-Q254 PolarHBondContact O-OE1 2.91Å; S249-Q254 VanDerWaalsContact O-OE1 3.07Å |
| 250 | L | 84.6 | Confident | 90.1 | Very high | 19 Ų | 19 | 45.7 Ų | 45.7 | 10% | 0.099 | 25% | 0.249 | C | C | . | . | trans | -96.3 | 106.9 | 173.1 | -73.8 | 174.9 | 0 | 0 | 0 | 111.5 | F92 L170 F214 T245 L255 | F92-L250 HydrophobicContact CE2-CB 4.35Å; F92-L250 WeakPolarHBondContact CZ-O 3.17Å; L170-L250 HydrophobicContact CD2-CD1 3.45Å; L170-L250 VanDerWaalsContact CD2-CD1 3.45Å; F214-L250 HydrophobicContact CD1-CD1 4.3Å; F214-L250 HydrophobicContact CE1-CD1 3.74Å; F214-L250 HydrophobicContact CE1-CD2 4.35Å; F214-L250 HydrophobicContact CZ-CD1 4.14Å; F214-L250 HydrophobicContact CZ-CD2 4.06Å; T245-L250 HydrophobicContact CG2-CD1 3.7Å; T245-L250 HydrophobicContact CG2-CD2 3.98Å; T245-L250 HydrophobicContact CG2-CG 3.88Å; L250-L255 HydrophobicContact CD2-CD2 4.48Å | ||
| 251 | T | 88.1 | Confident | 90 | Very high | 69 Ų | 69 | 46.4 Ų | 46.4 | 42% | 0.423 | 25% | 0.254 | S | S | . | . | trans | -93.3 | 164.4 | 157.1 | 64.9 | 0 | 0 | 0 | 0 | 110.8 | Q254 L255 | T251-Q254 WeakPolarHBondContact O-CB 3.44Å; T251-Q254 PolarHBondContact O-N 2.84Å; T251-Q254 VanDerWaalsContact OG1-CD 3.31Å; T251-Q254 WeakPolarHBondContact OG1-CG 3.23Å; T251-Q254 PolarHBondContact OG1-OE1 2.93Å; T251-L255 PolarHBondContact O-N 3.45Å | ||
| 252 | Y | 87.1 | Confident | 89.9 | Confident | 59 Ų | 59 | 45.5 Ų | 45.5 | 23% | 0.231 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -48.9 | 178.5 | -169.8 | -98.8 | 0 | 0 | 0 | 114.2 | R89 F92 Q254 L255 | R89-Y252 HydrophobicContact CB-CE2 4.03Å; R89-Y252 HydrophobicContact CG-CE2 4.13Å; F92-Y252 HydrophobicContact CD1-CD2 4.1Å; F92-Y252 HydrophobicContact CG-CD2 4.48Å; Y252-Q254 VanDerWaalsContact C-N 3.26Å; Y252-Q254 PolarHBondContact O-N 2.7Å; Y252-L255 HydrophobicContact CD2-CD1 3.72Å; Y252-L255 HydrophobicContact CE2-CD1 4.1Å; Y252-L255 HydrophobicContact CG-CD1 4.37Å; Y252-L255 WeakPolarHBondContact O-CB 3.31Å; Y252-L255 VanDerWaalsContact O-CG 3.29Å; Y252-L255 WeakPolarHBondContact O-CG 3.48Å; Y252-L255 PolarHBondContact O-N 2.89Å |
| 253 | P | 88.1 | Confident | 89.6 | Confident | 90 Ų | 90 | 47 Ų | 47 | 58% | 0.584 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -65.4 | -26.9 | 176.1 | 25.5 | -35.2 | 0 | 0 | 0 | 113.5 | L255 H256 | P253-L255 PolarHBondContact O-N 3.49Å; P253-H256 PolarHBondContact O-N 2.76Å |
| 254 | Q | 89.4 | Confident | 89.1 | Confident | 99 Ų | 99 | 47.9 Ų | 47.9 | 46% | 0.463 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -75.1 | -7.1 | 174.7 | -70.1 | 167.1 | -53.1 | 0 | 0 | 113.5 | S249 T251 Y252 H256 P336 | S249-Q254 PolarHBondContact O-OE1 2.91Å; S249-Q254 VanDerWaalsContact O-OE1 3.07Å; T251-Q254 WeakPolarHBondContact O-CB 3.44Å; T251-Q254 PolarHBondContact O-N 2.84Å; T251-Q254 VanDerWaalsContact OG1-CD 3.31Å; T251-Q254 WeakPolarHBondContact OG1-CG 3.23Å; T251-Q254 PolarHBondContact OG1-OE1 2.93Å; Y252-Q254 VanDerWaalsContact C-N 3.26Å; Y252-Q254 PolarHBondContact O-N 2.7Å; Q254-H256 PolarHBondContact O-N 2.89Å; Q254-P336 WeakPolarHBondContact O-CB 3.39Å |
| 255 | L | 91.6 | Very high | 88.6 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -64.2 | -25.3 | 165.7 | -61.5 | 174.8 | 0 | 0 | 0 | 111.5 | F92 F199 V201 Y212 F214 L250 T251 Y252 P253 | F92-L255 HydrophobicContact CB-CD1 4.47Å; F92-L255 HydrophobicContact CD2-CD1 3.76Å; F92-L255 HydrophobicContact CD2-CD2 3.85Å; F92-L255 HydrophobicContact CD2-CG 4.22Å; F92-L255 HydrophobicContact CE2-CD1 4.15Å; F92-L255 HydrophobicContact CE2-CD2 3.83Å; F92-L255 HydrophobicContact CE2-CG 4.19Å; F92-L255 HydrophobicContact CG-CD1 4.07Å; F199-L255 HydrophobicContact CE2-CD1 4.28Å; F199-L255 HydrophobicContact CE2-CD2 4.06Å; F199-L255 HydrophobicContact CZ-CD2 4.32Å; V201-L255 HydrophobicContact CG1-CB 4.48Å; V201-L255 HydrophobicContact CG2-CB 4.44Å; Y212-L255 VanDerWaalsContact CE2-O 3.28Å; Y212-L255 WeakPolarHBondContact CE2-O 3.44Å; Y212-L255 PolarHBondContact OH-O 3.15Å; Y212-L255 VanDerWaalsContact OH-O 3.07Å; F214-L255 HydrophobicContact CD2-CD2 3.99Å; F214-L255 HydrophobicContact CE2-CD2 3.5Å; F214-L255 VanDerWaalsContact CE2-CD2 3.5Å; F214-L255 HydrophobicContact CZ-CD2 4.01Å; L250-L255 HydrophobicContact CD2-CD2 4.48Å; T251-L255 PolarHBondContact O-N 3.45Å; Y252-L255 HydrophobicContact CD2-CD1 3.72Å; Y252-L255 HydrophobicContact CE2-CD1 4.1Å; Y252-L255 HydrophobicContact CG-CD1 4.37Å; Y252-L255 WeakPolarHBondContact O-CB 3.31Å; Y252-L255 VanDerWaalsContact O-CG 3.29Å; Y252-L255 WeakPolarHBondContact O-CG 3.48Å; Y252-L255 PolarHBondContact O-N 2.89Å; P253-L255 PolarHBondContact O-N 3.49Å |
| 256 | H | 93.1 | Very high | 87.9 | Confident | 38 Ų | 38 | 43.3 Ų | 43.3 | 18% | 0.176 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -87 | 113.5 | 178.6 | -62.3 | -32.1 | 0 | 0 | 0 | 111.2 | Y202 K210 P253 Q254 A309 | Y202-H256 PolarHBondContact O-CE1 3.38Å; K210-H256 PolarHBondContact NZ-ND1 3.5Å; P253-H256 PolarHBondContact O-N 2.76Å; Q254-H256 PolarHBondContact O-N 2.89Å; H256-A309 HydrophobicContact CB-CB 3.61Å; H256-A309 VanDerWaalsContact O-CB 3.29Å; H256-A309 WeakPolarHBondContact O-CB 3.21Å |
| 257 | S | 94.6 | Very high | 87 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | trans | -66 | 134.7 | -179.5 | -167.4 | 0 | 0 | 0 | 0 | 113.3 | Y212 C259 C334 | Y212-S257 PolarHBondContact OH-N 3.08Å; S257-C259 PolarHBondContact OG-N 3.48Å; S257-C259 PolarHBondContact OG-O 3.2Å; S257-C334 WeakPolarHBondContact CB-O 3.42Å; S257-C334 PolarHBondContact OG-O 3.26Å | ||
| 258 | K | 94.2 | Very high | 85.9 | Confident | 101 Ų | 101 | 44.9 Ų | 44.9 | 44% | 0.439 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -86 | -9.3 | 170.1 | -59 | -169.9 | -179.8 | -166.2 | 0 | 113.5 | E305 F306 A307 A309 | K258-E305 WeakPolarHBondContact O-CA 3.44Å; K258-F306 PolarHBondContact O-N 3.17Å; K258-A307 WeakPolarHBondContact CE-O 3.38Å; K258-A307 PolarHBondContact NZ-O 3.25Å; K258-A309 HydrophobicContact CG-CB 4.31Å |
| 259 | C | 94.6 | Very high | 85.1 | Confident | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.02 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 135.5 | -174.2 | -75.9 | 0 | 0 | 0 | 0 | 111.5 | S257 L304 C334 | S257-C259 PolarHBondContact OG-N 3.48Å; S257-C259 PolarHBondContact OG-O 3.2Å; C259-L304 CarbonylContact C-O 3.41Å; C259-L304 WeakPolarHBondContact CA-O 3.14Å; C259-C334 HydrophobicContact CB-CB 3.66Å; C259-C334 WeakPolarHBondContact O-CB 3.31Å; C259-C334 PolarHBondContact O-N 3.11Å |
| 260 | L | 94.4 | Very high | 84.3 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 145.6 | 174.4 | -56.1 | -176.1 | 0 | 0 | 0 | 110.7 | V303 L304 F306 A312 A315 Q316 V331 S332 F333 C334 | L260-V303 WeakPolarHBondContact O-CA 3.33Å; L260-L304 PolarHBondContact N-O 3.47Å; L260-L304 PolarHBondContact O-N 2.84Å; L260-F306 HydrophobicContact CD1-CD2 4.39Å; L260-F306 HydrophobicContact CD1-CE2 3.61Å; L260-F306 HydrophobicContact CD1-CZ 4.26Å; L260-F306 HydrophobicContact CG-CD2 4.39Å; L260-F306 HydrophobicContact CG-CE2 3.93Å; L260-A312 HydrophobicContact CD2-CB 4.2Å; L260-A312 HydrophobicContact CG-CB 4.34Å; L260-A315 HydrophobicContact CD1-CB 4.14Å; L260-Q316 HydrophobicContact CD1-CB 3.97Å; L260-Q316 HydrophobicContact CD2-CB 3.95Å; L260-Q316 HydrophobicContact CD2-CG 4.32Å; L260-V331 HydrophobicContact CB-CG1 4.16Å; L260-V331 HydrophobicContact CD1-CG1 3.79Å; L260-V331 HydrophobicContact CG-CG1 4.46Å; L260-S332 CarbonylContact C-O 3.52Å; L260-S332 VanDerWaalsContact CA-O 3.3Å; L260-S332 WeakPolarHBondContact CA-O 3.43Å; L260-F333 HydrophobicContact CD2-CD1 3.46Å; L260-F333 VanDerWaalsContact CD2-CD1 3.46Å; L260-F333 HydrophobicContact CD2-CE1 3.81Å; L260-F333 HydrophobicContact CD2-CG 4.02Å; L260-C334 VanDerWaalsContact C-SG 3.5Å |
| 261 | C | 93.5 | Very high | 83.7 | Confident | 18 Ų | 18 | 46.9 Ų | 46.9 | 12% | 0.122 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 121.6 | 168.3 | -175.6 | 0 | 0 | 0 | 0 | 108.7 | A302 S332 | C261-A302 WeakPolarHBondContact CA-O 3.23Å; C261-S332 PolarHBondContact N-O 3.27Å; C261-S332 PolarHBondContact O-N 2.63Å; C261-S332 PolarHBondContact O-OG 3.3Å |
| 262 | V | 91.1 | Very high | 83 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 122.5 | 174.1 | -175.1 | 0 | 0 | 0 | 0 | 108.3 | L265 L275 F301 A302 L304 I329 R330 V331 | V262-L265 HydrophobicContact CG1-CD2 3.84Å; V262-L265 HydrophobicContact CG1-CG 4.42Å; V262-L275 HydrophobicContact CB-CD2 4.43Å; V262-L275 HydrophobicContact CG1-CD1 4.17Å; V262-L275 HydrophobicContact CG2-CD1 4.39Å; V262-L275 HydrophobicContact CG2-CD2 4.37Å; V262-F301 CarbonylContact O-C 3.58Å; V262-F301 WeakPolarHBondContact O-CA 3.37Å; V262-F301 WeakPolarHBondContact O-CB 3.47Å; V262-A302 HydrophobicContact CB-CB 4.47Å; V262-A302 PolarHBondContact N-O 2.76Å; V262-A302 PolarHBondContact O-N 2.93Å; V262-L304 HydrophobicContact CG2-CD1 3.75Å; V262-I329 HydrophobicContact CG1-CB 4.01Å; V262-I329 HydrophobicContact CG1-CD1 3.81Å; V262-I329 HydrophobicContact CG1-CG2 4.36Å; V262-R330 CarbonylContact C-O 3.56Å; V262-R330 VanDerWaalsContact CA-O 3.31Å; V262-R330 WeakPolarHBondContact CA-O 3.32Å; V262-V331 HydrophobicContact CG1-CG2 4.32Å; V262-V331 HydrophobicContact CG2-CG1 4.23Å; V262-V331 HydrophobicContact CG2-CG2 4.12Å |
| 263 | D | 88.4 | Confident | 82.6 | Confident | 33 Ų | 33 | 45.9 Ų | 45.9 | 18% | 0.176 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | -177.8 | 176.2 | 86.6 | -47.1 | 0 | 0 | 0 | 112.5 | L265 F301 R330 | D263-L265 PolarHBondContact O-N 3.25Å; D263-F301 HydrophobicContact CB-CB 4.25Å; D263-R330 PolarHBondContact N-O 2.78Å; D263-R330 PolarHBondContact O-N 3.31Å; D263-R330 VanDerWaalsContact O-N 3.09Å; D263-R330 VanDerWaalsContact OD1-CB 3.29Å; D263-R330 WeakPolarHBondContact OD1-CB 3.5Å; D263-R330 WeakPolarHBondContact OD1-CG 3.3Å; D263-R330 IonicContact OD1-CZ 3.95Å; D263-R330 IonicContact OD1-NE 3.67Å; D263-R330 PolarHBondContact OD1-NE 3.14Å; D263-R330 IonicContact OD1-NH2 3.01Å; D263-R330 IonicContact OD2-CZ 2.73Å; D263-R330 IonicContact OD2-NE 3.56Å; D263-R330 PolarHBondContact OD2-NE 2.77Å; D263-R330 IonicContact OD2-NH2 3.53Å; D263-R330 PolarHBondContact OD2-NH2 3.47Å |
| 264 | Q | 84.4 | Confident | 82.2 | Confident | 67 Ų | 67 | 44 Ų | 44 | 31% | 0.313 | 24% | 0.24 | S | C | . | . | S | Bend | trans | 59 | 19.6 | -167.8 | -61.7 | -167.7 | 66.1 | 0 | 0 | 115.6 | R68 | R68-Q264 VanDerWaalsContact NH1-OE1 3.11Š|
| 265 | L | 84.1 | Confident | 81.8 | Confident | 7 Ų | 7 | 39.4 Ų | 39.4 | 4% | 0.037 | 22% | 0.218 | C | C | . | . | trans | -52.8 | 140.4 | 176.8 | -65.5 | 174.5 | 0 | 0 | 0 | 112.1 | V262 D263 L290 R300 A302 I329 | V262-L265 HydrophobicContact CG1-CD2 3.84Å; V262-L265 HydrophobicContact CG1-CG 4.42Å; D263-L265 PolarHBondContact O-N 3.25Å; L265-L290 HydrophobicContact CD1-CD2 4.14Å; L265-R300 VanDerWaalsContact O-CZ 3.3Å; L265-R300 PolarHBondContact O-NE 3.32Å; L265-R300 PolarHBondContact O-NH2 3.29Å; L265-A302 HydrophobicContact CD1-CB 4.06Å; L265-I329 HydrophobicContact CD2-CG2 3.84Å | ||
| 266 | P | 77.1 | Confident | 81.4 | Confident | 5 Ų | 5 | 43.4 Ų | 43.4 | 3% | 0.032 | 23% | 0.233 | C | C | . | . | trans | -70.4 | 153.1 | 179 | 30.7 | -33.4 | 0 | 0 | 0 | 110.5 | S268 L269 T327 | P266-S268 PolarHBondContact O-N 3.22Å; P266-S268 VanDerWaalsContact O-N 3.16Å; P266-L269 HydrophobicContact CG-CB 3.85Å; P266-L269 HydrophobicContact CG-CD1 3.81Å; P266-L269 HydrophobicContact CG-CG 3.57Å; P266-L269 PolarHBondContact O-N 3.31Å; P266-T327 HydrophobicContact CB-CG2 3.89Å; P266-T327 VanDerWaalsContact CB-OG1 3.3Å; P266-T327 WeakPolarHBondContact CB-OG1 3.21Å; P266-T327 WeakPolarHBondContact CD-OG1 3.43Å; P266-T327 WeakPolarHBondContact CG-OG1 3.47Å | ||
| 267 | P | 68.9 | Low | 80.8 | Confident | 106 Ų | 106 | 45.8 Ų | 45.8 | 69% | 0.688 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -13.1 | 177.6 | 30 | -36 | 0 | 0 | 0 | 113.6 | ||
| 268 | S | 61 | Low | 80.1 | Confident | 78 Ų | 78 | 46.6 Ų | 46.6 | 55% | 0.545 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -16.8 | 177.9 | 48.3 | 0 | 0 | 0 | 0 | 114.6 | P266 L270 | P266-S268 PolarHBondContact O-N 3.22Å; P266-S268 VanDerWaalsContact O-N 3.16Å; S268-L270 PolarHBondContact O-N 2.86Å |
| 269 | L | 62.3 | Low | 79.3 | Confident | 30 Ų | 30 | 42 Ų | 42 | 16% | 0.157 | 23% | 0.234 | C | C | . | . | trans | -85.1 | 96.8 | 176.8 | -79.7 | -172.2 | 0 | 0 | 0 | 111 | P266 D274 L324 | P266-L269 HydrophobicContact CG-CB 3.85Å; P266-L269 HydrophobicContact CG-CD1 3.81Å; P266-L269 HydrophobicContact CG-CG 3.57Å; P266-L269 PolarHBondContact O-N 3.31Å; L269-D274 HydrophobicContact CD2-CB 3.55Å; L269-L324 HydrophobicContact CD1-CB 4.02Å; L269-L324 HydrophobicContact CD1-CD1 4Å; L269-L324 HydrophobicContact CD1-CD2 4.04Å; L269-L324 HydrophobicContact CD1-CG 4.26Å | ||
| 270 | L | 60.3 | Low | 78.3 | Confident | 100 Ų | 100 | 45 Ų | 45 | 52% | 0.524 | 26% | 0.26 | S | S | . | . | trans | -94.2 | -17.1 | -179 | -59.4 | 170.6 | 0 | 0 | 0 | 112.9 | S268 L290 F298 | S268-L270 PolarHBondContact O-N 2.86Å; L270-L290 WeakPolarHBondContact O-CD1 3.4Å; L270-F298 HydrophobicContact CB-CE1 4.47Å; L270-F298 HydrophobicContact CB-CZ 4.15Å; L270-F298 HydrophobicContact CD2-CD2 3.92Å; L270-F298 HydrophobicContact CD2-CE1 4.26Å; L270-F298 HydrophobicContact CD2-CE2 3.49Å; L270-F298 VanDerWaalsContact CD2-CE2 3.49Å; L270-F298 HydrophobicContact CD2-CG 4.49Å; L270-F298 HydrophobicContact CD2-CZ 3.68Å; L270-F298 WeakPolarHBondContact O-CE1 3.38Å | ||
| 271 | T | 71.3 | Confident | 77.4 | Confident | 74 Ų | 74 | 50.5 Ų | 50.5 | 45% | 0.454 | 29% | 0.289 | S | S | . | . | trans | -111.6 | 133 | -170.7 | -20.6 | 0 | 0 | 0 | 0 | 112.8 | Q273 D274 | T271-Q273 HydrophobicContact CG2-CB 3.99Å; T271-Q273 PolarHBondContact O-N 3.1Å; T271-D274 WeakPolarHBondContact CB-OD2 3.34Å; T271-D274 PolarHBondContact O-N 2.83Å; T271-D274 PolarHBondContact OG1-OD2 3.41Å | ||
| 272 | A | 73.6 | Confident | 76.7 | Confident | 21 Ų | 21 | 50.9 Ų | 50.9 | 17% | 0.174 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.4 | -16.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R276 L290 | A272-R276 WeakPolarHBondContact O-CG 3.28Å; A272-R276 PolarHBondContact O-N 3.31Å; A272-L290 HydrophobicContact CB-CG 4.16Å |
| 273 | Q | 78.6 | Confident | 76.3 | Confident | 85 Ų | 85 | 54.1 Ų | 54.1 | 40% | 0.397 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -70.5 | -38.3 | 177 | -170.5 | 61.7 | 26.9 | 0 | 0 | 112 | T271 L275 R276 N277 | T271-Q273 HydrophobicContact CG2-CB 3.99Å; T271-Q273 PolarHBondContact O-N 3.1Å; Q273-L275 VanDerWaalsContact C-N 3.3Å; Q273-L275 PolarHBondContact O-N 3.31Å; Q273-R276 WeakPolarHBondContact O-CB 3.02Å; Q273-R276 PolarHBondContact O-N 3.28Å; Q273-R276 VanDerWaalsContact O-N 3.09Å; Q273-R276 VanDerWaalsContact OE1-CZ 3.31Å; Q273-N277 PolarHBondContact NE2-OD1 3.02Å; Q273-N277 PolarHBondContact O-N 3.22Å; Q273-N277 PolarHBondContact O-OD1 3.13Å |
| 274 | D | 79.9 | Confident | 76.1 | Confident | 51 Ų | 51 | 57.7 Ų | 57.7 | 27% | 0.273 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.2 | -39.8 | -177.9 | -50.7 | -43.3 | 0 | 0 | 0 | 110.7 | L269 T271 N277 A278 | L269-D274 HydrophobicContact CD2-CB 3.55Å; T271-D274 WeakPolarHBondContact CB-OD2 3.34Å; T271-D274 PolarHBondContact O-N 2.83Å; T271-D274 PolarHBondContact OG1-OD2 3.41Å; D274-N277 PolarHBondContact O-N 2.99Å; D274-A278 WeakPolarHBondContact O-CB 3.4Å; D274-A278 PolarHBondContact O-N 2.92Å |
| 275 | L | 81.6 | Confident | 76.4 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.8 | -33.6 | 174.1 | -174.5 | 59.3 | 0 | 0 | 0 | 112.8 | V262 Q273 L279 L290 A302 L304 L324 I329 | V262-L275 HydrophobicContact CB-CD2 4.43Å; V262-L275 HydrophobicContact CG1-CD1 4.17Å; V262-L275 HydrophobicContact CG2-CD1 4.39Å; V262-L275 HydrophobicContact CG2-CD2 4.37Å; Q273-L275 VanDerWaalsContact C-N 3.3Å; Q273-L275 PolarHBondContact O-N 3.31Å; L275-L279 HydrophobicContact CD1-CD1 4.18Å; L275-L279 HydrophobicContact CG-CD1 4.4Å; L275-L279 PolarHBondContact O-N 3.18Å; L275-L290 HydrophobicContact CD2-CD2 4.19Å; L275-A302 HydrophobicContact CD2-CB 3.48Å; L275-A302 VanDerWaalsContact CD2-CB 3.48Å; L275-L304 HydrophobicContact CD2-CD1 3.93Å; L275-L324 HydrophobicContact CD1-CD1 4.02Å; L275-I329 HydrophobicContact CD1-CD1 4.37Å |
| 276 | R | 82.6 | Confident | 76.7 | Confident | 87 Ų | 87 | 60.4 Ų | 60.4 | 33% | 0.328 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.5 | -43.9 | 171.4 | -75.7 | -172.9 | -69.3 | -98.7 | 8.2 | 111.5 | A272 Q273 A278 L279 A280 P285 C288 | A272-R276 WeakPolarHBondContact O-CG 3.28Å; A272-R276 PolarHBondContact O-N 3.31Å; Q273-R276 WeakPolarHBondContact O-CB 3.02Å; Q273-R276 PolarHBondContact O-N 3.28Å; Q273-R276 VanDerWaalsContact O-N 3.09Å; Q273-R276 VanDerWaalsContact OE1-CZ 3.31Å; R276-A278 VanDerWaalsContact C-N 3.33Å; R276-A278 PolarHBondContact O-N 3.07Å; R276-L279 PolarHBondContact O-N 2.89Å; R276-A280 PolarHBondContact O-N 2.87Å; R276-A280 VanDerWaalsContact O-N 3.08Å; R276-P285 HydrophobicContact CG-CG 4.25Å; R276-C288 HydrophobicContact CG-CB 3.92Å; R276-C288 PolarHBondContact NH1-O 2.96Å |
| 277 | N | 81.4 | Confident | 77.4 | Confident | 88 Ų | 88 | 61.3 Ų | 61.3 | 47% | 0.471 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 177.9 | -64.2 | -7.4 | 0 | 0 | 0 | 110.8 | Q273 D274 L279 A280 | Q273-N277 PolarHBondContact NE2-OD1 3.02Å; Q273-N277 PolarHBondContact O-N 3.22Å; Q273-N277 PolarHBondContact O-OD1 3.13Å; D274-N277 PolarHBondContact O-N 2.99Å; N277-L279 PolarHBondContact O-N 2.98Å; N277-A280 VanDerWaalsContact O-CB 3.24Å; N277-A280 WeakPolarHBondContact O-CB 3.29Å; N277-A280 PolarHBondContact O-N 2.95Å; N277-A280 VanDerWaalsContact O-N 3.17Å |
| 278 | A | 78.3 | Confident | 78.4 | Confident | 20 Ų | 20 | 56.9 Ų | 56.9 | 17% | 0.165 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -16.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | D274 R276 R322 L324 | D274-A278 WeakPolarHBondContact O-CB 3.4Å; D274-A278 PolarHBondContact O-N 2.92Å; R276-A278 VanDerWaalsContact C-N 3.33Å; R276-A278 PolarHBondContact O-N 3.07Å; A278-R322 PolarHBondContact O-NH1 2.95Å; A278-L324 HydrophobicContact CB-CD1 3.66Å; A278-L324 HydrophobicContact CB-CD2 3.69Å; A278-L324 HydrophobicContact CB-CG 3.87Å |
| 279 | L | 77.7 | Confident | 79.8 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.016 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 1.7 | 178.4 | -67.6 | 167.6 | 0 | 0 | 0 | 112.2 | L275 R276 N277 D281 T282 L304 | L275-L279 HydrophobicContact CD1-CD1 4.18Å; L275-L279 HydrophobicContact CG-CD1 4.4Å; L275-L279 PolarHBondContact O-N 3.18Å; R276-L279 PolarHBondContact O-N 2.89Å; N277-L279 PolarHBondContact O-N 2.98Å; L279-D281 PolarHBondContact O-N 2.87Å; L279-T282 PolarHBondContact O-N 3.17Å; L279-T282 PolarHBondContact O-OG1 2.89Å; L279-L304 HydrophobicContact CD1-CD2 3.38Å |
| 280 | A | 73.3 | Confident | 81 | Confident | 68 Ų | 68 | 56.5 Ų | 56.5 | 56% | 0.562 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -28.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R276 N277 T282 | R276-A280 PolarHBondContact O-N 2.87Å; R276-A280 VanDerWaalsContact O-N 3.08Å; N277-A280 VanDerWaalsContact O-CB 3.24Å; N277-A280 WeakPolarHBondContact O-CB 3.29Å; N277-A280 PolarHBondContact O-N 2.95Å; N277-A280 VanDerWaalsContact O-N 3.17Å; A280-T282 PolarHBondContact O-N 2.88Å |
| 281 | D | 75.9 | Confident | 82.4 | Confident | 118 Ų | 118 | 51.8 Ų | 51.8 | 63% | 0.631 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -14.1 | 172.9 | -50.9 | 1 | 0 | 0 | 0 | 114.3 | L279 R322 | L279-D281 PolarHBondContact O-N 2.87Å; D281-R322 IonicContact OD2-CZ 2.82Å; D281-R322 IonicContact OD2-NH1 3.87Å; D281-R322 PolarHBondContact OD2-NH1 2.88Å; D281-R322 IonicContact OD2-NH2 2.72Å; D281-R322 PolarHBondContact OD2-NH2 3.22Å |
| 282 | T | 79.5 | Confident | 83 | Confident | 26 Ų | 26 | 52.7 Ų | 52.7 | 16% | 0.16 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -111.6 | -102.5 | -172.8 | 64.1 | 0 | 0 | 0 | 0 | 111.6 | L279 A280 F318 | L279-T282 PolarHBondContact O-N 3.17Å; L279-T282 PolarHBondContact O-OG1 2.89Å; A280-T282 PolarHBondContact O-N 2.88Å; T282-F318 HydrophobicContact CG2-CB 3.77Å; T282-F318 HydrophobicContact CG2-CD2 4.32Å; T282-F318 HydrophobicContact CG2-CG 4.37Å |
| 283 | H | 82.9 | Confident | 83 | Confident | 67 Ų | 67 | 52.2 Ų | 52.2 | 31% | 0.31 | 29% | 0.291 | S | S | . | . | trans | -128.9 | 145.9 | 174.5 | -59 | -64 | 0 | 0 | 0 | 109.2 | P285 F306 M311 | H283-P285 WeakPolarHBondContact O-CD 3.44Å; H283-F306 HydrophobicContact CB-CD1 4.19Å; H283-F306 HydrophobicContact CB-CE1 4.34Å; H283-F306 WeakPolarHBondContact O-CE1 3.49Å; H283-M311 HydrophobicContact CB-CB 4.26Å; H283-M311 HydrophobicContact CB-CG 4.3Å | ||
| 284 | S | 84.4 | Confident | 82.7 | Confident | 109 Ų | 109 | 58 Ų | 58 | 76% | 0.762 | 32% | 0.318 | S | S | * | . | trans | -69.4 | 124.5 | 174.6 | 44.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 285 | P | 89.3 | Confident | 82.3 | Confident | 23 Ų | 23 | 61.1 Ų | 61.1 | 15% | 0.149 | 34% | 0.335 | C | S | . | . | trans | -74.1 | 133.5 | 177.8 | 30 | -34.7 | 0 | 0 | 0 | 110.6 | R276 H283 F287 C288 L304 E305 F306 | R276-P285 HydrophobicContact CG-CG 4.25Å; H283-P285 WeakPolarHBondContact O-CD 3.44Å; P285-F287 VanDerWaalsContact C-N 3.26Å; P285-F287 PolarHBondContact O-N 2.65Å; P285-C288 HydrophobicContact CB-CB 4.27Å; P285-C288 HydrophobicContact CG-CB 3.84Å; P285-L304 HydrophobicContact CB-CB 4.33Å; P285-L304 HydrophobicContact CB-CD2 4.08Å; P285-L304 HydrophobicContact CB-CG 4.42Å; P285-L304 HydrophobicContact CG-CD2 4.09Å; P285-E305 CarbonylContact C-O 3.6Å; P285-E305 WeakPolarHBondContact CA-O 3.39Å; P285-F306 HydrophobicContact CB-CD1 4.41Å; P285-F306 HydrophobicContact CB-CE1 3.99Å; P285-F306 HydrophobicContact CB-CE2 4.49Å; P285-F306 HydrophobicContact CB-CZ 4.03Å | ||
| 286 | V | 90.9 | Very high | 81.7 | Confident | 108 Ų | 108 | 63 Ų | 63 | 66% | 0.655 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -65.1 | -33.1 | 177.5 | -178.5 | 0 | 0 | 0 | 0 | 111 | E305 A307 | V286-E305 PolarHBondContact N-O 3.32Å; V286-A307 HydrophobicContact CG2-CB 4.16Å |
| 287 | F | 91.3 | Very high | 81.2 | Confident | 23 Ų | 23 | 61.2 Ų | 61.2 | 10% | 0.101 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 137.6 | 170.7 | 172.6 | -100.3 | 0 | 0 | 0 | 109.1 | P285 Q289 V303 L304 E305 R341 L344 | P285-F287 VanDerWaalsContact C-N 3.26Å; P285-F287 PolarHBondContact O-N 2.65Å; F287-Q289 HydrophobicContact CE1-CB 4.01Å; F287-Q289 HydrophobicContact CE2-CB 3.88Å; F287-Q289 HydrophobicContact CZ-CB 3.46Å; F287-Q289 VanDerWaalsContact CZ-CB 3.46Å; F287-Q289 HydrophobicContact CZ-CG 4.34Å; F287-Q289 VanDerWaalsContact CZ-OE1 3.25Å; F287-V303 HydrophobicContact CE1-CG1 4.44Å; F287-L304 CarbonylContact O-C 3.58Å; F287-L304 WeakPolarHBondContact O-CA 3.19Å; F287-E305 HydrophobicContact CB-CB 3.95Å; F287-E305 PolarHBondContact N-O 2.79Å; F287-E305 PolarHBondContact O-N 3.15Å; F287-R341 HydrophobicContact CD2-CG 3.87Å; F287-R341 HydrophobicContact CE1-CG 4.42Å; F287-R341 HydrophobicContact CE2-CG 3.4Å; F287-R341 HydrophobicContact CZ-CB 4.41Å; F287-R341 HydrophobicContact CZ-CG 3.7Å; F287-L344 HydrophobicContact CE1-CD2 4.47Å; F287-L344 HydrophobicContact CZ-CD2 4.07Å |
| 288 | C | 90.5 | Very high | 80.6 | Confident | 14 Ų | 14 | 61.1 Ų | 61.1 | 10% | 0.095 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 113.2 | 174 | 172.8 | 0 | 0 | 0 | 0 | 109.1 | R276 P285 L304 | R276-C288 HydrophobicContact CG-CB 3.92Å; R276-C288 PolarHBondContact NH1-O 2.96Å; P285-C288 HydrophobicContact CB-CB 4.27Å; P285-C288 HydrophobicContact CG-CB 3.84Å; C288-L304 HydrophobicContact CB-CD2 4.47Å; C288-L304 HydrophobicContact CB-CG 3.97Å |
| 289 | Q | 89.5 | Confident | 80.3 | Confident | 84 Ų | 84 | 62.7 Ų | 62.7 | 39% | 0.393 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 136.2 | -177.2 | -176 | 175.1 | -8.1 | 0 | 0 | 111.5 | F287 A302 V303 L344 | F287-Q289 HydrophobicContact CE1-CB 4.01Å; F287-Q289 HydrophobicContact CE2-CB 3.88Å; F287-Q289 HydrophobicContact CZ-CB 3.46Å; F287-Q289 VanDerWaalsContact CZ-CB 3.46Å; F287-Q289 HydrophobicContact CZ-CG 4.34Å; F287-Q289 VanDerWaalsContact CZ-OE1 3.25Å; Q289-A302 WeakPolarHBondContact O-CA 3.38Å; Q289-V303 PolarHBondContact N-O 2.74Å; Q289-V303 VanDerWaalsContact N-O 3.08Å; Q289-V303 PolarHBondContact O-N 2.77Å; Q289-L344 HydrophobicContact CB-CD2 3.89Å; Q289-L344 HydrophobicContact CG-CD2 3.68Å |
| 290 | L | 89.2 | Confident | 80.4 | Confident | 15 Ų | 15 | 68.6 Ų | 68.6 | 8% | 0.079 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 144.2 | 173.3 | -56.9 | -176.9 | 0 | 0 | 0 | 110.8 | L265 L270 A272 L275 Q292 F298 A302 | L265-L290 HydrophobicContact CD1-CD2 4.14Å; L270-L290 WeakPolarHBondContact O-CD1 3.4Å; A272-L290 HydrophobicContact CB-CG 4.16Å; L275-L290 HydrophobicContact CD2-CD2 4.19Å; L290-Q292 PolarHBondContact O-N 2.94Å; L290-F298 HydrophobicContact CD1-CD1 4.26Å; L290-F298 HydrophobicContact CD1-CE1 4.01Å; L290-A302 HydrophobicContact CD2-CB 3.7Å |
| 291 | A | 88.2 | Confident | 81.2 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.008 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 114.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | R299 F301 L344 I348 | A291-R299 HydrophobicContact CB-CB 4.05Å; A291-R299 PolarHBondContact O-N 2.94Å; A291-F301 HydrophobicContact CB-CD1 3.76Å; A291-F301 HydrophobicContact CB-CD2 3.7Å; A291-F301 HydrophobicContact CB-CE1 3.54Å; A291-F301 HydrophobicContact CB-CE2 3.49Å; A291-F301 VanDerWaalsContact CB-CE2 3.49Å; A291-F301 HydrophobicContact CB-CG 3.84Å; A291-F301 HydrophobicContact CB-CZ 3.41Å; A291-F301 VanDerWaalsContact CB-CZ 3.41Å; A291-F301 VanDerWaalsContact CB-O 3.23Å; A291-F301 WeakPolarHBondContact CB-O 3.34Å; A291-F301 PolarHBondContact N-O 3Å; A291-L344 HydrophobicContact CB-CD1 3.83Å; A291-I348 HydrophobicContact CB-CD1 4.19Å; A291-I348 HydrophobicContact CB-CG1 4.07Å |
| 292 | Q | 85.3 | Confident | 81.9 | Confident | 93 Ų | 93 | 60.5 Ų | 60.5 | 44% | 0.435 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 143.3 | 175.4 | -69.7 | 172 | -20 | 0 | 0 | 109.9 | L290 S297 | L290-Q292 PolarHBondContact O-N 2.94Å; Q292-S297 CarbonylContact C-O 3.53Å; Q292-S297 WeakPolarHBondContact CA-O 3.28Å |
| 293 | G | 73.4 | Confident | 82.5 | Confident | 11 Ų | 11 | 59.3 Ų | 59.3 | 11% | 0.113 | 31% | 0.314 | C | S | . | . | trans | -74.4 | 173.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | D295 G296 S297 | G293-D295 VanDerWaalsContact CA-OD1 3.3Å; G293-D295 WeakPolarHBondContact CA-OD1 3.14Å; G293-D295 PolarHBondContact O-N 3.35Å; G293-G296 WeakPolarHBondContact O-CA 3.3Å; G293-G296 PolarHBondContact O-N 3.24Å; G293-S297 PolarHBondContact N-O 3.41Å | ||
| 294 | Q | 72.6 | Confident | 83 | Confident | 207 Ų | 207 | 56.1 Ų | 56.1 | 97% | 0.967 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -25 | 172.7 | -66.1 | 177.3 | -14.1 | 0 | 0 | 112 | G296 | Q294-G296 VanDerWaalsContact C-N 3.3Š|
| 295 | D | 71.7 | Confident | 83.5 | Confident | 117 Ų | 117 | 53 Ų | 53 | 63% | 0.626 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | 2.3 | 170.9 | 57.4 | -48.2 | 0 | 0 | 0 | 113.6 | G293 S297 | G293-D295 VanDerWaalsContact CA-OD1 3.3Å; G293-D295 WeakPolarHBondContact CA-OD1 3.14Å; G293-D295 PolarHBondContact O-N 3.35Å; D295-S297 VanDerWaalsContact CG-OG 3.24Å; D295-S297 PolarHBondContact O-N 3.43Å; D295-S297 PolarHBondContact OD1-OG 2.92Å; D295-S297 WeakPolarHBondContact OD2-CB 3.46Å; D295-S297 PolarHBondContact OD2-OG 3.4Å |
| 296 | G | 68.3 | Low | 83.7 | Confident | 40 Ų | 40 | 52 Ų | 52 | 41% | 0.412 | 27% | 0.266 | S | S | . | . | trans | 75.1 | -3.3 | -177 | 0 | 0 | 0 | 0 | 0 | 115.1 | G293 Q294 | G293-G296 WeakPolarHBondContact O-CA 3.3Å; G293-G296 PolarHBondContact O-N 3.24Å; Q294-G296 VanDerWaalsContact C-N 3.3Å | ||
| 297 | S | 71.6 | Confident | 83.8 | Confident | 51 Ų | 51 | 49.5 Ų | 49.5 | 36% | 0.357 | 26% | 0.256 | S | S | . | . | trans | -65.2 | 140 | -178.3 | 63.1 | 0 | 0 | 0 | 0 | 112.8 | Q292 G293 D295 R299 | Q292-S297 CarbonylContact C-O 3.53Å; Q292-S297 WeakPolarHBondContact CA-O 3.28Å; G293-S297 PolarHBondContact N-O 3.41Å; D295-S297 VanDerWaalsContact CG-OG 3.24Å; D295-S297 PolarHBondContact O-N 3.43Å; D295-S297 PolarHBondContact OD1-OG 2.92Å; D295-S297 WeakPolarHBondContact OD2-CB 3.46Å; D295-S297 PolarHBondContact OD2-OG 3.4Å; S297-R299 PolarHBondContact O-N 2.79Å | ||
| 298 | F | 69.6 | Low | 83.9 | Confident | 86 Ų | 86 | 50.6 Ų | 50.6 | 38% | 0.377 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 113.9 | 178.5 | -68.5 | -92.3 | 0 | 0 | 0 | 110.4 | L270 L290 R300 | L270-F298 HydrophobicContact CB-CE1 4.47Å; L270-F298 HydrophobicContact CB-CZ 4.15Å; L270-F298 HydrophobicContact CD2-CD2 3.92Å; L270-F298 HydrophobicContact CD2-CE1 4.26Å; L270-F298 HydrophobicContact CD2-CE2 3.49Å; L270-F298 VanDerWaalsContact CD2-CE2 3.49Å; L270-F298 HydrophobicContact CD2-CG 4.49Å; L270-F298 HydrophobicContact CD2-CZ 3.68Å; L270-F298 WeakPolarHBondContact O-CE1 3.38Å; L290-F298 HydrophobicContact CD1-CD1 4.26Å; L290-F298 HydrophobicContact CD1-CE1 4.01Å; F298-R300 PolarHBondContact O-N 3.03Å; F298-R300 VanDerWaalsContact O-N 3.17Å |
| 299 | R | 70.9 | Confident | 84 | Confident | 52 Ų | 52 | 50.7 Ų | 50.7 | 20% | 0.196 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 8.9 | -176.9 | -72 | 173.2 | 166.5 | -112.1 | 7.4 | 114.3 | A291 S297 F301 T352 | A291-R299 HydrophobicContact CB-CB 4.05Å; A291-R299 PolarHBondContact O-N 2.94Å; S297-R299 PolarHBondContact O-N 2.79Å; R299-F301 HydrophobicContact CB-CD1 4.03Å; R299-F301 HydrophobicContact CB-CE1 3.85Å; R299-F301 WeakPolarHBondContact O-CD1 3.45Å; R299-F301 PolarHBondContact O-N 2.89Å; R299-T352 VanDerWaalsContact CZ-OG1 3.27Å; R299-T352 PolarHBondContact NH1-OG1 2.59Å; R299-T352 PolarHBondContact NH2-OG1 3.1Å |
| 300 | R | 80.9 | Confident | 84.2 | Confident | 127 Ų | 127 | 53.9 Ų | 53.9 | 48% | 0.479 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 58.8 | 22.2 | 175.3 | -55.9 | -171.5 | 64.7 | -175 | -3.4 | 115.6 | L265 F298 | L265-R300 VanDerWaalsContact O-CZ 3.3Å; L265-R300 PolarHBondContact O-NE 3.32Å; L265-R300 PolarHBondContact O-NH2 3.29Å; F298-R300 PolarHBondContact O-N 3.03Å; F298-R300 VanDerWaalsContact O-N 3.17Å |
| 301 | F | 89.1 | Confident | 84.3 | Confident | 17 Ų | 17 | 56 Ų | 56 | 8% | 0.075 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 166 | 165.1 | 74 | -87.6 | 0 | 0 | 0 | 111.4 | V262 D263 A291 R299 V303 L344 L347 I348 | V262-F301 CarbonylContact O-C 3.58Å; V262-F301 WeakPolarHBondContact O-CA 3.37Å; V262-F301 WeakPolarHBondContact O-CB 3.47Å; D263-F301 HydrophobicContact CB-CB 4.25Å; A291-F301 HydrophobicContact CB-CD1 3.76Å; A291-F301 HydrophobicContact CB-CD2 3.7Å; A291-F301 HydrophobicContact CB-CE1 3.54Å; A291-F301 HydrophobicContact CB-CE2 3.49Å; A291-F301 VanDerWaalsContact CB-CE2 3.49Å; A291-F301 HydrophobicContact CB-CG 3.84Å; A291-F301 HydrophobicContact CB-CZ 3.41Å; A291-F301 VanDerWaalsContact CB-CZ 3.41Å; A291-F301 VanDerWaalsContact CB-O 3.23Å; A291-F301 WeakPolarHBondContact CB-O 3.34Å; A291-F301 PolarHBondContact N-O 3Å; R299-F301 HydrophobicContact CB-CD1 4.03Å; R299-F301 HydrophobicContact CB-CE1 3.85Å; R299-F301 WeakPolarHBondContact O-CD1 3.45Å; R299-F301 PolarHBondContact O-N 2.89Å; F301-V303 HydrophobicContact CE2-CG2 4.39Å; F301-L344 HydrophobicContact CE2-CD1 4.17Å; F301-L347 HydrophobicContact CE2-CB 3.71Å; F301-L347 HydrophobicContact CE2-CD1 4.2Å; F301-L347 HydrophobicContact CZ-CB 3.86Å; F301-I348 HydrophobicContact CZ-CG1 3.84Å |
| 302 | A | 90.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 155.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | C261 V262 L265 L275 Q289 L290 L304 | C261-A302 WeakPolarHBondContact CA-O 3.23Å; V262-A302 HydrophobicContact CB-CB 4.47Å; V262-A302 PolarHBondContact N-O 2.76Å; V262-A302 PolarHBondContact O-N 2.93Å; L265-A302 HydrophobicContact CD1-CB 4.06Å; L275-A302 HydrophobicContact CD2-CB 3.48Å; L275-A302 VanDerWaalsContact CD2-CB 3.48Å; Q289-A302 WeakPolarHBondContact O-CA 3.38Å; L290-A302 HydrophobicContact CD2-CB 3.7Å; A302-L304 HydrophobicContact CB-CD1 4.39Å |
| 303 | V | 93.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 133.4 | 174 | 177 | 0 | 0 | 0 | 0 | 110.2 | L260 F287 Q289 F301 M343 L344 L347 | L260-V303 WeakPolarHBondContact O-CA 3.33Å; F287-V303 HydrophobicContact CE1-CG1 4.44Å; Q289-V303 PolarHBondContact N-O 2.74Å; Q289-V303 VanDerWaalsContact N-O 3.08Å; Q289-V303 PolarHBondContact O-N 2.77Å; F301-V303 HydrophobicContact CE2-CG2 4.39Å; V303-M343 HydrophobicContact CG1-CB 4.31Å; V303-M343 HydrophobicContact CG1-CG 4.32Å; V303-L344 HydrophobicContact CB-CB 4.1Å; V303-L344 HydrophobicContact CB-CD1 4.04Å; V303-L344 HydrophobicContact CG2-CB 4.06Å; V303-L344 HydrophobicContact CG2-CD1 3.72Å; V303-L347 HydrophobicContact CG2-CD1 3.77Å |
| 304 | L | 93 | Very high | 85.8 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 152.7 | 175.6 | -69.4 | 75.1 | 0 | 0 | 0 | 110.4 | C259 L260 V262 L275 L279 P285 F287 C288 A302 F306 | C259-L304 CarbonylContact C-O 3.41Å; C259-L304 WeakPolarHBondContact CA-O 3.14Å; L260-L304 PolarHBondContact N-O 3.47Å; L260-L304 PolarHBondContact O-N 2.84Å; V262-L304 HydrophobicContact CG2-CD1 3.75Å; L275-L304 HydrophobicContact CD2-CD1 3.93Å; L279-L304 HydrophobicContact CD1-CD2 3.38Å; P285-L304 HydrophobicContact CB-CB 4.33Å; P285-L304 HydrophobicContact CB-CD2 4.08Å; P285-L304 HydrophobicContact CB-CG 4.42Å; P285-L304 HydrophobicContact CG-CD2 4.09Å; F287-L304 CarbonylContact O-C 3.58Å; F287-L304 WeakPolarHBondContact O-CA 3.19Å; C288-L304 HydrophobicContact CB-CD2 4.47Å; C288-L304 HydrophobicContact CB-CG 3.97Å; A302-L304 HydrophobicContact CB-CD1 4.39Å; L304-F306 HydrophobicContact CB-CE2 3.96Å; L304-F306 HydrophobicContact CB-CZ 4.48Å; L304-F306 HydrophobicContact CD2-CE2 4.41Å; L304-F306 HydrophobicContact CD2-CZ 4.17Å |
| 305 | E | 94.9 | Very high | 86.6 | Confident | 43 Ų | 43 | 45.1 Ų | 45.1 | 20% | 0.201 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 137.4 | 173.7 | -171.8 | 172.2 | -165.5 | 0 | 0 | 110.1 | K258 P285 V286 F287 P339 G340 | K258-E305 WeakPolarHBondContact O-CA 3.44Å; P285-E305 CarbonylContact C-O 3.6Å; P285-E305 WeakPolarHBondContact CA-O 3.39Å; V286-E305 PolarHBondContact N-O 3.32Å; F287-E305 HydrophobicContact CB-CB 3.95Å; F287-E305 PolarHBondContact N-O 2.79Å; F287-E305 PolarHBondContact O-N 3.15Å; E305-P339 WeakPolarHBondContact OE1-CA 3.29Å; E305-P339 WeakPolarHBondContact OE1-CB 3.34Å; E305-G340 VanDerWaalsContact CD-N 3.32Å; E305-G340 PolarHBondContact OE2-N 3.49Å |
| 306 | F | 93.8 | Very high | 87.6 | Confident | 3 Ų | 3 | 40.6 Ų | 40.6 | 1% | 0.013 | 22% | 0.217 | C | C | . | . | trans | -116.1 | 159.4 | 179.4 | -62.4 | -96.8 | 0 | 0 | 0 | 111 | K258 L260 H283 P285 L304 T308 M311 A312 A315 | K258-F306 PolarHBondContact O-N 3.17Å; L260-F306 HydrophobicContact CD1-CD2 4.39Å; L260-F306 HydrophobicContact CD1-CE2 3.61Å; L260-F306 HydrophobicContact CD1-CZ 4.26Å; L260-F306 HydrophobicContact CG-CD2 4.39Å; L260-F306 HydrophobicContact CG-CE2 3.93Å; H283-F306 HydrophobicContact CB-CD1 4.19Å; H283-F306 HydrophobicContact CB-CE1 4.34Å; H283-F306 WeakPolarHBondContact O-CE1 3.49Å; P285-F306 HydrophobicContact CB-CD1 4.41Å; P285-F306 HydrophobicContact CB-CE1 3.99Å; P285-F306 HydrophobicContact CB-CE2 4.49Å; P285-F306 HydrophobicContact CB-CZ 4.03Å; L304-F306 HydrophobicContact CB-CE2 3.96Å; L304-F306 HydrophobicContact CB-CZ 4.48Å; L304-F306 HydrophobicContact CD2-CE2 4.41Å; L304-F306 HydrophobicContact CD2-CZ 4.17Å; F306-T308 PolarHBondContact O-N 3.03Å; F306-M311 HydrophobicContact CB-CB 3.93Å; F306-M311 HydrophobicContact CD1-CB 4.23Å; F306-M311 HydrophobicContact CG-CB 4.37Å; F306-A312 HydrophobicContact CB-CB 4.22Å; F306-A312 HydrophobicContact CD2-CB 3.82Å; F306-A312 HydrophobicContact CG-CB 4.24Å; F306-A315 HydrophobicContact CD1-CB 4.45Å; F306-A315 HydrophobicContact CE1-CB 3.64Å; F306-A315 HydrophobicContact CE2-CB 4.06Å; F306-A315 HydrophobicContact CZ-CB 3.41Å; F306-A315 VanDerWaalsContact CZ-CB 3.41Å | ||
| 307 | A | 92.6 | Very high | 88.6 | Confident | 55 Ų | 55 | 46.2 Ų | 46.2 | 46% | 0.455 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -64.6 | -39.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | K258 V286 M311 | K258-A307 WeakPolarHBondContact CE-O 3.38Å; K258-A307 PolarHBondContact NZ-O 3.25Å; V286-A307 HydrophobicContact CG2-CB 4.16Å; A307-M311 HydrophobicContact CB-SD 4.05Å |
| 308 | T | 93.3 | Very high | 89.3 | Confident | 46 Ų | 46 | 49.6 Ų | 49.6 | 28% | 0.282 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -120.4 | 161.7 | 175.4 | 78.5 | 0 | 0 | 0 | 0 | 111.3 | F306 E310 M311 A312 | F306-T308 PolarHBondContact O-N 3.03Å; T308-E310 VanDerWaalsContact C-N 3.32Å; T308-E310 PolarHBondContact OG1-N 2.65Å; T308-M311 HydrophobicContact CG2-SD 4.35Å; T308-M311 WeakPolarHBondContact OG1-CG 3.21Å; T308-M311 PolarHBondContact OG1-N 2.79Å; T308-M311 VanDerWaalsContact OG1-N 3.14Å; T308-A312 PolarHBondContact O-N 3.06Å |
| 309 | A | 92.7 | Very high | 90.1 | Very high | 17 Ų | 17 | 45.5 Ų | 45.5 | 14% | 0.14 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -75.7 | -22.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | H256 K258 A312 E313 | H256-A309 HydrophobicContact CB-CB 3.61Å; H256-A309 VanDerWaalsContact O-CB 3.29Å; H256-A309 WeakPolarHBondContact O-CB 3.21Å; K258-A309 HydrophobicContact CG-CB 4.31Å; A309-A312 PolarHBondContact O-N 3.21Å; A309-E313 PolarHBondContact O-N 3.42Å |
| 310 | E | 92.3 | Very high | 91 | Very high | 150 Ų | 150 | 45 Ų | 45 | 70% | 0.701 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -67 | -46 | 172.1 | -67.2 | 147.7 | -160 | 0 | 0 | 110.9 | T308 A312 E313 V314 | T308-E310 VanDerWaalsContact C-N 3.32Å; T308-E310 PolarHBondContact OG1-N 2.65Å; E310-A312 PolarHBondContact O-N 3.17Å; E310-E313 PolarHBondContact O-N 3.27Å; E310-V314 WeakPolarHBondContact O-CG2 3.43Å; E310-V314 PolarHBondContact O-N 3.1Å |
| 311 | M | 92.4 | Very high | 91.2 | Very high | 61 Ų | 61 | 40.7 Ų | 40.7 | 30% | 0.3 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -58.3 | -38.8 | 174.4 | -70.8 | 172.6 | 177.8 | 0 | 0 | 111.5 | H283 F306 A307 T308 A315 | H283-M311 HydrophobicContact CB-CB 4.26Å; H283-M311 HydrophobicContact CB-CG 4.3Å; F306-M311 HydrophobicContact CB-CB 3.93Å; F306-M311 HydrophobicContact CD1-CB 4.23Å; F306-M311 HydrophobicContact CG-CB 4.37Å; A307-M311 HydrophobicContact CB-SD 4.05Å; T308-M311 HydrophobicContact CG2-SD 4.35Å; T308-M311 WeakPolarHBondContact OG1-CG 3.21Å; T308-M311 PolarHBondContact OG1-N 2.79Å; T308-M311 VanDerWaalsContact OG1-N 3.14Å; M311-A315 VanDerWaalsContact O-CB 3.23Å; M311-A315 WeakPolarHBondContact O-CB 3.28Å; M311-A315 PolarHBondContact O-N 2.78Å |
| 312 | A | 93.3 | Very high | 91 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.3 | -35.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L260 F306 T308 A309 E310 Q316 | L260-A312 HydrophobicContact CD2-CB 4.2Å; L260-A312 HydrophobicContact CG-CB 4.34Å; F306-A312 HydrophobicContact CB-CB 4.22Å; F306-A312 HydrophobicContact CD2-CB 3.82Å; F306-A312 HydrophobicContact CG-CB 4.24Å; T308-A312 PolarHBondContact O-N 3.06Å; A309-A312 PolarHBondContact O-N 3.21Å; E310-A312 PolarHBondContact O-N 3.17Å; A312-Q316 VanDerWaalsContact O-CB 3.28Å; A312-Q316 WeakPolarHBondContact O-CB 3.35Å; A312-Q316 PolarHBondContact O-N 2.92Å |
| 313 | E | 92.4 | Very high | 90.7 | Very high | 27 Ų | 27 | 48.7 Ų | 48.7 | 13% | 0.126 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.4 | -44 | 175 | -176 | 167.7 | 146.2 | 0 | 0 | 111.9 | S203 S205 K210 A309 E310 Q316 R317 F333 | S203-E313 WeakPolarHBondContact CB-OE1 3.37Å; S203-E313 PolarHBondContact OG-OE1 3.29Å; S205-E313 PolarHBondContact OG-OE1 2.87Å; K210-E313 WeakPolarHBondContact CE-OE2 3.27Å; K210-E313 IonicContact NZ-OE2 3.18Å; K210-E313 PolarHBondContact NZ-OE2 3.36Å; A309-E313 PolarHBondContact O-N 3.42Å; E310-E313 PolarHBondContact O-N 3.27Å; E313-Q316 PolarHBondContact O-N 3Å; E313-R317 WeakPolarHBondContact O-CB 3.45Å; E313-R317 PolarHBondContact O-N 3.48Å; E313-F333 HydrophobicContact CB-CE1 4.4Å; E313-F333 HydrophobicContact CB-CZ 4.32Å; E313-F333 HydrophobicContact CG-CZ 4.38Å |
| 314 | V | 91.4 | Very high | 90.1 | Very high | 55 Ų | 55 | 49.8 Ų | 49.8 | 33% | 0.333 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.7 | -49.3 | 174 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | E310 Q316 R317 F318 | E310-V314 WeakPolarHBondContact O-CG2 3.43Å; E310-V314 PolarHBondContact O-N 3.1Å; V314-Q316 VanDerWaalsContact C-N 3.33Å; V314-Q316 PolarHBondContact O-N 2.9Å; V314-R317 PolarHBondContact O-N 3.04Å; V314-F318 HydrophobicContact CG1-CD2 3.82Å; V314-F318 HydrophobicContact CG1-CE2 4.03Å; V314-F318 WeakPolarHBondContact O-CD2 3.33Å; V314-F318 PolarHBondContact O-N 3.37Å |
| 315 | A | 91.3 | Very high | 89.2 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.008 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.9 | -32.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L260 F306 M311 G319 | L260-A315 HydrophobicContact CD1-CB 4.14Å; F306-A315 HydrophobicContact CD1-CB 4.45Å; F306-A315 HydrophobicContact CE1-CB 3.64Å; F306-A315 HydrophobicContact CE2-CB 4.06Å; F306-A315 HydrophobicContact CZ-CB 3.41Å; F306-A315 VanDerWaalsContact CZ-CB 3.41Å; M311-A315 VanDerWaalsContact O-CB 3.23Å; M311-A315 WeakPolarHBondContact O-CB 3.28Å; M311-A315 PolarHBondContact O-N 2.78Å; A315-G319 WeakPolarHBondContact O-CA 3.33Å; A315-G319 PolarHBondContact O-N 2.7Å |
| 316 | Q | 92 | Very high | 88.5 | Confident | 22 Ų | 22 | 53.4 Ų | 53.4 | 10% | 0.103 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.2 | -46 | 172.2 | -169.7 | -79.7 | -41.5 | 0 | 0 | 111.2 | L260 A312 E313 V314 F318 G319 D320 V331 F333 | L260-Q316 HydrophobicContact CD1-CB 3.97Å; L260-Q316 HydrophobicContact CD2-CB 3.95Å; L260-Q316 HydrophobicContact CD2-CG 4.32Å; A312-Q316 VanDerWaalsContact O-CB 3.28Å; A312-Q316 WeakPolarHBondContact O-CB 3.35Å; A312-Q316 PolarHBondContact O-N 2.92Å; E313-Q316 PolarHBondContact O-N 3Å; V314-Q316 VanDerWaalsContact C-N 3.33Å; V314-Q316 PolarHBondContact O-N 2.9Å; Q316-F318 PolarHBondContact O-N 3.48Å; Q316-G319 PolarHBondContact O-N 2.79Å; Q316-D320 WeakPolarHBondContact O-CB 3.49Å; Q316-D320 PolarHBondContact O-N 2.79Å; Q316-V331 HydrophobicContact CB-CG1 4.3Å; Q316-V331 HydrophobicContact CG-CB 4.35Å; Q316-V331 HydrophobicContact CG-CG1 4.02Å; Q316-V331 WeakPolarHBondContact CG-O 3.35Å; Q316-V331 PolarHBondContact NE2-O 2.9Å; Q316-F333 HydrophobicContact CB-CE1 4.12Å; Q316-F333 HydrophobicContact CB-CE2 4Å; Q316-F333 HydrophobicContact CB-CZ 3.67Å; Q316-F333 HydrophobicContact CG-CD2 4.03Å; Q316-F333 HydrophobicContact CG-CE1 4.45Å; Q316-F333 HydrophobicContact CG-CE2 3.57Å; Q316-F333 HydrophobicContact CG-CZ 3.81Å |
| 317 | R | 88.8 | Confident | 88.1 | Confident | 157 Ų | 157 | 55.1 Ų | 55.1 | 59% | 0.592 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -63 | -38.4 | -177.5 | -174.7 | 175.9 | -177.3 | 167.8 | 1.4 | 113.2 | E313 V314 | E313-R317 WeakPolarHBondContact O-CB 3.45Å; E313-R317 PolarHBondContact O-N 3.48Å; V314-R317 PolarHBondContact O-N 3.04Å |
| 318 | F | 87.2 | Confident | 87.9 | Confident | 122 Ų | 122 | 58.2 Ų | 58.2 | 54% | 0.535 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -91 | -19.4 | 176.9 | -72.9 | -69.1 | 0 | 0 | 0 | 114.2 | T282 V314 Q316 R322 | T282-F318 HydrophobicContact CG2-CB 3.77Å; T282-F318 HydrophobicContact CG2-CD2 4.32Å; T282-F318 HydrophobicContact CG2-CG 4.37Å; V314-F318 HydrophobicContact CG1-CD2 3.82Å; V314-F318 HydrophobicContact CG1-CE2 4.03Å; V314-F318 WeakPolarHBondContact O-CD2 3.33Å; V314-F318 PolarHBondContact O-N 3.37Å; Q316-F318 PolarHBondContact O-N 3.48Å; F318-R322 WeakPolarHBondContact O-CD 3.49Å; F318-R322 WeakPolarHBondContact O-CG 3.29Å; F318-R322 PolarHBondContact O-NE 2.58Å |
| 319 | G | 85.4 | Confident | 87.7 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -89.2 | -30 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | A315 Q316 R322 V331 | A315-G319 WeakPolarHBondContact O-CA 3.33Å; A315-G319 PolarHBondContact O-N 2.7Å; Q316-G319 PolarHBondContact O-N 2.79Å; G319-R322 WeakPolarHBondContact O-CB 3.48Å; G319-R322 PolarHBondContact O-N 2.63Å; G319-V331 VanDerWaalsContact C-CG2 3.43Å; G319-V331 WeakPolarHBondContact O-CG2 3.44Å |
| 320 | D | 89 | Confident | 87.6 | Confident | 41 Ų | 41 | 56 Ų | 56 | 22% | 0.219 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 134.3 | 178.5 | -165.4 | 54.6 | 0 | 0 | 0 | 111.6 | R178 Q316 R322 R330 V331 | R178-D320 IonicContact CZ-OD2 2.63Å; R178-D320 IonicContact NH1-OD1 3.05Å; R178-D320 IonicContact NH1-OD2 2.59Å; R178-D320 PolarHBondContact NH1-OD2 3Å; R178-D320 IonicContact NH2-OD2 3.48Å; R178-D320 PolarHBondContact NH2-OD2 3.25Å; Q316-D320 WeakPolarHBondContact O-CB 3.49Å; Q316-D320 PolarHBondContact O-N 2.79Å; D320-R322 VanDerWaalsContact C-N 3.25Å; D320-R322 PolarHBondContact O-N 2.83Å; D320-R330 VanDerWaalsContact OD1-CA 3.29Å; D320-R330 WeakPolarHBondContact OD1-CA 3.48Å; D320-V331 HydrophobicContact CB-CB 4.18Å; D320-V331 PolarHBondContact OD1-N 3.45Å |
| 321 | G | 86.1 | Confident | 87.6 | Confident | 38 Ų | 38 | 49 Ų | 49 | 39% | 0.392 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | -3.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | L323 H328 I329 | G321-L323 PolarHBondContact O-N 3.4Å; G321-H328 PolarHBondContact O-CD2 3.07Å; G321-H328 VanDerWaalsContact O-CD2 3.3Å; G321-I329 VanDerWaalsContact CA-O 3.31Å; G321-I329 WeakPolarHBondContact CA-O 3.46Å; G321-I329 PolarHBondContact N-O 3.19Å |
| 322 | R | 84.8 | Confident | 87.6 | Confident | 71 Ų | 71 | 46.6 Ų | 46.6 | 27% | 0.268 | 26% | 0.261 | S | S | . | . | trans | -59.9 | 138.8 | 178.8 | -78.4 | -167.7 | 170.5 | -133.6 | -12.9 | 112.1 | A278 D281 F318 G319 D320 L324 H328 I329 | A278-R322 PolarHBondContact O-NH1 2.95Å; D281-R322 IonicContact OD2-CZ 2.82Å; D281-R322 IonicContact OD2-NH1 3.87Å; D281-R322 PolarHBondContact OD2-NH1 2.88Å; D281-R322 IonicContact OD2-NH2 2.72Å; D281-R322 PolarHBondContact OD2-NH2 3.22Å; F318-R322 WeakPolarHBondContact O-CD 3.49Å; F318-R322 WeakPolarHBondContact O-CG 3.29Å; F318-R322 PolarHBondContact O-NE 2.58Å; G319-R322 WeakPolarHBondContact O-CB 3.48Å; G319-R322 PolarHBondContact O-N 2.63Å; D320-R322 VanDerWaalsContact C-N 3.25Å; D320-R322 PolarHBondContact O-N 2.83Å; R322-L324 PolarHBondContact O-N 3.25Å; R322-H328 WeakPolarHBondContact O-CA 3.25Å; R322-I329 HydrophobicContact CB-CD1 4.38Å; R322-I329 HydrophobicContact CB-CG1 4.06Å; R322-I329 VanDerWaalsContact O-CG1 3.26Å; R322-I329 WeakPolarHBondContact O-CG1 3.11Å; R322-I329 PolarHBondContact O-N 3.02Å | ||
| 323 | L | 84.3 | Confident | 87.7 | Confident | 113 Ų | 113 | 47.2 Ų | 47.2 | 59% | 0.592 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79 | 120.8 | 175.5 | -169.9 | 71.8 | 0 | 0 | 0 | 110.5 | G321 | G321-L323 PolarHBondContact O-N 3.4Å |
| 324 | L | 82 | Confident | 87.9 | Confident | 23 Ų | 23 | 46.2 Ų | 46.2 | 12% | 0.12 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 122 | 177.5 | -99.4 | 179.6 | 0 | 0 | 0 | 109.7 | L269 L275 A278 R322 G326 T327 I329 | L269-L324 HydrophobicContact CD1-CB 4.02Å; L269-L324 HydrophobicContact CD1-CD1 4Å; L269-L324 HydrophobicContact CD1-CD2 4.04Å; L269-L324 HydrophobicContact CD1-CG 4.26Å; L275-L324 HydrophobicContact CD1-CD1 4.02Å; A278-L324 HydrophobicContact CB-CD1 3.66Å; A278-L324 HydrophobicContact CB-CD2 3.69Å; A278-L324 HydrophobicContact CB-CG 3.87Å; R322-L324 PolarHBondContact O-N 3.25Å; L324-G326 PolarHBondContact O-N 3.14Å; L324-G326 VanDerWaalsContact O-N 3.14Å; L324-T327 PolarHBondContact N-O 2.95Å; L324-T327 PolarHBondContact O-N 3.26Å; L324-T327 PolarHBondContact O-OG1 3.4Å; L324-I329 HydrophobicContact CB-CG2 3.96Å; L324-I329 HydrophobicContact CD1-CD1 4.03Å; L324-I329 HydrophobicContact CD1-CG1 4.33Å; L324-I329 HydrophobicContact CD1-CG2 3.99Å |
| 325 | G | 73.9 | Confident | 88 | Confident | 55 Ų | 55 | 43.6 Ų | 43.6 | 57% | 0.567 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 28.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 326 | G | 79.9 | Confident | 88.1 | Confident | 64 Ų | 64 | 43.7 Ų | 43.7 | 66% | 0.66 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | -0.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L324 | L324-G326 PolarHBondContact O-N 3.14Å; L324-G326 VanDerWaalsContact O-N 3.14Å |
| 327 | T | 85.3 | Confident | 87.9 | Confident | 40 Ų | 40 | 46 Ų | 46 | 25% | 0.245 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 141.1 | 174.6 | 54.2 | 0 | 0 | 0 | 0 | 111.7 | P266 L324 I329 | P266-T327 HydrophobicContact CB-CG2 3.89Å; P266-T327 VanDerWaalsContact CB-OG1 3.3Å; P266-T327 WeakPolarHBondContact CB-OG1 3.21Å; P266-T327 WeakPolarHBondContact CD-OG1 3.43Å; P266-T327 WeakPolarHBondContact CG-OG1 3.47Å; L324-T327 PolarHBondContact N-O 2.95Å; L324-T327 PolarHBondContact O-N 3.26Å; L324-T327 PolarHBondContact O-OG1 3.4Å; T327-I329 PolarHBondContact O-N 3.45Å |
| 328 | H | 87.6 | Confident | 88.1 | Confident | 120 Ų | 120 | 39.5 Ų | 39.5 | 56% | 0.556 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 115.8 | 170.3 | -61.2 | 74.8 | 0 | 0 | 0 | 108 | G321 R322 | G321-H328 PolarHBondContact O-CD2 3.07Å; G321-H328 VanDerWaalsContact O-CD2 3.3Å; R322-H328 WeakPolarHBondContact O-CA 3.25Å |
| 329 | I | 89.6 | Confident | 88.4 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | trans | -75.1 | 151.6 | 175.4 | 56.1 | 151.7 | 0 | 0 | 0 | 110.6 | V262 L265 L275 G321 R322 L324 T327 V331 | V262-I329 HydrophobicContact CG1-CB 4.01Å; V262-I329 HydrophobicContact CG1-CD1 3.81Å; V262-I329 HydrophobicContact CG1-CG2 4.36Å; L265-I329 HydrophobicContact CD2-CG2 3.84Å; L275-I329 HydrophobicContact CD1-CD1 4.37Å; G321-I329 VanDerWaalsContact CA-O 3.31Å; G321-I329 WeakPolarHBondContact CA-O 3.46Å; G321-I329 PolarHBondContact N-O 3.19Å; R322-I329 HydrophobicContact CB-CD1 4.38Å; R322-I329 HydrophobicContact CB-CG1 4.06Å; R322-I329 VanDerWaalsContact O-CG1 3.26Å; R322-I329 WeakPolarHBondContact O-CG1 3.11Å; R322-I329 PolarHBondContact O-N 3.02Å; L324-I329 HydrophobicContact CB-CG2 3.96Å; L324-I329 HydrophobicContact CD1-CD1 4.03Å; L324-I329 HydrophobicContact CD1-CG1 4.33Å; L324-I329 HydrophobicContact CD1-CG2 3.99Å; T327-I329 PolarHBondContact O-N 3.45Å; I329-V331 HydrophobicContact CD1-CG2 3.87Å | ||
| 330 | R | 90 | Very high | 88.7 | Confident | 15 Ų | 15 | 36.9 Ų | 36.9 | 6% | 0.057 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 132.6 | 173.2 | 175.1 | 170.1 | 66.1 | 179.5 | 6.4 | 109.2 | D70 S237 V262 D263 D320 | D70-R330 IonicContact OD2-NH1 2.63Å; D70-R330 PolarHBondContact OD2-NH1 3.39Å; S237-R330 PolarHBondContact O-NH2 2.87Å; S237-R330 PolarHBondContact OG-NH1 2.9Å; V262-R330 CarbonylContact C-O 3.56Å; V262-R330 VanDerWaalsContact CA-O 3.31Å; V262-R330 WeakPolarHBondContact CA-O 3.32Å; D263-R330 PolarHBondContact N-O 2.78Å; D263-R330 PolarHBondContact O-N 3.31Å; D263-R330 VanDerWaalsContact O-N 3.09Å; D263-R330 VanDerWaalsContact OD1-CB 3.29Å; D263-R330 WeakPolarHBondContact OD1-CB 3.5Å; D263-R330 WeakPolarHBondContact OD1-CG 3.3Å; D263-R330 IonicContact OD1-CZ 3.95Å; D263-R330 IonicContact OD1-NE 3.67Å; D263-R330 PolarHBondContact OD1-NE 3.14Å; D263-R330 IonicContact OD1-NH2 3.01Å; D263-R330 IonicContact OD2-CZ 2.73Å; D263-R330 IonicContact OD2-NE 3.56Å; D263-R330 PolarHBondContact OD2-NE 2.77Å; D263-R330 IonicContact OD2-NH2 3.53Å; D263-R330 PolarHBondContact OD2-NH2 3.47Å; D320-R330 VanDerWaalsContact OD1-CA 3.29Å; D320-R330 WeakPolarHBondContact OD1-CA 3.48Å |
| 331 | V | 92.1 | Very high | 88.9 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 119.5 | -176.1 | -170.2 | 0 | 0 | 0 | 0 | 108.8 | L260 V262 Q316 G319 D320 I329 | L260-V331 HydrophobicContact CB-CG1 4.16Å; L260-V331 HydrophobicContact CD1-CG1 3.79Å; L260-V331 HydrophobicContact CG-CG1 4.46Å; V262-V331 HydrophobicContact CG1-CG2 4.32Å; V262-V331 HydrophobicContact CG2-CG1 4.23Å; V262-V331 HydrophobicContact CG2-CG2 4.12Å; Q316-V331 HydrophobicContact CB-CG1 4.3Å; Q316-V331 HydrophobicContact CG-CB 4.35Å; Q316-V331 HydrophobicContact CG-CG1 4.02Å; Q316-V331 WeakPolarHBondContact CG-O 3.35Å; Q316-V331 PolarHBondContact NE2-O 2.9Å; G319-V331 VanDerWaalsContact C-CG2 3.43Å; G319-V331 WeakPolarHBondContact O-CG2 3.44Å; D320-V331 HydrophobicContact CB-CB 4.18Å; D320-V331 PolarHBondContact OD1-N 3.45Å; I329-V331 HydrophobicContact CD1-CG2 3.87Å |
| 332 | S | 93.7 | Very high | 89.3 | Confident | 12 Ų | 12 | 45.2 Ų | 45.2 | 8% | 0.084 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 155.9 | -175 | 62.8 | 0 | 0 | 0 | 0 | 110.5 | L260 C261 | L260-S332 CarbonylContact C-O 3.52Å; L260-S332 VanDerWaalsContact CA-O 3.3Å; L260-S332 WeakPolarHBondContact CA-O 3.43Å; C261-S332 PolarHBondContact N-O 3.27Å; C261-S332 PolarHBondContact O-N 2.63Å; C261-S332 PolarHBondContact O-OG 3.3Å |
| 333 | F | 95.4 | Very high | 89.8 | Confident | 12 Ų | 12 | 41.9 Ų | 41.9 | 5% | 0.053 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 135.5 | 174.7 | -62.8 | -92.7 | 0 | 0 | 0 | 110.9 | K210 Y212 L260 E313 Q316 | K210-F333 HydrophobicContact CB-CD2 3.69Å; K210-F333 HydrophobicContact CB-CE2 3.96Å; K210-F333 HydrophobicContact CB-CG 4.17Å; K210-F333 HydrophobicContact CD-CE1 4.33Å; K210-F333 HydrophobicContact CD-CE2 4.33Å; K210-F333 HydrophobicContact CD-CZ 4.21Å; K210-F333 HydrophobicContact CG-CD2 4.23Å; K210-F333 HydrophobicContact CG-CE2 4Å; K210-F333 HydrophobicContact CG-CZ 4.33Å; K210-F333 VanDerWaalsContact O-CD2 3.26Å; K210-F333 WeakPolarHBondContact O-CD2 3.49Å; Y212-F333 HydrophobicContact CD1-CB 3.76Å; Y212-F333 HydrophobicContact CE1-CB 3.41Å; Y212-F333 VanDerWaalsContact CE1-CB 3.41Å; Y212-F333 AromaticContact CE1-CG 3.99Å; Y212-F333 HydrophobicContact CE1-CG 3.99Å; L260-F333 HydrophobicContact CD2-CD1 3.46Å; L260-F333 VanDerWaalsContact CD2-CD1 3.46Å; L260-F333 HydrophobicContact CD2-CE1 3.81Å; L260-F333 HydrophobicContact CD2-CG 4.02Å; E313-F333 HydrophobicContact CB-CE1 4.4Å; E313-F333 HydrophobicContact CB-CZ 4.32Å; E313-F333 HydrophobicContact CG-CZ 4.38Å; Q316-F333 HydrophobicContact CB-CE1 4.12Å; Q316-F333 HydrophobicContact CB-CE2 4Å; Q316-F333 HydrophobicContact CB-CZ 3.67Å; Q316-F333 HydrophobicContact CG-CD2 4.03Å; Q316-F333 HydrophobicContact CG-CE1 4.45Å; Q316-F333 HydrophobicContact CG-CE2 3.57Å; Q316-F333 HydrophobicContact CG-CZ 3.81Å |
| 334 | C | 95.3 | Very high | 90.2 | Very high | 7 Ų | 7 | 36.9 Ų | 36.9 | 5% | 0.047 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -73 | 160.2 | 167.8 | -66.5 | 0 | 0 | 0 | 0 | 110.8 | S257 C259 L260 M343 | S257-C334 WeakPolarHBondContact CB-O 3.42Å; S257-C334 PolarHBondContact OG-O 3.26Å; C259-C334 HydrophobicContact CB-CB 3.66Å; C259-C334 WeakPolarHBondContact O-CB 3.31Å; C259-C334 PolarHBondContact O-N 3.11Å; L260-C334 VanDerWaalsContact C-SG 3.5Å; C334-M343 HydrophobicContact CB-CE 4.12Å; C334-M343 HydrophobicContact CB-CG 3.72Å; C334-M343 HydrophobicContact CB-SD 3.89Å |
| 335 | A | 94.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 132.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | C172 A174 Y241 H243 M343 | C172-A335 HydrophobicContact CB-CB 4.19Å; A174-A335 HydrophobicContact CB-CB 4.07Å; Y241-A335 HydrophobicContact CD1-CB 4.25Å; Y241-A335 HydrophobicContact CE1-CB 4.1Å; H243-A335 HydrophobicContact CB-CB 4.43Å; A335-M343 HydrophobicContact CB-CE 4.26Å; A335-M343 WeakPolarHBondContact O-CE 3.42Å |
| 336 | P | 93 | Very high | 91.5 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.013 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -68.4 | 159.9 | 179 | 30.6 | -38.3 | 0 | 0 | 0 | 112.2 | Y212 F214 Q254 P338 | Y212-P336 HydrophobicContact CD2-CG 4.47Å; Y212-P336 HydrophobicContact CE2-CG 3.99Å; F214-P336 HydrophobicContact CE2-CG 4.12Å; F214-P336 HydrophobicContact CZ-CG 3.62Å; Q254-P336 WeakPolarHBondContact O-CB 3.39Å; P336-P338 VanDerWaalsContact C-CD 3.49Å; P336-P338 VanDerWaalsContact O-CD 3.25Å; P336-P338 WeakPolarHBondContact O-CD 3.27Å |
| 337 | G | 88.8 | Confident | 92.1 | Very high | 71 Ų | 71 | 35.6 Ų | 35.6 | 73% | 0.732 | 21% | 0.212 | S | C | * | . | S | Bend | trans | 113 | -72.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 338 | P | 91.9 | Very high | 92.3 | Very high | 21 Ų | 21 | 35.3 Ų | 35.3 | 14% | 0.136 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -69.4 | 141.9 | -177.3 | -17.8 | 31.1 | 0 | 0 | 0 | 113 | H243 P336 M343 | H243-P338 VanDerWaalsContact NE2-CG 3.31Å; H243-P338 WeakPolarHBondContact NE2-CG 3.44Å; P336-P338 VanDerWaalsContact C-CD 3.49Å; P336-P338 VanDerWaalsContact O-CD 3.25Å; P336-P338 WeakPolarHBondContact O-CD 3.27Å; P338-M343 HydrophobicContact CB-CE 4.05Å; P338-M343 HydrophobicContact CG-CE 3.86Å |
| 339 | P | 93.4 | Very high | 92.4 | Very high | 67 Ų | 67 | 32.2 Ų | 32.2 | 44% | 0.435 | 20% | 0.203 | S | C | . | . | trans | -69.8 | 162.6 | 172.5 | 30.6 | -36 | 0 | 0 | 0 | 111.6 | E305 R341 S342 M343 | E305-P339 WeakPolarHBondContact OE1-CA 3.29Å; E305-P339 WeakPolarHBondContact OE1-CB 3.34Å; P339-R341 VanDerWaalsContact C-N 3.31Å; P339-R341 PolarHBondContact O-N 3.07Å; P339-R341 VanDerWaalsContact O-N 3.15Å; P339-S342 WeakPolarHBondContact O-CA 3.31Å; P339-S342 WeakPolarHBondContact O-CB 3.44Å; P339-S342 PolarHBondContact O-N 2.63Å; P339-M343 PolarHBondContact O-N 3.31Å | ||
| 340 | G | 92.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.8 | -37.5 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E305 S342 M343 L344 | E305-G340 VanDerWaalsContact CD-N 3.32Å; E305-G340 PolarHBondContact OE2-N 3.49Å; G340-S342 PolarHBondContact O-N 3.45Å; G340-M343 PolarHBondContact O-N 2.89Å; G340-L344 VanDerWaalsContact O-CB 3.28Å; G340-L344 WeakPolarHBondContact O-CB 3.23Å; G340-L344 PolarHBondContact O-N 3.47Å |
| 341 | R | 93.5 | Very high | 92.1 | Very high | 192 Ų | 192 | 35.2 Ų | 35.2 | 73% | 0.725 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -61.4 | -42.2 | 173.6 | -71.7 | -175.7 | 178.7 | -146 | 0.8 | 112.9 | F287 P339 A345 | F287-R341 HydrophobicContact CD2-CG 3.87Å; F287-R341 HydrophobicContact CE1-CG 4.42Å; F287-R341 HydrophobicContact CE2-CG 3.4Å; F287-R341 HydrophobicContact CZ-CB 4.41Å; F287-R341 HydrophobicContact CZ-CG 3.7Å; P339-R341 VanDerWaalsContact C-N 3.31Å; P339-R341 PolarHBondContact O-N 3.07Å; P339-R341 VanDerWaalsContact O-N 3.15Å; R341-A345 PolarHBondContact O-N 3.17Å |
| 342 | S | 94.3 | Very high | 91.7 | Very high | 61 Ų | 61 | 37.4 Ų | 37.4 | 43% | 0.427 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -72.4 | -42.6 | 179 | -172.5 | 0 | 0 | 0 | 0 | 110.8 | P339 G340 L344 A345 A346 | P339-S342 WeakPolarHBondContact O-CA 3.31Å; P339-S342 WeakPolarHBondContact O-CB 3.44Å; P339-S342 PolarHBondContact O-N 2.63Å; G340-S342 PolarHBondContact O-N 3.45Å; S342-L344 PolarHBondContact O-N 3.34Å; S342-A345 PolarHBondContact O-N 3.08Å; S342-A346 WeakPolarHBondContact O-CB 3.18Å; S342-A346 PolarHBondContact O-N 3.03Å |
| 343 | M | 94.5 | Very high | 91 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.9 | -45 | 175.4 | -173.4 | 57.6 | 58.3 | 0 | 0 | 112.1 | Y241 V303 C334 A335 P338 P339 G340 A346 L347 | Y241-M343 HydrophobicContact CE1-CE 4.4Å; Y241-M343 HydrophobicContact CE1-SD 3.81Å; V303-M343 HydrophobicContact CG1-CB 4.31Å; V303-M343 HydrophobicContact CG1-CG 4.32Å; C334-M343 HydrophobicContact CB-CE 4.12Å; C334-M343 HydrophobicContact CB-CG 3.72Å; C334-M343 HydrophobicContact CB-SD 3.89Å; A335-M343 HydrophobicContact CB-CE 4.26Å; A335-M343 WeakPolarHBondContact O-CE 3.42Å; P338-M343 HydrophobicContact CB-CE 4.05Å; P338-M343 HydrophobicContact CG-CE 3.86Å; P339-M343 PolarHBondContact O-N 3.31Å; G340-M343 PolarHBondContact O-N 2.89Å; M343-A346 PolarHBondContact O-N 3.32Å; M343-L347 HydrophobicContact CG-CD1 3.92Å; M343-L347 HydrophobicContact CG-CG 4.4Å; M343-L347 WeakPolarHBondContact O-CB 3.18Å; M343-L347 VanDerWaalsContact O-CG 3.32Å; M343-L347 WeakPolarHBondContact O-CG 3.15Å; M343-L347 PolarHBondContact O-N 3.12Å; M343-L347 HydrophobicContact SD-CD1 4.14Å; M343-L347 HydrophobicContact SD-CG 4.13Å |
| 344 | L | 92.7 | Very high | 90.2 | Very high | 8 Ų | 8 | 41.1 Ų | 41.1 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.3 | -49.9 | 176.7 | -177.9 | 64.5 | 0 | 0 | 0 | 111.8 | F287 Q289 A291 F301 V303 G340 S342 A346 L347 I348 | F287-L344 HydrophobicContact CE1-CD2 4.47Å; F287-L344 HydrophobicContact CZ-CD2 4.07Å; Q289-L344 HydrophobicContact CB-CD2 3.89Å; Q289-L344 HydrophobicContact CG-CD2 3.68Å; A291-L344 HydrophobicContact CB-CD1 3.83Å; F301-L344 HydrophobicContact CE2-CD1 4.17Å; V303-L344 HydrophobicContact CB-CB 4.1Å; V303-L344 HydrophobicContact CB-CD1 4.04Å; V303-L344 HydrophobicContact CG2-CB 4.06Å; V303-L344 HydrophobicContact CG2-CD1 3.72Å; G340-L344 VanDerWaalsContact O-CB 3.28Å; G340-L344 WeakPolarHBondContact O-CB 3.23Å; G340-L344 PolarHBondContact O-N 3.47Å; S342-L344 PolarHBondContact O-N 3.34Å; L344-A346 VanDerWaalsContact C-N 3.34Å; L344-A346 PolarHBondContact O-N 2.7Å; L344-L347 PolarHBondContact O-N 3.01Å; L344-I348 HydrophobicContact CD1-CD1 4.07Å; L344-I348 HydrophobicContact CG-CD1 3.96Å; L344-I348 VanDerWaalsContact O-CG1 3.28Å; L344-I348 WeakPolarHBondContact O-CG1 3.37Å; L344-I348 PolarHBondContact O-N 2.88Å |
| 345 | A | 92.5 | Very high | 89.1 | Confident | 61 Ų | 61 | 45.4 Ų | 45.4 | 50% | 0.504 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | R341 S342 I348 A349 | R341-A345 PolarHBondContact O-N 3.17Å; S342-A345 PolarHBondContact O-N 3.08Å; A345-I348 PolarHBondContact O-N 2.81Å; A345-A349 WeakPolarHBondContact O-CB 3.45Å; A345-A349 PolarHBondContact O-N 3.48Å |
| 346 | A | 92.4 | Very high | 88 | Confident | 29 Ų | 29 | 49 Ų | 49 | 24% | 0.24 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.2 | -37.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y241 S342 M343 L344 A349 A350 | Y241-A346 WeakPolarHBondContact OH-CB 3.43Å; S342-A346 WeakPolarHBondContact O-CB 3.18Å; S342-A346 PolarHBondContact O-N 3.03Å; M343-A346 PolarHBondContact O-N 3.32Å; L344-A346 VanDerWaalsContact C-N 3.34Å; L344-A346 PolarHBondContact O-N 2.7Å; A346-A349 PolarHBondContact O-N 3.39Å; A346-A350 VanDerWaalsContact O-CB 3.29Å; A346-A350 WeakPolarHBondContact O-CB 3.34Å; A346-A350 PolarHBondContact O-N 3.11Å |
| 347 | L | 91.9 | Very high | 86.8 | Confident | 26 Ų | 26 | 54.4 Ų | 54.4 | 14% | 0.136 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.1 | -40.4 | 174.7 | -72.8 | 171 | 0 | 0 | 0 | 112.1 | Y241 F301 V303 M343 L344 A349 A350 Q351 | Y241-L347 HydrophobicContact CD1-CD2 4.09Å; Y241-L347 HydrophobicContact CD2-CD2 3.72Å; Y241-L347 HydrophobicContact CE1-CD2 4.47Å; Y241-L347 HydrophobicContact CE2-CD2 4.16Å; Y241-L347 HydrophobicContact CG-CD2 3.69Å; F301-L347 HydrophobicContact CE2-CB 3.71Å; F301-L347 HydrophobicContact CE2-CD1 4.2Å; F301-L347 HydrophobicContact CZ-CB 3.86Å; V303-L347 HydrophobicContact CG2-CD1 3.77Å; M343-L347 HydrophobicContact CG-CD1 3.92Å; M343-L347 HydrophobicContact CG-CG 4.4Å; M343-L347 WeakPolarHBondContact O-CB 3.18Å; M343-L347 VanDerWaalsContact O-CG 3.32Å; M343-L347 WeakPolarHBondContact O-CG 3.15Å; M343-L347 PolarHBondContact O-N 3.12Å; M343-L347 HydrophobicContact SD-CD1 4.14Å; M343-L347 HydrophobicContact SD-CG 4.13Å; L344-L347 PolarHBondContact O-N 3.01Å; L347-A349 VanDerWaalsContact C-N 3.33Å; L347-A349 PolarHBondContact O-N 3.07Å; L347-A350 PolarHBondContact O-N 2.74Å; L347-Q351 WeakPolarHBondContact O-CB 3.41Å; L347-Q351 PolarHBondContact O-N 3.2Å |
| 348 | I | 90.1 | Very high | 85.4 | Confident | 34 Ų | 34 | 55.3 Ų | 55.3 | 17% | 0.174 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 174.1 | -67.9 | 164.5 | 0 | 0 | 0 | 110.6 | A291 F301 L344 A345 T352 | A291-I348 HydrophobicContact CB-CD1 4.19Å; A291-I348 HydrophobicContact CB-CG1 4.07Å; F301-I348 HydrophobicContact CZ-CG1 3.84Å; L344-I348 HydrophobicContact CD1-CD1 4.07Å; L344-I348 HydrophobicContact CG-CD1 3.96Å; L344-I348 VanDerWaalsContact O-CG1 3.28Å; L344-I348 WeakPolarHBondContact O-CG1 3.37Å; L344-I348 PolarHBondContact O-N 2.88Å; A345-I348 PolarHBondContact O-N 2.81Å; I348-T352 WeakPolarHBondContact O-CB 3.31Å; I348-T352 PolarHBondContact O-N 2.57Å; I348-T352 PolarHBondContact O-OG1 3Å |
| 349 | A | 89.2 | Confident | 84 | Confident | 54 Ų | 54 | 58.9 Ų | 58.9 | 45% | 0.446 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.8 | -44 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A345 A346 L347 T352 T353 | A345-A349 WeakPolarHBondContact O-CB 3.45Å; A345-A349 PolarHBondContact O-N 3.48Å; A346-A349 PolarHBondContact O-N 3.39Å; L347-A349 VanDerWaalsContact C-N 3.33Å; L347-A349 PolarHBondContact O-N 3.07Å; A349-T352 PolarHBondContact O-N 3.14Å; A349-T353 WeakPolarHBondContact O-CB 3.48Å; A349-T353 WeakPolarHBondContact O-CG2 3.46Å; A349-T353 PolarHBondContact O-N 3.07Å; A349-T353 PolarHBondContact O-OG1 3.28Å |
| 350 | A | 88.1 | Confident | 82.1 | Confident | 13 Ų | 13 | 58.4 Ų | 58.4 | 11% | 0.107 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L231 Y241 A346 L347 T353 A354 | L231-A350 HydrophobicContact CD1-CB 3.97Å; Y241-A350 HydrophobicContact CD2-CB 3.83Å; Y241-A350 HydrophobicContact CE2-CB 3.99Å; A346-A350 VanDerWaalsContact O-CB 3.29Å; A346-A350 WeakPolarHBondContact O-CB 3.34Å; A346-A350 PolarHBondContact O-N 3.11Å; L347-A350 PolarHBondContact O-N 2.74Å; A350-T353 WeakPolarHBondContact CA-OG1 3.1Å; A350-T353 PolarHBondContact O-OG1 3.36Å; A350-T353 VanDerWaalsContact O-OG1 3.08Å; A350-A354 VanDerWaalsContact O-CB 3.27Å; A350-A354 WeakPolarHBondContact O-CB 3.31Å; A350-A354 PolarHBondContact O-N 3.3Å |
| 351 | Q | 85.4 | Confident | 80.4 | Confident | 68 Ų | 68 | 67.7 Ų | 67.7 | 32% | 0.318 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 176.6 | -168.8 | -165.5 | 50.8 | 0 | 0 | 111.4 | L347 A354 V355 | L347-Q351 WeakPolarHBondContact O-CB 3.41Å; L347-Q351 PolarHBondContact O-N 3.2Å; Q351-A354 PolarHBondContact O-N 3.07Å; Q351-V355 WeakPolarHBondContact O-CG2 3.21Å; Q351-V355 PolarHBondContact O-N 2.64Å |
| 352 | T | 82.8 | Confident | 78.6 | Confident | 46 Ų | 46 | 65.4 Ų | 65.4 | 28% | 0.282 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.7 | -43.3 | 178.3 | -55.1 | 0 | 0 | 0 | 0 | 111.9 | R299 I348 A349 N356 | R299-T352 VanDerWaalsContact CZ-OG1 3.27Å; R299-T352 PolarHBondContact NH1-OG1 2.59Å; R299-T352 PolarHBondContact NH2-OG1 3.1Å; I348-T352 WeakPolarHBondContact O-CB 3.31Å; I348-T352 PolarHBondContact O-N 2.57Å; I348-T352 PolarHBondContact O-OG1 3Å; A349-T352 PolarHBondContact O-N 3.14Å; T352-N356 WeakPolarHBondContact O-CB 3.47Å; T352-N356 PolarHBondContact O-N 3.49Å; T352-N356 PolarHBondContact O-ND2 3.29Å |
| 353 | T | 79.6 | Confident | 76.8 | Confident | 83 Ų | 83 | 67.6 Ų | 67.6 | 51% | 0.509 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.1 | -35 | 176 | 46 | 0 | 0 | 0 | 0 | 112.4 | A349 A350 N356 R357 | A349-T353 WeakPolarHBondContact O-CB 3.48Å; A349-T353 WeakPolarHBondContact O-CG2 3.46Å; A349-T353 PolarHBondContact O-N 3.07Å; A349-T353 PolarHBondContact O-OG1 3.28Å; A350-T353 WeakPolarHBondContact CA-OG1 3.1Å; A350-T353 PolarHBondContact O-OG1 3.36Å; A350-T353 VanDerWaalsContact O-OG1 3.08Å; T353-N356 PolarHBondContact O-N 3.37Å; T353-R357 PolarHBondContact O-N 2.97Å |
| 354 | A | 77.7 | Confident | 74.8 | Confident | 19 Ų | 19 | 72.2 Ų | 72.2 | 16% | 0.157 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -66 | -46 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | M239 A350 Q351 N356 R357 | M239-A354 HydrophobicContact CE-CB 4.25Å; A350-A354 VanDerWaalsContact O-CB 3.27Å; A350-A354 WeakPolarHBondContact O-CB 3.31Å; A350-A354 PolarHBondContact O-N 3.3Å; Q351-A354 PolarHBondContact O-N 3.07Å; A354-N356 PolarHBondContact O-N 3.07Å; A354-R357 WeakPolarHBondContact O-CB 3.27Å; A354-R357 PolarHBondContact O-N 3.05Å |
| 355 | V | 73.4 | Confident | 73 | Confident | 98 Ų | 98 | 75.2 Ų | 75.2 | 59% | 0.594 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63.8 | -28.8 | 177.6 | 170 | 0 | 0 | 0 | 0 | 112.4 | Q351 | Q351-V355 WeakPolarHBondContact O-CG2 3.21Å; Q351-V355 PolarHBondContact O-N 2.64Å |
| 356 | N | 70.9 | Confident | 71.8 | Confident | 75 Ų | 75 | 76.6 Ų | 76.6 | 40% | 0.401 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 7.5 | 178.2 | -66.7 | -19.1 | 0 | 0 | 0 | 114 | T352 T353 A354 G358 K359 | T352-N356 WeakPolarHBondContact O-CB 3.47Å; T352-N356 PolarHBondContact O-N 3.49Å; T352-N356 PolarHBondContact O-ND2 3.29Å; T353-N356 PolarHBondContact O-N 3.37Å; A354-N356 PolarHBondContact O-N 3.07Å; N356-G358 PolarHBondContact O-N 3.16Å; N356-K359 WeakPolarHBondContact O-CB 3.14Å; N356-K359 PolarHBondContact O-N 3.27Å; N356-K359 VanDerWaalsContact O-N 3.11Å |
| 357 | R | 66.9 | Low | 70.1 | Confident | 116 Ų | 116 | 79.2 Ų | 79.2 | 44% | 0.438 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 131 | 174 | -84.8 | -177.9 | 165.8 | 158.9 | -3.6 | 111.3 | S228 L231 G232 T353 A354 K359 | S228-R357 PolarHBondContact O-NH2 3.04Å; L231-R357 PolarHBondContact O-NH1 3.17Å; L231-R357 PolarHBondContact O-NH2 2.98Å; G232-R357 PolarHBondContact O-NH1 2.88Å; T353-R357 PolarHBondContact O-N 2.97Å; A354-R357 WeakPolarHBondContact O-CB 3.27Å; A354-R357 PolarHBondContact O-N 3.05Å; R357-K359 PolarHBondContact O-N 2.93Å |
| 358 | G | 59.7 | Low | 68.4 | Low | 90 Ų | 90 | 84.3 Ų | 84.3 | 93% | 0.928 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | -12 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | N356 | N356-G358 PolarHBondContact O-N 3.16Š|
| 359 | K | 62.4 | Low | 67.1 | Low | 96 Ų | 96 | 88.2 Ų | 88.2 | 42% | 0.417 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -80.2 | 158.5 | 162.9 | -56.9 | -169.1 | 174.1 | -168.3 | 0 | 109.6 | N356 R357 D364 | N356-K359 WeakPolarHBondContact O-CB 3.14Å; N356-K359 PolarHBondContact O-N 3.27Å; N356-K359 VanDerWaalsContact O-N 3.11Å; R357-K359 PolarHBondContact O-N 2.93Å; K359-D364 WeakPolarHBondContact CD-OD2 3.5Å; K359-D364 WeakPolarHBondContact CE-OD2 3.49Å; K359-D364 IonicContact NZ-OD2 3.17Å; K359-D364 PolarHBondContact NZ-OD2 3.23Å |
| 360 | G | 54.8 | Low | 65.9 | Low | 56 Ų | 56 | 89 Ų | 89 | 58% | 0.577 | 52% | 0.515 | S | S | * | . | trans | -66.6 | 168.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | L362 | G360-L362 PolarHBondContact O-N 2.86Š| ||
| 361 | L | 55.8 | Low | 64.6 | Low | 195 Ų | 195 | 92 Ų | 92 | 100% | 1.021 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -69.5 | -8.1 | 169.7 | -66.6 | 175 | 0 | 0 | 0 | 113.2 | ||
| 362 | L | 56.1 | Low | 63.5 | Low | 145 Ų | 145 | 93.5 Ų | 93.5 | 76% | 0.759 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -89.9 | 137 | 167.8 | -73.8 | 160.2 | 0 | 0 | 0 | 108.8 | G360 | G360-L362 PolarHBondContact O-N 2.86Š|
| 363 | P | 56.4 | Low | 62.4 | Low | 106 Ų | 106 | 94.5 Ų | 94.5 | 69% | 0.688 | 55% | 0.551 | S | S | * | * | trans | -59.8 | 145.2 | 169 | 28.5 | -34.5 | 0 | 0 | 0 | 109.7 | P365 | P363-P365 VanDerWaalsContact O-CD 3.3Å; P363-P365 WeakPolarHBondContact O-CD 3.4Å | ||
| 364 | D | 52.5 | Low | 61.4 | Low | 98 Ų | 98 | 91.5 Ų | 91.5 | 52% | 0.524 | 53% | 0.532 | S | S | . | . | trans | -53.5 | 115.3 | 173.7 | -66.4 | -31.2 | 0 | 0 | 0 | 108.6 | K359 T366 | K359-D364 WeakPolarHBondContact CD-OD2 3.5Å; K359-D364 WeakPolarHBondContact CE-OD2 3.49Å; K359-D364 IonicContact NZ-OD2 3.17Å; K359-D364 PolarHBondContact NZ-OD2 3.23Å; D364-T366 PolarHBondContact O-N 2.9Å | ||
| 365 | P | 55.2 | Low | 60.6 | Low | 72 Ų | 72 | 96.5 Ų | 96.5 | 47% | 0.468 | 56% | 0.556 | S | S | . | * | trans | -66.7 | 123 | -174.9 | 24.5 | -31.9 | 0 | 0 | 0 | 109 | P363 T367 Q369 I370 | P363-P365 VanDerWaalsContact O-CD 3.3Å; P363-P365 WeakPolarHBondContact O-CD 3.4Å; P365-T367 PolarHBondContact O-N 3.44Å; P365-Q369 HydrophobicContact CB-CB 4.41Å; P365-I370 HydrophobicContact CB-CG1 3.94Å; P365-I370 HydrophobicContact CG-CD1 4.1Å; P365-I370 HydrophobicContact CG-CG1 3.81Å; P365-I370 WeakPolarHBondContact O-CD1 3.4Å; P365-I370 WeakPolarHBondContact O-CG1 3.33Å | ||
| 366 | T | 65.9 | Low | 60.3 | Low | 90 Ų | 90 | 96 Ų | 96 | 55% | 0.552 | 55% | 0.55 | S | S | * | * | trans | -50.2 | 142.3 | 177.2 | -48.8 | 0 | 0 | 0 | 0 | 109.6 | D364 M368 Q369 I370 | D364-T366 PolarHBondContact O-N 2.9Å; T366-M368 CarbonylContact O-C 3.57Å; T366-M368 PolarHBondContact O-N 3.18Å; T366-Q369 WeakPolarHBondContact O-CA 3.4Å; T366-Q369 WeakPolarHBondContact O-CB 3.37Å; T366-Q369 PolarHBondContact O-N 3.01Å; T366-I370 PolarHBondContact O-N 3.29Å; T366-I370 VanDerWaalsContact O-N 3.1Å | ||
| 367 | T | 56.7 | Low | 59.9 | Low | 83 Ų | 83 | 96.5 Ų | 96.5 | 51% | 0.509 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -51.2 | -32.9 | -176 | -37.7 | 0 | 0 | 0 | 0 | 113.1 | P365 I370 L371 | P365-T367 PolarHBondContact O-N 3.44Å; T367-I370 PolarHBondContact O-N 2.85Å; T367-L371 HydrophobicContact CG2-CD1 4.4Å; T367-L371 WeakPolarHBondContact O-CB 3.49Å; T367-L371 WeakPolarHBondContact O-CG 3.35Å; T367-L371 PolarHBondContact O-N 2.8Å |
| 368 | M | 56.7 | Low | 59.7 | Low | 134 Ų | 134 | 93.9 Ų | 93.9 | 66% | 0.66 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.1 | -38.2 | 172.1 | -64.6 | -60.3 | -71.2 | 0 | 0 | 114.1 | T366 T372 | T366-M368 CarbonylContact O-C 3.57Å; T366-M368 PolarHBondContact O-N 3.18Å; M368-T372 VanDerWaalsContact O-CB 3.28Å; M368-T372 WeakPolarHBondContact O-CB 3.4Å; M368-T372 PolarHBondContact O-N 3.31Å; M368-T372 PolarHBondContact O-OG1 2.85Å |
| 369 | Q | 62 | Low | 59.8 | Low | 115 Ų | 115 | 91.1 Ų | 91.1 | 54% | 0.537 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71.8 | -35.1 | 174.7 | -66.4 | 178.4 | -15.8 | 0 | 0 | 111.6 | P365 T366 T372 S373 | P365-Q369 HydrophobicContact CB-CB 4.41Å; T366-Q369 WeakPolarHBondContact O-CA 3.4Å; T366-Q369 WeakPolarHBondContact O-CB 3.37Å; T366-Q369 PolarHBondContact O-N 3.01Å; Q369-T372 PolarHBondContact O-N 3.04Å; Q369-S373 WeakPolarHBondContact O-CB 3.16Å; Q369-S373 PolarHBondContact O-N 3.01Å; Q369-S373 PolarHBondContact O-OG 2.87Å |
| 370 | I | 64.2 | Low | 59.6 | Low | 72 Ų | 72 | 88.7 Ų | 88.7 | 37% | 0.369 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.2 | -52.3 | 170.5 | -55.6 | 177.7 | 0 | 0 | 0 | 109.6 | P365 T366 T367 T372 S373 L374 | P365-I370 HydrophobicContact CB-CG1 3.94Å; P365-I370 HydrophobicContact CG-CD1 4.1Å; P365-I370 HydrophobicContact CG-CG1 3.81Å; P365-I370 WeakPolarHBondContact O-CD1 3.4Å; P365-I370 WeakPolarHBondContact O-CG1 3.33Å; T366-I370 PolarHBondContact O-N 3.29Å; T366-I370 VanDerWaalsContact O-N 3.1Å; T367-I370 PolarHBondContact O-N 2.85Å; I370-T372 VanDerWaalsContact C-N 3.32Å; I370-T372 PolarHBondContact O-N 3.24Å; I370-S373 PolarHBondContact O-N 2.81Å; I370-S373 PolarHBondContact O-OG 2.86Å; I370-L374 HydrophobicContact CG2-CD1 4.09Å; I370-L374 HydrophobicContact CG2-CG 4.43Å; I370-L374 WeakPolarHBondContact O-CB 3.46Å; I370-L374 VanDerWaalsContact O-CG 3.3Å; I370-L374 WeakPolarHBondContact O-CG 3.23Å; I370-L374 PolarHBondContact O-N 3.27Å |
| 371 | L | 62.3 | Low | 59.7 | Low | 76 Ų | 76 | 93.6 Ų | 93.6 | 40% | 0.398 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.2 | -38.4 | 178.1 | -71.7 | 166.6 | 0 | 0 | 0 | 112.6 | T367 L374 N375 L410 | T367-L371 HydrophobicContact CG2-CD1 4.4Å; T367-L371 WeakPolarHBondContact O-CB 3.49Å; T367-L371 WeakPolarHBondContact O-CG 3.35Å; T367-L371 PolarHBondContact O-N 2.8Å; L371-L374 PolarHBondContact O-N 2.77Å; L371-N375 PolarHBondContact O-N 3.25Å; L371-L410 HydrophobicContact CD2-CD2 4.11Å |
| 372 | T | 62.2 | Low | 59.8 | Low | 99 Ų | 99 | 91.4 Ų | 91.4 | 61% | 0.607 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.4 | -38.2 | 176.6 | -56.5 | 0 | 0 | 0 | 0 | 112.1 | M368 Q369 I370 N375 | M368-T372 VanDerWaalsContact O-CB 3.28Å; M368-T372 WeakPolarHBondContact O-CB 3.4Å; M368-T372 PolarHBondContact O-N 3.31Å; M368-T372 PolarHBondContact O-OG1 2.85Å; Q369-T372 PolarHBondContact O-N 3.04Å; I370-T372 VanDerWaalsContact C-N 3.32Å; I370-T372 PolarHBondContact O-N 3.24Å; T372-N375 VanDerWaalsContact O-CB 3.25Å; T372-N375 WeakPolarHBondContact O-CB 3.34Å; T372-N375 PolarHBondContact O-N 2.82Å |
| 373 | S | 58.3 | Low | 59.8 | Low | 66 Ų | 66 | 89.3 Ų | 89.3 | 46% | 0.462 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -75 | -29.9 | 177.1 | 52.4 | 0 | 0 | 0 | 0 | 112.9 | Q369 I370 N375 N376 | Q369-S373 WeakPolarHBondContact O-CB 3.16Å; Q369-S373 PolarHBondContact O-N 3.01Å; Q369-S373 PolarHBondContact O-OG 2.87Å; I370-S373 PolarHBondContact O-N 2.81Å; I370-S373 PolarHBondContact O-OG 2.86Å; S373-N375 PolarHBondContact O-N 2.96Å; S373-N376 WeakPolarHBondContact O-CB 3.38Å; S373-N376 PolarHBondContact O-N 3.22Å; S373-N376 VanDerWaalsContact O-N 3.07Å |
| 374 | L | 58.8 | Low | 59.7 | Low | 20 Ų | 20 | 88.7 Ų | 88.7 | 11% | 0.105 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -64.6 | -17.8 | 168.1 | -71.6 | 174.2 | 0 | 0 | 0 | 113.4 | I370 L371 N376 L380 L383 L414 | I370-L374 HydrophobicContact CG2-CD1 4.09Å; I370-L374 HydrophobicContact CG2-CG 4.43Å; I370-L374 WeakPolarHBondContact O-CB 3.46Å; I370-L374 VanDerWaalsContact O-CG 3.3Å; I370-L374 WeakPolarHBondContact O-CG 3.23Å; I370-L374 PolarHBondContact O-N 3.27Å; L371-L374 PolarHBondContact O-N 2.77Å; L374-N376 PolarHBondContact O-N 2.95Å; L374-L380 HydrophobicContact CD2-CD2 3.87Å; L374-L380 HydrophobicContact CD2-CG 4.46Å; L374-L380 WeakPolarHBondContact O-CD1 3.4Å; L374-L380 WeakPolarHBondContact O-CG 3.36Å; L374-L383 HydrophobicContact CD2-CD1 3.69Å; L374-L414 HydrophobicContact CD1-CD1 4.47Å; L374-L414 HydrophobicContact CD1-CD2 4.22Å; L374-L414 HydrophobicContact CD1-CG 4.44Å; L374-L414 HydrophobicContact CD2-CD2 4.21Å |
| 375 | N | 60.6 | Low | 59.7 | Low | 125 Ų | 125 | 88.4 Ų | 88.4 | 67% | 0.668 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -6.1 | 171.9 | -156.7 | 22.8 | 0 | 0 | 0 | 112.9 | L371 T372 S373 | L371-N375 PolarHBondContact O-N 3.25Å; T372-N375 VanDerWaalsContact O-CB 3.25Å; T372-N375 WeakPolarHBondContact O-CB 3.34Å; T372-N375 PolarHBondContact O-N 2.82Å; S373-N375 PolarHBondContact O-N 2.96Å |
| 376 | N | 68.1 | Low | 59.1 | Low | 87 Ų | 87 | 90.6 Ų | 90.6 | 47% | 0.465 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -92.3 | 117.1 | 172.3 | -175.3 | -23.7 | 0 | 0 | 0 | 110.6 | S373 L374 A378 A379 L380 | S373-N376 WeakPolarHBondContact O-CB 3.38Å; S373-N376 PolarHBondContact O-N 3.22Å; S373-N376 VanDerWaalsContact O-N 3.07Å; L374-N376 PolarHBondContact O-N 2.95Å; N376-A378 PolarHBondContact O-N 3.17Å; N376-A378 VanDerWaalsContact O-N 3.12Å; N376-A378 WeakPolarHBondContact OD1-CB 3.37Å; N376-A378 PolarHBondContact OD1-N 2.85Å; N376-A379 HydrophobicContact CB-CB 4.25Å; N376-A379 PolarHBondContact O-N 2.95Å; N376-L380 PolarHBondContact O-N 2.8Å |
| 377 | P | 62.8 | Low | 58.1 | Low | 86 Ų | 86 | 92.9 Ų | 92.9 | 56% | 0.558 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.6 | -19.1 | -176.8 | 26.4 | -35 | 0 | 0 | 0 | 114.1 | K381 | P377-K381 WeakPolarHBondContact O-CG 2.96Å; P377-K381 PolarHBondContact O-N 3.05Å |
| 378 | A | 62.9 | Low | 57.5 | Low | 60 Ų | 60 | 92.6 Ų | 92.6 | 50% | 0.496 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -74.2 | -38.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | N376 K381 M382 | N376-A378 PolarHBondContact O-N 3.17Å; N376-A378 VanDerWaalsContact O-N 3.12Å; N376-A378 WeakPolarHBondContact OD1-CB 3.37Å; N376-A378 PolarHBondContact OD1-N 2.85Å; A378-K381 PolarHBondContact O-N 3.45Å; A378-M382 PolarHBondContact O-N 3.44Å; A378-M382 VanDerWaalsContact O-N 3.11Å |
| 379 | A | 60.3 | Low | 56.8 | Low | 33 Ų | 33 | 93.6 Ų | 93.6 | 27% | 0.273 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68 | -41.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | N376 K381 M382 L383 | N376-A379 HydrophobicContact CB-CB 4.25Å; N376-A379 PolarHBondContact O-N 2.95Å; A379-K381 VanDerWaalsContact C-N 3.34Å; A379-K381 PolarHBondContact O-N 2.92Å; A379-M382 PolarHBondContact O-N 2.94Å; A379-L383 PolarHBondContact O-N 2.84Å |
| 380 | L | 59.7 | Low | 56 | Low | 44 Ų | 44 | 91 Ų | 91 | 23% | 0.23 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -55.3 | -46.3 | 170.8 | -83.2 | 169.6 | 0 | 0 | 0 | 112 | L374 N376 M382 L383 L384 L414 L417 | L374-L380 HydrophobicContact CD2-CD2 3.87Å; L374-L380 HydrophobicContact CD2-CG 4.46Å; L374-L380 WeakPolarHBondContact O-CD1 3.4Å; L374-L380 WeakPolarHBondContact O-CG 3.36Å; N376-L380 PolarHBondContact O-N 2.8Å; L380-M382 PolarHBondContact O-N 3.13Å; L380-L383 PolarHBondContact O-N 3.11Å; L380-L384 VanDerWaalsContact O-CB 3.32Å; L380-L384 WeakPolarHBondContact O-CB 3.35Å; L380-L384 PolarHBondContact O-N 3.07Å; L380-L414 HydrophobicContact CD2-CD2 3.55Å; L380-L417 HydrophobicContact CD1-CD2 4.4Å |
| 381 | K | 55.5 | Low | 54.9 | Low | 159 Ų | 159 | 96 Ų | 96 | 69% | 0.691 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.1 | -37.2 | 177.9 | -78.6 | -177 | 176.5 | -174.4 | 0 | 113.1 | P377 A378 A379 N385 | P377-K381 WeakPolarHBondContact O-CG 2.96Å; P377-K381 PolarHBondContact O-N 3.05Å; A378-K381 PolarHBondContact O-N 3.45Å; A379-K381 VanDerWaalsContact C-N 3.34Å; A379-K381 PolarHBondContact O-N 2.92Å; K381-N385 WeakPolarHBondContact O-CB 3.36Å; K381-N385 PolarHBondContact O-N 3.3Å |
| 382 | M | 58.8 | Low | 53.9 | Low | 149 Ų | 149 | 102.3 Ų | 102.3 | 73% | 0.734 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.5 | -47.2 | 174.9 | -80.5 | -170.9 | 65.5 | 0 | 0 | 112.4 | A378 A379 L380 L384 N385 V386 | A378-M382 PolarHBondContact O-N 3.44Å; A378-M382 VanDerWaalsContact O-N 3.11Å; A379-M382 PolarHBondContact O-N 2.94Å; L380-M382 PolarHBondContact O-N 3.13Å; M382-L384 VanDerWaalsContact C-N 3.35Å; M382-L384 PolarHBondContact O-N 3.14Å; M382-N385 PolarHBondContact O-N 3.36Å; M382-V386 PolarHBondContact O-N 3.36Å |
| 383 | L | 56.1 | Low | 52.8 | Low | 102 Ų | 102 | 107.1 Ų | 107.1 | 53% | 0.534 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.4 | -41.4 | 176.8 | -84.4 | 163 | 0 | 0 | 0 | 112.1 | L374 A379 L380 N385 V386 L387 | L374-L383 HydrophobicContact CD2-CD1 3.69Å; A379-L383 PolarHBondContact O-N 2.84Å; L380-L383 PolarHBondContact O-N 3.11Å; L383-N385 VanDerWaalsContact C-N 3.32Å; L383-N385 PolarHBondContact O-N 3Å; L383-V386 PolarHBondContact O-N 3.36Å; L383-L387 PolarHBondContact O-N 2.97Å |
| 384 | L | 54.8 | Low | 51.8 | Low | 92 Ų | 92 | 107.3 Ų | 107.3 | 48% | 0.482 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.9 | -35.4 | 177.2 | -161.4 | 74 | 0 | 0 | 0 | 112 | L380 M382 V386 L387 S388 | L380-L384 VanDerWaalsContact O-CB 3.32Å; L380-L384 WeakPolarHBondContact O-CB 3.35Å; L380-L384 PolarHBondContact O-N 3.07Å; M382-L384 VanDerWaalsContact C-N 3.35Å; M382-L384 PolarHBondContact O-N 3.14Å; L384-V386 VanDerWaalsContact C-N 3.32Å; L384-V386 PolarHBondContact O-N 3.46Å; L384-L387 PolarHBondContact O-N 2.73Å; L384-S388 WeakPolarHBondContact O-CB 3.23Å; L384-S388 PolarHBondContact O-N 2.73Å; L384-S388 PolarHBondContact O-OG 3.27Å |
| 385 | N | 51.9 | Low | 51 | Low | 93 Ų | 93 | 114.7 Ų | 114.7 | 50% | 0.497 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -65.3 | -33.5 | 178.1 | -163.1 | 29.1 | 0 | 0 | 0 | 112.4 | K381 M382 L383 S388 Q389 | K381-N385 WeakPolarHBondContact O-CB 3.36Å; K381-N385 PolarHBondContact O-N 3.3Å; M382-N385 PolarHBondContact O-N 3.36Å; L383-N385 VanDerWaalsContact C-N 3.32Å; L383-N385 PolarHBondContact O-N 3Å; N385-S388 PolarHBondContact O-N 3.49Å; N385-Q389 PolarHBondContact O-N 3.33Å |
| 386 | V | 42.5 | Very low | 49.9 | Very low | 118 Ų | 118 | 117 Ų | 117 | 72% | 0.715 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -65.8 | -43.2 | 172.8 | 178.3 | 0 | 0 | 0 | 0 | 111 | M382 L383 L384 S388 | M382-V386 PolarHBondContact O-N 3.36Å; L383-V386 PolarHBondContact O-N 3.36Å; L384-V386 VanDerWaalsContact C-N 3.32Å; L384-V386 PolarHBondContact O-N 3.46Å; V386-S388 VanDerWaalsContact C-N 3.3Å; V386-S388 PolarHBondContact O-N 2.7Å |
| 387 | L | 45.6 | Very low | 48.4 | Very low | 138 Ų | 138 | 116.4 Ų | 116.4 | 72% | 0.723 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -66.6 | -29.8 | 174.4 | -66.3 | 168.8 | 0 | 0 | 0 | 112.7 | L383 L384 | L383-L387 PolarHBondContact O-N 2.97Å; L384-L387 PolarHBondContact O-N 2.73Å |
| 388 | S | 43.1 | Very low | 47.2 | Very low | 76 Ų | 76 | 117.2 Ų | 117.2 | 53% | 0.531 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -77.8 | -20.2 | -174.8 | -57.3 | 0 | 0 | 0 | 0 | 114.4 | L384 N385 V386 G390 | L384-S388 WeakPolarHBondContact O-CB 3.23Å; L384-S388 PolarHBondContact O-N 2.73Å; L384-S388 PolarHBondContact O-OG 3.27Å; N385-S388 PolarHBondContact O-N 3.49Å; V386-S388 VanDerWaalsContact C-N 3.3Å; V386-S388 PolarHBondContact O-N 2.7Å; S388-G390 VanDerWaalsContact C-N 3.25Å; S388-G390 PolarHBondContact O-N 3.09Å |
| 389 | Q | 43.3 | Very low | 45.7 | Very low | 156 Ų | 156 | 119 Ų | 119 | 73% | 0.729 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | 3.5 | -178.8 | -68.5 | -168.9 | 7.9 | 0 | 0 | 113.9 | N385 H391 | N385-Q389 PolarHBondContact O-N 3.33Å; Q389-H391 VanDerWaalsContact C-N 3.27Å; Q389-H391 PolarHBondContact O-N 3.01Å; Q389-H391 VanDerWaalsContact O-N 3.15Å |
| 390 | G | 45.2 | Very low | 44.5 | Very low | 60 Ų | 60 | 123.2 Ų | 123.2 | 62% | 0.619 | 71% | 0.71 | S | S | * | * | trans | -81.2 | 30.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | S388 | S388-G390 VanDerWaalsContact C-N 3.25Å; S388-G390 PolarHBondContact O-N 3.09Å | ||
| 391 | H | 41.2 | Very low | 43.4 | Very low | 176 Ų | 176 | 125.7 Ų | 125.7 | 82% | 0.815 | 74% | 0.737 | S | S | * | * | trans | -133.5 | 88.2 | 179.8 | -93.6 | 47.9 | 0 | 0 | 0 | 113.2 | Q389 | Q389-H391 VanDerWaalsContact C-N 3.27Å; Q389-H391 PolarHBondContact O-N 3.01Å; Q389-H391 VanDerWaalsContact O-N 3.15Å | ||
| 392 | K | 40.1 | Very low | 42.8 | Very low | 209 Ų | 209 | 124.7 Ų | 124.7 | 91% | 0.909 | 74% | 0.738 | S | S | * | * | trans | -130.3 | 120.2 | 149 | -72.4 | -170.8 | 177.5 | -177 | 0 | 107.2 | G394 | K392-G394 PolarHBondContact O-N 3.02Š| ||
| 393 | Q | 38.6 | Very low | 41.8 | Very low | 200 Ų | 200 | 123.6 Ų | 123.6 | 94% | 0.935 | 74% | 0.742 | S | S | * | * | trans | -71.2 | 120.7 | -173 | -69.5 | 168 | -55.8 | 0 | 0 | 110.8 | ||||
| 394 | G | 37.8 | Very low | 41 | Very low | 71 Ų | 71 | 125.2 Ų | 125.2 | 73% | 0.732 | 75% | 0.75 | S | S | * | * | trans | -88.2 | 127.5 | 166 | 0 | 0 | 0 | 0 | 0 | 110.1 | K392 L396 | K392-G394 PolarHBondContact O-N 3.02Å; G394-L396 PolarHBondContact O-N 3.48Å | ||
| 395 | L | 43 | Very low | 40.8 | Very low | 175 Ų | 175 | 125.5 Ų | 125.5 | 92% | 0.916 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -83.9 | 73.6 | -177.9 | -172.9 | 75.3 | 0 | 0 | 0 | 111.2 | ||
| 396 | L | 36.6 | Very low | 40.5 | Very low | 173 Ų | 173 | 127.5 Ų | 127.5 | 91% | 0.906 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 165.7 | 126.3 | 152.5 | -94.1 | 159.3 | 0 | 0 | 0 | 111.8 | G394 | G394-L396 PolarHBondContact O-N 3.48Š|
| 397 | G | 36.1 | Very low | 40.5 | Very low | 75 Ų | 75 | 125.6 Ų | 125.6 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 86.1 | 130 | 154.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 398 | A | 38.4 | Very low | 41.1 | Very low | 102 Ų | 102 | 123.7 Ų | 123.7 | 84% | 0.843 | 75% | 0.752 | S | S | * | * | trans | 29.4 | 117.3 | 159.7 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 399 | A | 30.8 | Very low | 41.5 | Very low | 99 Ų | 99 | 122.9 Ų | 122.9 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 139.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 400 | P | 36 | Very low | 41.9 | Very low | 121 Ų | 121 | 117.8 Ų | 117.8 | 79% | 0.786 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 142 | 171.6 | 30.6 | -34.3 | 0 | 0 | 0 | 110.9 | I402 | P400-I402 PolarHBondContact O-N 3.49Š|
| 401 | A | 35.2 | Very low | 42.4 | Very low | 96 Ų | 96 | 117.4 Ų | 117.4 | 79% | 0.793 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 132.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 402 | I | 44.6 | Very low | 43.2 | Very low | 138 Ų | 138 | 111.7 Ų | 111.7 | 71% | 0.708 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -63 | 133.1 | 175.2 | -61 | 173.8 | 0 | 0 | 0 | 108.7 | P400 L404 | P400-I402 PolarHBondContact O-N 3.49Å; I402-L404 PolarHBondContact O-N 2.91Å |
| 403 | P | 37.7 | Very low | 44 | Very low | 126 Ų | 126 | 104.1 Ų | 104.1 | 82% | 0.818 | 67% | 0.674 | S | S | * | * | trans | -70.2 | 82.5 | 167.2 | 30.6 | -34 | 0 | 0 | 0 | 109 | L405 | P403-L405 PolarHBondContact O-N 3.33Š| ||
| 404 | L | 38.9 | Very low | 45 | Very low | 136 Ų | 136 | 97.2 Ų | 97.2 | 71% | 0.712 | 64% | 0.644 | S | S | * | * | trans | -56.6 | 130.7 | 169.5 | -71.5 | 171.1 | 0 | 0 | 0 | 108.5 | I402 | I402-L404 PolarHBondContact O-N 2.91Š| ||
| 405 | L | 49.8 | Very low | 46.3 | Very low | 97 Ų | 97 | 99.7 Ų | 99.7 | 51% | 0.508 | 64% | 0.639 | S | S | . | * | trans | -51.4 | 133.9 | 164.3 | -74.2 | 162.4 | 0 | 0 | 0 | 107.8 | P403 N407 | P403-L405 PolarHBondContact O-N 3.33Å; L405-N407 PolarHBondContact O-N 3.45Å | ||
| 406 | P | 45.8 | Very low | 47.3 | Very low | 136 Ų | 136 | 97.5 Ų | 97.5 | 88% | 0.883 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -68 | 7.8 | -167.9 | 26.7 | -36.1 | 0 | 0 | 0 | 114.9 | ||
| 407 | N | 43.7 | Very low | 48.6 | Very low | 77 Ų | 77 | 91.6 Ų | 91.6 | 41% | 0.412 | 59% | 0.593 | S | S | . | * | trans | -130.8 | 111.6 | 171.7 | -176.6 | -15.8 | 0 | 0 | 0 | 109.6 | L405 A409 L410 | L405-N407 PolarHBondContact O-N 3.45Å; N407-A409 PolarHBondContact O-N 3.01Å; N407-A409 VanDerWaalsContact OD1-CB 3.26Å; N407-A409 WeakPolarHBondContact OD1-CB 3.41Å; N407-A409 PolarHBondContact OD1-N 2.77Å; N407-L410 HydrophobicContact CB-CD1 4.24Å; N407-L410 HydrophobicContact CB-CG 4.3Å; N407-L410 PolarHBondContact O-N 3.5Å; N407-L410 VanDerWaalsContact O-N 3.13Å | ||
| 408 | P | 57.4 | Low | 49.8 | Very low | 99 Ų | 99 | 92.2 Ų | 92.2 | 64% | 0.643 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.9 | -17.5 | -178.4 | 28 | -35.2 | 0 | 0 | 0 | 113.7 | L410 S411 A412 | P408-L410 PolarHBondContact O-N 2.95Å; P408-S411 PolarHBondContact O-N 2.92Å; P408-S411 PolarHBondContact O-OG 2.81Å; P408-A412 WeakPolarHBondContact O-CB 3.41Å; P408-A412 PolarHBondContact O-N 3.33Å; P408-A412 VanDerWaalsContact O-N 3.1Å |
| 409 | A | 50.6 | Low | 51 | Low | 58 Ų | 58 | 92.8 Ų | 92.8 | 48% | 0.479 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.5 | -29.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N407 A413 | N407-A409 PolarHBondContact O-N 3.01Å; N407-A409 VanDerWaalsContact OD1-CB 3.26Å; N407-A409 WeakPolarHBondContact OD1-CB 3.41Å; N407-A409 PolarHBondContact OD1-N 2.77Å; A409-A413 VanDerWaalsContact O-CB 3.26Å; A409-A413 WeakPolarHBondContact O-CB 3.42Å; A409-A413 PolarHBondContact O-N 2.78Å |
| 410 | L | 52.9 | Low | 52.2 | Low | 50 Ų | 50 | 93.8 Ų | 93.8 | 26% | 0.262 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -75.1 | -36.8 | 179 | -64.8 | 178 | 0 | 0 | 0 | 112.3 | L371 N407 P408 L414 | L371-L410 HydrophobicContact CD2-CD2 4.11Å; N407-L410 HydrophobicContact CB-CD1 4.24Å; N407-L410 HydrophobicContact CB-CG 4.3Å; N407-L410 PolarHBondContact O-N 3.5Å; N407-L410 VanDerWaalsContact O-N 3.13Å; P408-L410 PolarHBondContact O-N 2.95Å; L410-L414 WeakPolarHBondContact O-CB 3.46Å; L410-L414 PolarHBondContact O-N 2.76Å |
| 411 | S | 54.2 | Low | 53.2 | Low | 51 Ų | 51 | 91.7 Ų | 91.7 | 36% | 0.357 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -70.1 | -39.6 | 173.8 | 54.3 | 0 | 0 | 0 | 0 | 111.5 | P408 L414 L415 | P408-S411 PolarHBondContact O-N 2.92Å; P408-S411 PolarHBondContact O-OG 2.81Å; S411-L414 PolarHBondContact O-N 2.92Å; S411-L415 PolarHBondContact O-N 3.05Å |
| 412 | A | 58.4 | Low | 54.1 | Low | 56 Ų | 56 | 93.1 Ų | 93.1 | 46% | 0.463 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | P408 L414 L415 Q416 | P408-A412 WeakPolarHBondContact O-CB 3.41Å; P408-A412 PolarHBondContact O-N 3.33Å; P408-A412 VanDerWaalsContact O-N 3.1Å; A412-L414 PolarHBondContact O-N 2.78Å; A412-L415 PolarHBondContact O-N 3.45Å; A412-Q416 WeakPolarHBondContact O-CB 3.45Å; A412-Q416 PolarHBondContact O-N 3.05Å |
| 413 | A | 57.3 | Low | 54.4 | Low | 50 Ų | 50 | 89.2 Ų | 89.2 | 41% | 0.413 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.4 | -39.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A409 Q416 L417 | A409-A413 VanDerWaalsContact O-CB 3.26Å; A409-A413 WeakPolarHBondContact O-CB 3.42Å; A409-A413 PolarHBondContact O-N 2.78Å; A413-Q416 PolarHBondContact O-N 2.86Å; A413-L417 WeakPolarHBondContact O-CB 3.45Å; A413-L417 PolarHBondContact O-N 3.01Å |
| 414 | L | 60.8 | Low | 54.9 | Low | 56 Ų | 56 | 89.9 Ų | 89.9 | 29% | 0.293 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 173.1 | -92.7 | 162.2 | 0 | 0 | 0 | 112.3 | L374 L380 L410 S411 A412 L417 L418 | L374-L414 HydrophobicContact CD1-CD1 4.47Å; L374-L414 HydrophobicContact CD1-CD2 4.22Å; L374-L414 HydrophobicContact CD1-CG 4.44Å; L374-L414 HydrophobicContact CD2-CD2 4.21Å; L380-L414 HydrophobicContact CD2-CD2 3.55Å; L410-L414 WeakPolarHBondContact O-CB 3.46Å; L410-L414 PolarHBondContact O-N 2.76Å; S411-L414 PolarHBondContact O-N 2.92Å; A412-L414 PolarHBondContact O-N 2.78Å; L414-L417 PolarHBondContact O-N 3.11Å; L414-L418 WeakPolarHBondContact O-CB 3.06Å; L414-L418 PolarHBondContact O-N 2.98Å |
| 415 | L | 64 | Low | 55.3 | Low | 122 Ų | 122 | 86.6 Ų | 86.6 | 64% | 0.639 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.8 | -40.6 | 178 | -160.4 | 73.7 | 0 | 0 | 0 | 111.8 | S411 A412 L418 L419 | S411-L415 PolarHBondContact O-N 3.05Å; A412-L415 PolarHBondContact O-N 3.45Å; L415-L418 WeakPolarHBondContact O-CB 3.1Å; L415-L418 PolarHBondContact O-N 2.9Å; L415-L419 PolarHBondContact O-N 3.35Å; L415-L419 VanDerWaalsContact O-N 3.08Å |
| 416 | Q | 65.2 | Low | 55.2 | Low | 129 Ų | 129 | 89 Ų | 89 | 60% | 0.603 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.4 | -44 | 175.2 | -159.6 | 76.2 | 17.5 | 0 | 0 | 111.5 | A412 A413 L419 Q420 | A412-Q416 WeakPolarHBondContact O-CB 3.45Å; A412-Q416 PolarHBondContact O-N 3.05Å; A413-Q416 PolarHBondContact O-N 2.86Å; Q416-L419 PolarHBondContact O-N 3.35Å; Q416-Q420 WeakPolarHBondContact O-CB 3.49Å; Q416-Q420 PolarHBondContact O-N 3.38Å |
| 417 | L | 63.6 | Low | 55.3 | Low | 49 Ų | 49 | 89.7 Ų | 89.7 | 26% | 0.257 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70 | -30.8 | 179.7 | -171 | 65.3 | 0 | 0 | 0 | 112.6 | L380 A413 L414 N421 | L380-L417 HydrophobicContact CD1-CD2 4.4Å; A413-L417 WeakPolarHBondContact O-CB 3.45Å; A413-L417 PolarHBondContact O-N 3.01Å; L414-L417 PolarHBondContact O-N 3.11Å; L417-N421 PolarHBondContact O-N 2.56Å; L417-N421 VanDerWaalsContact O-N 3.16Å; L417-N421 PolarHBondContact O-ND2 2.96Å |
| 418 | L | 60.2 | Low | 55.3 | Low | 89 Ų | 89 | 94.1 Ų | 94.1 | 47% | 0.466 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.5 | -50.6 | 171.3 | -178.5 | 68.9 | 0 | 0 | 0 | 110.9 | L414 L415 Q420 N421 Q422 | L414-L418 WeakPolarHBondContact O-CB 3.06Å; L414-L418 PolarHBondContact O-N 2.98Å; L415-L418 WeakPolarHBondContact O-CB 3.1Å; L415-L418 PolarHBondContact O-N 2.9Å; L418-Q420 VanDerWaalsContact C-N 3.34Å; L418-Q420 PolarHBondContact O-N 3.37Å; L418-N421 PolarHBondContact O-N 3.24Å; L418-Q422 PolarHBondContact O-N 2.69Å; L418-Q422 VanDerWaalsContact O-N 3.16Å |
| 419 | L | 64.5 | Low | 54.8 | Low | 113 Ų | 113 | 92.4 Ų | 92.4 | 59% | 0.592 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.1 | -43.9 | 178.5 | -171.1 | 67.6 | 0 | 0 | 0 | 111.5 | L415 Q416 N421 Q422 A423 | L415-L419 PolarHBondContact O-N 3.35Å; L415-L419 VanDerWaalsContact O-N 3.08Å; Q416-L419 PolarHBondContact O-N 3.35Å; L419-N421 VanDerWaalsContact C-N 3.32Å; L419-N421 PolarHBondContact O-N 2.88Å; L419-Q422 PolarHBondContact O-N 2.81Å; L419-A423 PolarHBondContact O-N 2.85Å |
| 420 | Q | 55.5 | Low | 54.4 | Low | 121 Ų | 121 | 98.4 Ų | 98.4 | 57% | 0.565 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.9 | -26.7 | -179.5 | -162.8 | 172.6 | 26.6 | 0 | 0 | 113.4 | Q416 L418 | Q416-Q420 WeakPolarHBondContact O-CB 3.49Å; Q416-Q420 PolarHBondContact O-N 3.38Å; L418-Q420 VanDerWaalsContact C-N 3.34Å; L418-Q420 PolarHBondContact O-N 3.37Å |
| 421 | N | 56.4 | Low | 54.2 | Low | 77 Ų | 77 | 103.7 Ų | 103.7 | 41% | 0.412 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -77.6 | -34.7 | 172.6 | -86.5 | -67.9 | 0 | 0 | 0 | 113 | L417 L418 L419 K424 A425 | L417-N421 PolarHBondContact O-N 2.56Å; L417-N421 VanDerWaalsContact O-N 3.16Å; L417-N421 PolarHBondContact O-ND2 2.96Å; L418-N421 PolarHBondContact O-N 3.24Å; L419-N421 VanDerWaalsContact C-N 3.32Å; L419-N421 PolarHBondContact O-N 2.88Å; N421-K424 PolarHBondContact O-N 3.01Å; N421-A425 PolarHBondContact O-N 2.97Å |
| 422 | Q | 54.7 | Low | 53.5 | Low | 126 Ų | 126 | 104.1 Ų | 104.1 | 59% | 0.589 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.6 | -42.5 | 173.1 | -73.5 | -166.7 | -8.9 | 0 | 0 | 111.8 | L418 L419 K424 A425 Q426 | L418-Q422 PolarHBondContact O-N 2.69Å; L418-Q422 VanDerWaalsContact O-N 3.16Å; L419-Q422 PolarHBondContact O-N 2.81Å; Q422-K424 VanDerWaalsContact C-N 3.28Å; Q422-K424 PolarHBondContact O-N 2.79Å; Q422-A425 PolarHBondContact O-N 3.04Å; Q422-A425 VanDerWaalsContact O-N 3.12Å; Q422-Q426 PolarHBondContact O-N 3.32Å; Q422-Q426 VanDerWaalsContact O-N 3.11Å |
| 423 | A | 51.5 | Low | 52.8 | Low | 56 Ų | 56 | 108 Ų | 108 | 46% | 0.463 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -56.4 | -38.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L419 Q426 Q427 | L419-A423 PolarHBondContact O-N 2.85Å; A423-Q426 PolarHBondContact O-N 3.03Å; A423-Q427 PolarHBondContact O-N 3.39Å |
| 424 | K | 47.7 | Very low | 51.6 | Low | 140 Ų | 140 | 114.6 Ų | 114.6 | 61% | 0.609 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.3 | -38.4 | 176.8 | -74 | -175.9 | 175.9 | 179.9 | 0 | 113.1 | N421 Q422 Q426 | N421-K424 PolarHBondContact O-N 3.01Å; Q422-K424 VanDerWaalsContact C-N 3.28Å; Q422-K424 PolarHBondContact O-N 2.79Å; K424-Q426 VanDerWaalsContact C-N 3.31Å; K424-Q426 PolarHBondContact O-N 3.23Å |
| 425 | A | 47.8 | Very low | 50.7 | Low | 66 Ų | 66 | 119.8 Ų | 119.8 | 55% | 0.545 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -64.6 | -37.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N421 Q422 Q428 A429 | N421-A425 PolarHBondContact O-N 2.97Å; Q422-A425 PolarHBondContact O-N 3.04Å; Q422-A425 VanDerWaalsContact O-N 3.12Å; A425-Q428 PolarHBondContact O-N 3.43Å; A425-A429 PolarHBondContact O-N 3.05Å |
| 426 | Q | 48 | Very low | 49.6 | Very low | 148 Ų | 148 | 121 Ų | 121 | 69% | 0.692 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -71.2 | -30.9 | -178.2 | -162.1 | 167.5 | -5.6 | 0 | 0 | 113.2 | Q422 A423 K424 A429 | Q422-Q426 PolarHBondContact O-N 3.32Å; Q422-Q426 VanDerWaalsContact O-N 3.11Å; A423-Q426 PolarHBondContact O-N 3.03Å; K424-Q426 VanDerWaalsContact C-N 3.31Å; K424-Q426 PolarHBondContact O-N 3.23Å; Q426-A429 PolarHBondContact O-N 3.31Å |
| 427 | Q | 47.3 | Very low | 48.1 | Very low | 151 Ų | 151 | 126.4 Ų | 126.4 | 71% | 0.706 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -66.2 | -35.2 | 172.2 | -88.3 | -174.7 | -26.8 | 0 | 0 | 113.2 | A423 A429 F430 | A423-Q427 PolarHBondContact O-N 3.39Å; Q427-A429 VanDerWaalsContact C-N 3.3Å; Q427-A429 PolarHBondContact O-N 2.87Å; Q427-F430 PolarHBondContact O-N 2.86Å |
| 428 | Q | 44.4 | Very low | 46.6 | Very low | 169 Ų | 169 | 128.7 Ų | 128.7 | 79% | 0.79 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -70.2 | -25.3 | 177.2 | -106.6 | -179.7 | -24.9 | 0 | 0 | 113.3 | A425 | A425-Q428 PolarHBondContact O-N 3.43Å |
| 429 | A | 45.3 | Very low | 45.1 | Very low | 64 Ų | 64 | 133.2 Ų | 133.2 | 53% | 0.529 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -73 | -28.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A425 Q426 Q427 L431 G432 | A425-A429 PolarHBondContact O-N 3.05Å; Q426-A429 PolarHBondContact O-N 3.31Å; Q427-A429 VanDerWaalsContact C-N 3.3Å; Q427-A429 PolarHBondContact O-N 2.87Å; A429-L431 VanDerWaalsContact C-N 3.35Å; A429-L431 PolarHBondContact O-N 2.79Å; A429-G432 PolarHBondContact O-N 3.33Å |
| 430 | F | 42.8 | Very low | 43.5 | Very low | 183 Ų | 183 | 132.5 Ų | 132.5 | 80% | 0.803 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -72.8 | -23.8 | -171.5 | -160.9 | -101 | 0 | 0 | 0 | 114.1 | Q427 | Q427-F430 PolarHBondContact O-N 2.86Å |
| 431 | L | 48.7 | Very low | 42.1 | Very low | 161 Ų | 161 | 130.1 Ų | 130.1 | 84% | 0.843 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -7.7 | 178 | -67.5 | 173.1 | 0 | 0 | 0 | 114 | A429 | A429-L431 VanDerWaalsContact C-N 3.35Å; A429-L431 PolarHBondContact O-N 2.79Å |
| 432 | G | 39.9 | Very low | 40.9 | Very low | 60 Ų | 60 | 134.7 Ų | 134.7 | 62% | 0.619 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -21.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | A429 | A429-G432 PolarHBondContact O-N 3.33Š|
| 433 | N | 43.6 | Very low | 39.6 | Very low | 137 Ų | 137 | 136.2 Ų | 136.2 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | trans | -109.4 | 7.8 | -157 | -93 | 19.2 | 0 | 0 | 0 | 117 | L435 | N433-L435 VanDerWaalsContact C-N 3.28Å; N433-L435 PolarHBondContact O-N 3.48Å; N433-L435 VanDerWaalsContact O-N 3.09Å | ||
| 434 | H | 32.7 | Very low | 38.3 | Very low | 190 Ų | 190 | 136.4 Ų | 136.4 | 88% | 0.88 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | 30.5 | -171.3 | -156.4 | -70.7 | 0 | 0 | 0 | 115.2 | ||
| 435 | L | 41.7 | Very low | 37.3 | Very low | 164 Ų | 164 | 137.5 Ų | 137.5 | 86% | 0.859 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.9 | -2.7 | -172.5 | -88.7 | 175 | 0 | 0 | 0 | 118.2 | N433 | N433-L435 VanDerWaalsContact C-N 3.28Å; N433-L435 PolarHBondContact O-N 3.48Å; N433-L435 VanDerWaalsContact O-N 3.09Å |
| 436 | L | 40.3 | Very low | 36.4 | Very low | 148 Ų | 148 | 141 Ų | 141 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -129.6 | 1.5 | -166 | -83.4 | 171.5 | 0 | 0 | 0 | 119.1 | ||
| 437 | W | 33.9 | Very low | 36.2 | Very low | 242 Ų | 242 | 138.7 Ų | 138.7 | 92% | 0.917 | 77% | 0.774 | S | S | * | * | trans | -133.1 | 82 | 171.7 | -84.8 | -73.1 | 0 | 0 | 0 | 113.3 | ||||
| 438 | A | 32 | Very low | 35.2 | Very low | 97 Ų | 97 | 139.4 Ų | 139.4 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | -137.6 | 55 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 439 | Q | 28.4 | Very low | 34.3 | Very low | 185 Ų | 185 | 136 Ų | 136 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | trans | -151.1 | 137.6 | 172.2 | -154.3 | 81.8 | 44.7 | 0 | 0 | 111.2 | ||||
| 440 | A | 31.6 | Very low | 33.3 | Very low | 98 Ų | 98 | 137.2 Ų | 137.2 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | 68.5 | 113.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 441 | G | 26 | Very low | 33 | Very low | 71 Ų | 71 | 136.9 Ų | 136.9 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | trans | -84.6 | -160.8 | 148.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 442 | L | 30.1 | Very low | 32.2 | Very low | 173 Ų | 173 | 134.2 Ų | 134.2 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | cis | -136.8 | -171.7 | 11.3 | -68.1 | 145.8 | 0 | 0 | 0 | 107.4 | ||||
| 443 | I | 27.8 | Very low | 31.5 | Very low | 157 Ų | 157 | 138.1 Ų | 138.1 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | cis | -157.3 | 145.9 | 30.2 | -63.5 | 171.3 | 0 | 0 | 0 | 109.1 | ||||
| 444 | G | 24.9 | Very low | 31.2 | Very low | 61 Ų | 61 | 140.1 Ų | 140.1 | 63% | 0.629 | 81% | 0.808 | S | S | * | * | trans | 73.2 | 148.5 | 151.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 445 | D | 26.3 | Very low | 31 | Very low | 163 Ų | 163 | 140.7 Ų | 140.7 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | cis | -153.8 | 172 | -9 | -106.6 | -51 | 0 | 0 | 0 | 112.3 | ||||
| 446 | N | 29.1 | Very low | 30.2 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | trans | -73.9 | 179.3 | -178.6 | -129.1 | -0.7 | 0 | 0 | 0 | 112.5 | ||||
| 447 | P | 44.1 | Very low | 29.6 | Very low | 100 Ų | 100 | 135.4 Ų | 135.4 | 65% | 0.649 | 80% | 0.804 | S | S | * | * | cis | -139.8 | 167 | -5.3 | 40.7 | -21.8 | 0 | 0 | 0 | 118.2 | ||||
| 448 | L | 25.1 | Very low | 29.1 | Very low | 166 Ų | 166 | 131.3 Ų | 131.3 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | 33.6 | 112.5 | 140.6 | -60.9 | 169.2 | 0 | 0 | 0 | 122.1 | ||||
| 449 | A | 25.9 | Very low | 28.7 | Very low | 97 Ų | 97 | 133.3 Ų | 133.3 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | -153.8 | 108.5 | 139.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 450 | A | 24.8 | Very low | 28.5 | Very low | 91 Ų | 91 | 132.1 Ų | 132.1 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | 71.3 | 98.1 | 90.6 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 451 | L | 35.4 | Very low | 28.1 | Very low | 176 Ų | 176 | 130.7 Ų | 130.7 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | trans | -66 | 137.4 | 142 | -72.7 | 168.5 | 0 | 0 | 0 | 107.1 | ||||
| 452 | P | 32.5 | Very low | 28 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | -151.4 | 151.9 | 106.9 | 37.3 | -20.5 | 0 | 0 | 0 | 117 | |||||
| 453 | V | 24.2 | Very low | 27.8 | Very low | 142 Ų | 142 | 136 Ų | 136 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | 67.5 | 129.2 | 135.2 | 173.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 454 | Q | 38.7 | Very low | 28.5 | Very low | 179 Ų | 179 | 133.5 Ų | 133.5 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | trans | -67.4 | 157.2 | 171.4 | -56.8 | 156.8 | -54.9 | 0 | 0 | 113.4 | ||||
| 455 | Q | 27.8 | Very low | 28.7 | Very low | 202 Ų | 202 | 139.7 Ų | 139.7 | 94% | 0.944 | 80% | 0.796 | S | S | * | * | trans | -123 | 139.7 | 143.3 | -65.1 | 172.6 | -19.7 | 0 | 0 | 106.4 | ||||
| 456 | G | 25.6 | Very low | 28.7 | Very low | 63 Ų | 63 | 135.5 Ų | 135.5 | 65% | 0.649 | 79% | 0.791 | S | S | * | * | cis | 145.5 | 158.8 | -2.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 457 | V | 26.4 | Very low | 28.4 | Very low | 138 Ų | 138 | 132.6 Ų | 132.6 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | 76 | 130.6 | 164.4 | -169.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 458 | H | 24.1 | Very low | 27.5 | Very low | 156 Ų | 156 | 134.6 Ų | 134.6 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | cis | -170.1 | 168.1 | -27.1 | -115.5 | -74.9 | 0 | 0 | 0 | 109.1 | ||||
| 459 | L | 24.6 | Very low | 27.5 | Very low | 138 Ų | 138 | 132.8 Ų | 132.8 | 72% | 0.723 | 80% | 0.8 | S | S | * | * | trans | 49.4 | 118.8 | 149.4 | -67.7 | 157.5 | 0 | 0 | 0 | 119.3 | ||||
| 460 | L | 22.9 | Very low | 28.1 | Very low | 161 Ų | 161 | 133.8 Ų | 133.8 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | 75.8 | 119.6 | 71.7 | -171.5 | 154.9 | 0 | 0 | 0 | 113.9 | |||||
| 461 | G | 24.6 | Very low | 28.1 | Very low | 68 Ų | 68 | 132.4 Ų | 132.4 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | trans | 176.1 | 65.3 | -180 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 462 | E | 23.1 | Very low | 27.5 | Very low | 196 Ų | 196 | 132.7 Ų | 132.7 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | trans | 62.3 | 166.8 | 150.5 | -58.5 | -128.2 | 103 | 0 | 0 | 123.8 | ||||
| 463 | L | 25.9 | Very low | 27 | Very low | 158 Ų | 158 | 131.3 Ų | 131.3 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | trans | -105.3 | -173.4 | 176.3 | -128.3 | 69.1 | 0 | 0 | 0 | 108.7 | ||||
| 464 | P | 43.2 | Very low | 27 | Very low | 106 Ų | 106 | 131.9 Ų | 131.9 | 69% | 0.688 | 79% | 0.789 | S | S | * | * | cis | -124.2 | -161.7 | -14.9 | 34.3 | -11.5 | 0 | 0 | 0 | 111 | ||||
| 465 | Q | 28.1 | Very low | 26.2 | Very low | 191 Ų | 191 | 131 Ų | 131 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | cis | -141 | 171.3 | 9.4 | -57.5 | -179.8 | 28.2 | 0 | 0 | 108.9 | ||||
| 466 | G | 26.4 | Very low | 25.9 | Very low | 74 Ų | 74 | 126.1 Ų | 126.1 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | cis | 165 | 126.2 | -10.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 467 | G | 23.7 | Very low | 25.7 | Very low | 77 Ų | 77 | 132.2 Ų | 132.2 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | 85.2 | 143.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 468 | V | 25.4 | Very low | 25.5 | Very low | 142 Ų | 142 | 129.8 Ų | 129.8 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | cis | -141.2 | 154.8 | -4.7 | -179.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 469 | V | 25.1 | Very low | 25.5 | Very low | 128 Ų | 128 | 129.1 Ų | 129.1 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -131.3 | 158.9 | -171.4 | 171.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 470 | P | 37.3 | Very low | 26.3 | Very low | 119 Ų | 119 | 128.1 Ų | 128.1 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | cis | -117.8 | -169 | 0.5 | 20.7 | 5 | 0 | 0 | 0 | 112.5 | ||||
| 471 | G | 24.5 | Very low | 26.3 | Very low | 61 Ų | 61 | 126 Ų | 126 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | cis | 117.7 | 124.4 | -4.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 472 | L | 23.1 | Very low | 26.3 | Very low | 182 Ų | 182 | 129.9 Ų | 129.9 | 95% | 0.953 | 79% | 0.786 | S | S | * | * | trans | 66.5 | 160.5 | 168.8 | -54.4 | 172.5 | 0 | 0 | 0 | 117.1 | ||||
| 473 | A | 21.7 | Very low | 26.4 | Very low | 76 Ų | 76 | 129.3 Ų | 129.3 | 63% | 0.628 | 78% | 0.78 | S | S | * | * | cis | -169.4 | 159.8 | -34.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 474 | L | 24.5 | Very low | 27.1 | Very low | 154 Ų | 154 | 127.8 Ų | 127.8 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | trans | 64.6 | 133 | 157.1 | -97.8 | 72.3 | 0 | 0 | 0 | 121.6 | ||||
| 475 | Q | 21.8 | Very low | 26.4 | Very low | 160 Ų | 160 | 126 Ų | 126 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | 76 | 114.2 | 142.4 | -67.6 | -140.6 | 77.2 | 0 | 0 | 123.8 | ||||
| 476 | T | 23 | Very low | 26.4 | Very low | 101 Ų | 101 | 121.9 Ų | 121.9 | 62% | 0.62 | 77% | 0.773 | S | S | * | * | 75.5 | 116.7 | 113.7 | -46.7 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 477 | E | 20.4 | Very low | 26.6 | Very low | 190 Ų | 190 | 127.1 Ų | 127.1 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | trans | 77.3 | 151.8 | 153.7 | -80 | -165.9 | 114.2 | 0 | 0 | 124.5 | ||||
| 478 | A | 21.8 | Very low | 26.7 | Very low | 87 Ų | 87 | 127 Ų | 127 | 72% | 0.719 | 78% | 0.782 | S | S | * | * | trans | 91.8 | 82.5 | 144.4 | 0 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 479 | V | 25 | Very low | 26.9 | Very low | 142 Ų | 142 | 132.8 Ų | 132.8 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | trans | 65.8 | -168.6 | 130.8 | -134.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 480 | P | 41 | Very low | 27 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | -124.5 | -178.5 | -119 | 44.7 | -28.3 | 0 | 0 | 0 | 118.3 | |||||
| 481 | S | 23.4 | Very low | 26.6 | Very low | 116 Ų | 116 | 132.3 Ų | 132.3 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | -165.2 | 166.2 | 144.8 | -149.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 482 | L | 23.9 | Very low | 26.6 | Very low | 150 Ų | 150 | 136.8 Ų | 136.8 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -55.4 | 151.7 | -169.7 | -63.3 | 155 | 0 | 0 | 0 | 119.5 | ||||
| 483 | K | 24.8 | Very low | 26.8 | Very low | 185 Ų | 185 | 137 Ų | 137 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | 66.5 | 162.5 | 63.9 | -95 | -168.6 | -177.8 | -178.8 | 0 | 116.4 | |||||
| 484 | P | 42 | Very low | 26.9 | Very low | 125 Ų | 125 | 139 Ų | 139 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | cis | -105 | -139.7 | 10.3 | 45.1 | -36.9 | 0 | 0 | 0 | 113.2 | ||||
| 485 | G | 26.9 | Very low | 27 | Very low | 68 Ų | 68 | 138.8 Ų | 138.8 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | cis | 163.6 | 171.2 | -2.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 486 | S | 29.8 | Very low | 27.1 | Very low | 106 Ų | 106 | 138 Ų | 138 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | cis | 178.1 | 143.3 | -26.3 | 48.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 487 | L | 30 | Very low | 27.3 | Very low | 183 Ų | 183 | 137.7 Ų | 137.7 | 96% | 0.958 | 78% | 0.778 | S | S | * | * | trans | 74.8 | 157.2 | 166.9 | -59.2 | 162.9 | 0 | 0 | 0 | 118.2 | ||||
| 488 | G | 25.6 | Very low | 28.5 | Very low | 76 Ų | 76 | 133.9 Ų | 133.9 | 78% | 0.784 | 77% | 0.77 | S | S | * | * | cis | -153 | -147.7 | 11.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 489 | R | 28.6 | Very low | 28.8 | Very low | 263 Ų | 263 | 135.2 Ų | 135.2 | 99% | 0.992 | 77% | 0.769 | S | S | * | * | trans | -143.9 | 148.4 | -153.2 | -171.6 | -166.5 | -160.7 | -152.3 | 9.5 | 115 | ||||
| 490 | G | 27.1 | Very low | 29 | Very low | 67 Ų | 67 | 133.2 Ų | 133.2 | 69% | 0.691 | 76% | 0.761 | S | S | * | * | trans | 150.9 | 106.9 | 149.4 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 491 | L | 29.1 | Very low | 28.4 | Very low | 169 Ų | 169 | 134 Ų | 134 | 89% | 0.885 | 76% | 0.764 | S | S | * | * | 67.1 | 127.3 | 124.4 | -72.4 | 168 | 0 | 0 | 0 | 127.7 | |||||
| 492 | M | 24.7 | Very low | 28.5 | Very low | 156 Ų | 156 | 134.6 Ų | 134.6 | 77% | 0.768 | 77% | 0.767 | S | S | * | * | trans | 71.3 | 153.7 | 138.3 | -114.9 | -175.5 | 169.1 | 0 | 0 | 120.9 | ||||
| 493 | R | 27.2 | Very low | 28.5 | Very low | 186 Ų | 186 | 130.7 Ų | 130.7 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | cis | -164.1 | 139.4 | 17 | -174.6 | 171.7 | 179.9 | -166.5 | -5.5 | 116.2 | ||||
| 494 | E | 24.2 | Very low | 28.7 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 55% | 0.547 | 77% | 0.767 | S | S | . | * | trans | 42.1 | 153.5 | 150.1 | -66.5 | -172.2 | 85.1 | 0 | 0 | 128.7 | ||||
| 495 | Q | 27 | Very low | 29.2 | Very low | 150 Ų | 150 | 130 Ų | 130 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | trans | 71.8 | 141.6 | 148.7 | -77 | 160.8 | 34.1 | 0 | 0 | 119.6 | ||||
| 496 | D | 23.6 | Very low | 29.3 | Very low | 143 Ų | 143 | 134.6 Ų | 134.6 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | cis | -148.6 | -179.3 | -5.9 | -141.5 | -38.8 | 0 | 0 | 0 | 111.8 | ||||
| 497 | S | 27.8 | Very low | 29.7 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | trans | -125.5 | 177.2 | -168.2 | 75.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 498 | P | 45.5 | Very low | 30.1 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | cis | -122.8 | -147.8 | 16.8 | 33 | -7.5 | 0 | 0 | 0 | 112 | ||||
| 499 | T | 28.3 | Very low | 30.4 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | cis | -159.1 | 129.5 | 13.6 | -16.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 500 | S | 29.6 | Very low | 31.6 | Very low | 100 Ų | 100 | 127.6 Ų | 127.6 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | trans | 49.8 | 149.8 | 136.5 | 73.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 501 | V | 26.5 | Very low | 31.6 | Very low | 135 Ų | 135 | 130.3 Ų | 130.3 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | cis | -110.9 | -139.3 | 10.7 | -168.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 502 | C | 27.3 | Very low | 31.8 | Very low | 127 Ų | 127 | 130.3 Ų | 130.3 | 86% | 0.858 | 75% | 0.752 | S | S | * | * | trans | -146.8 | 166.6 | -160.8 | -64.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 503 | G | 24.1 | Very low | 32.4 | Very low | 69 Ų | 69 | 128.5 Ų | 128.5 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | cis | -170.8 | 165.5 | 4.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 504 | F | 28 | Very low | 32.3 | Very low | 201 Ų | 201 | 123 Ų | 123 | 88% | 0.882 | 75% | 0.754 | S | S | * | * | trans | -156.9 | -177.4 | -168.2 | -101.6 | -45.3 | 0 | 0 | 0 | 107.1 | ||||
| 505 | P | 51.6 | Low | 32.6 | Very low | 93 Ų | 93 | 125.9 Ų | 125.9 | 60% | 0.604 | 77% | 0.771 | S | S | * | * | cis | -140.8 | -178.4 | -36.3 | 40 | -22.1 | 0 | 0 | 0 | 114.7 | ||||
| 506 | Q | 29.6 | Very low | 32.4 | Very low | 166 Ų | 166 | 123.5 Ų | 123.5 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | 50.5 | 125.7 | 135.6 | -70.8 | 160.6 | 20.7 | 0 | 0 | 125.1 | ||||
| 507 | T | 38 | Very low | 33 | Very low | 126 Ų | 126 | 124.2 Ų | 124.2 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | 2.7 | 148.6 | 128.7 | 58.1 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 508 | P | 39 | Very low | 33.3 | Very low | 131 Ų | 131 | 125.3 Ų | 125.3 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | -146.5 | -174.2 | 103 | 38.4 | -21.9 | 0 | 0 | 0 | 117 | |||||
| 509 | S | 32.2 | Very low | 32.4 | Very low | 110 Ų | 110 | 127.7 Ų | 127.7 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -123.9 | -157.5 | -174.1 | 63.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 510 | P | 54.1 | Low | 32.4 | Very low | 113 Ų | 113 | 130.9 Ų | 130.9 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | cis | -136.6 | -179.7 | -18.8 | 40.7 | -23.6 | 0 | 0 | 0 | 115.2 | ||||
| 511 | S | 26.6 | Very low | 32.2 | Very low | 124 Ų | 124 | 130 Ų | 130 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | trans | 179.7 | 169.5 | 144.3 | 32.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 512 | L | 32.4 | Very low | 32.1 | Very low | 169 Ų | 169 | 127.2 Ų | 127.2 | 89% | 0.885 | 80% | 0.799 | S | S | * | * | trans | -115.6 | -173.6 | -173.4 | -66.5 | 164.3 | 0 | 0 | 0 | 110.9 | ||||
| 513 | P | 38.1 | Very low | 32.2 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | cis | -141.5 | 168.6 | -0.1 | 42.7 | -24.6 | 0 | 0 | 0 | 118.5 | ||||
| 514 | G | 24.2 | Very low | 32.3 | Very low | 71 Ų | 71 | 135 Ų | 135 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | 83.5 | 150.4 | 121.2 | 0 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 515 | I | 30.4 | Very low | 32.2 | Very low | 176 Ų | 176 | 128.9 Ų | 128.9 | 90% | 0.903 | 80% | 0.802 | S | S | * | * | trans | 87.4 | 154 | 155.6 | -53.4 | 177.6 | 0 | 0 | 0 | 118.2 | ||||
| 516 | S | 24.2 | Very low | 31 | Very low | 101 Ų | 101 | 128.5 Ų | 128.5 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | trans | -130.2 | 153 | -160.2 | -43.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 517 | L | 34.9 | Very low | 30.8 | Very low | 158 Ų | 158 | 128.6 Ų | 128.6 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | trans | 48.4 | 128.2 | 151.3 | -78.2 | 158.4 | 0 | 0 | 0 | 120.7 | ||||
| 518 | P | 34.7 | Very low | 30.3 | Very low | 118 Ų | 118 | 126.1 Ų | 126.1 | 77% | 0.766 | 81% | 0.812 | S | S | * | * | -129.3 | 160.8 | 88.9 | 11.3 | 11 | 0 | 0 | 0 | 112.3 | |||||
| 519 | L | 26.7 | Very low | 29.7 | Very low | 160 Ų | 160 | 131.7 Ų | 131.7 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | 75.5 | 131.5 | 51.4 | -155.9 | 85.9 | 0 | 0 | 0 | 115.3 | |||||
| 520 | M | 28.3 | Very low | 29.5 | Very low | 181 Ų | 181 | 133.4 Ų | 133.4 | 89% | 0.892 | 82% | 0.822 | S | S | * | * | trans | 102.7 | 123.4 | 159.4 | -160.3 | 91.9 | 113 | 0 | 0 | 118.7 | ||||
| 521 | G | 25.1 | Very low | 28.3 | Very low | 81 Ų | 81 | 132 Ų | 132 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | trans | 76.4 | 163.9 | 154.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 522 | G | 25.5 | Very low | 28.4 | Very low | 77 Ų | 77 | 135.8 Ų | 135.8 | 79% | 0.794 | 82% | 0.824 | S | S | * | * | cis | 156.5 | 102.1 | -13.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 523 | M | 28.3 | Very low | 28.2 | Very low | 179 Ų | 179 | 131.1 Ų | 131.1 | 88% | 0.882 | 82% | 0.816 | S | S | * | * | trans | 78.4 | 133.1 | 148.5 | -157.4 | 156.4 | 69.9 | 0 | 0 | 121.3 | ||||
| 524 | M | 26.8 | Very low | 27.8 | Very low | 180 Ų | 180 | 132.6 Ų | 132.6 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | trans | 66.3 | 130.1 | 150.6 | -82 | -68 | -168.2 | 0 | 0 | 123.8 | ||||
| 525 | G | 24.8 | Very low | 28 | Very low | 73 Ų | 73 | 134.4 Ų | 134.4 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | trans | 84.8 | 162.1 | 146.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 526 | A | 27 | Very low | 28.1 | Very low | 85 Ų | 85 | 134.3 Ų | 134.3 | 70% | 0.702 | 82% | 0.823 | S | S | * | * | cis | -165.9 | 148.2 | -20.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 527 | D | 25.1 | Very low | 28.3 | Very low | 169 Ų | 169 | 137.3 Ų | 137.3 | 90% | 0.904 | 83% | 0.83 | S | S | * | * | trans | 57.3 | 172.9 | 165.9 | -55.1 | -46.4 | 0 | 0 | 0 | 116.6 | ||||
| 528 | G | 27.3 | Very low | 27.9 | Very low | 73 Ų | 73 | 132.8 Ų | 132.8 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | cis | -156.9 | 167.2 | -2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 529 | R | 26.2 | Very low | 27.6 | Very low | 248 Ų | 248 | 134 Ų | 134 | 94% | 0.936 | 82% | 0.821 | S | S | * | * | trans | -83.5 | 144.6 | -171.6 | -59.1 | 163.8 | 164.1 | -174.8 | -6.6 | 114.3 | ||||
| 530 | T | 28.7 | Very low | 27.6 | Very low | 147 Ų | 147 | 133.5 Ų | 133.5 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | trans | -160.6 | 171 | 142.4 | 41.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 531 | A | 28.6 | Very low | 28.5 | Very low | 82 Ų | 82 | 129.9 Ų | 129.9 | 68% | 0.678 | 81% | 0.809 | S | S | * | * | -158.5 | 140.9 | -78.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 532 | Q | 28 | Very low | 28.8 | Very low | 204 Ų | 204 | 133.9 Ų | 133.9 | 95% | 0.953 | 80% | 0.803 | S | S | * | * | trans | 60.8 | 152.7 | 164.5 | -63.1 | 172.4 | -35.2 | 0 | 0 | 118 | ||||
| 533 | G | 29.2 | Very low | 29 | Very low | 71 Ų | 71 | 137.3 Ų | 137.3 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | cis | 151.5 | 132.5 | -11.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 534 | V | 28.8 | Very low | 28.9 | Very low | 151 Ų | 151 | 137.1 Ų | 137.1 | 92% | 0.915 | 80% | 0.798 | S | S | * | * | trans | -145.6 | 144.2 | 167.2 | -169.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 535 | S | 30 | Very low | 28.9 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | -112 | 153.3 | -178.1 | -56.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 536 | M | 31.4 | Very low | 29 | Very low | 174 Ų | 174 | 139.6 Ų | 139.6 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | trans | -158.8 | 120.1 | 142.7 | -92.7 | -46.1 | -150.9 | 0 | 0 | 112.5 | ||||
| 537 | L | 28.4 | Very low | 29.9 | Very low | 163 Ų | 163 | 140.3 Ų | 140.3 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | 46.4 | 127.7 | 129.7 | -147.1 | 69.7 | 0 | 0 | 0 | 120.8 | |||||
| 538 | G | 27.4 | Very low | 30.2 | Very low | 63 Ų | 63 | 141.2 Ų | 141.2 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | cis | 173.8 | 159.5 | -6.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 539 | D | 28.1 | Very low | 30.2 | Very low | 144 Ų | 144 | 143.9 Ų | 143.9 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | 50.3 | 125.2 | 155.9 | -58.6 | -27.1 | 0 | 0 | 0 | 122.2 | ||||
| 540 | L | 27.3 | Very low | 30.3 | Very low | 149 Ų | 149 | 136 Ų | 136 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | 81.8 | 155.6 | 64.3 | -85.4 | 166.6 | 0 | 0 | 0 | 114.5 | |||||
| 541 | P | 46.2 | Very low | 30.3 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 69% | 0.688 | 78% | 0.778 | S | S | * | * | cis | -143.8 | 166.7 | -2.4 | 43.6 | -24.7 | 0 | 0 | 0 | 119.8 | ||||
| 542 | K | 32.7 | Very low | 30.6 | Very low | 165 Ų | 165 | 140.6 Ų | 140.6 | 72% | 0.717 | 78% | 0.778 | S | S | * | * | trans | 52.6 | 141.7 | 131.6 | -71.2 | 177.6 | 153.4 | -139 | 0 | 128.7 | ||||
| 543 | E | 28.3 | Very low | 30.6 | Very low | 149 Ų | 149 | 137.8 Ų | 137.8 | 70% | 0.696 | 77% | 0.77 | S | S | * | * | trans | 74.8 | 135.2 | 132.6 | -74.8 | 167 | -148.8 | 0 | 0 | 125.3 | ||||
| 544 | M | 26.6 | Very low | 30.7 | Very low | 175 Ų | 175 | 138.4 Ų | 138.4 | 86% | 0.862 | 77% | 0.768 | S | S | * | * | -173.7 | -175.7 | 118.2 | -157.1 | 37.9 | 159.1 | 0 | 0 | 113.3 | |||||
| 545 | N | 26 | Very low | 30.6 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 63% | 0.626 | 76% | 0.762 | S | S | * | * | trans | -117.1 | 154.8 | -154.7 | -76.6 | -81.6 | 0 | 0 | 0 | 118.8 | ||||
| 546 | F | 26.9 | Very low | 30.6 | Very low | 187 Ų | 187 | 137.4 Ų | 137.4 | 82% | 0.82 | 76% | 0.762 | S | S | * | * | trans | 18.3 | 173.7 | 136.2 | -73.6 | -66.9 | 0 | 0 | 0 | 124.5 | ||||
| 547 | P | 46.2 | Very low | 30.4 | Very low | 101 Ų | 101 | 139.1 Ų | 139.1 | 66% | 0.656 | 76% | 0.761 | S | S | * | * | cis | -143.3 | 177 | -13.6 | 30.7 | -6.3 | 0 | 0 | 0 | 119.4 | ||||
| 548 | Q | 31.7 | Very low | 31.4 | Very low | 188 Ų | 188 | 136.3 Ų | 136.3 | 88% | 0.879 | 75% | 0.752 | S | S | * | * | trans | 55.9 | 136.8 | 138.7 | -76.3 | 175.3 | -22.7 | 0 | 0 | 127.3 | ||||
| 549 | S | 26.8 | Very low | 31.5 | Very low | 128 Ų | 128 | 139.1 Ų | 139.1 | 90% | 0.895 | 76% | 0.762 | S | S | * | * | -176 | 174.6 | 123 | 37.5 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 550 | A | 28.3 | Very low | 31.6 | Very low | 84 Ų | 84 | 137.1 Ų | 137.1 | 69% | 0.694 | 77% | 0.765 | S | S | * | * | trans | -153.6 | -166.7 | -162.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 551 | F | 30.3 | Very low | 31.6 | Very low | 194 Ų | 194 | 135.2 Ų | 135.2 | 85% | 0.851 | 76% | 0.764 | S | S | * | * | trans | 91.7 | 149.2 | 175.2 | -53 | -56.7 | 0 | 0 | 0 | 117.3 | ||||
| 552 | L | 33.8 | Very low | 30.8 | Very low | 130 Ų | 130 | 135.8 Ų | 135.8 | 68% | 0.681 | 77% | 0.771 | S | S | * | * | cis | -164.5 | 153.5 | -9.9 | -108.2 | 168 | 0 | 0 | 0 | 112.9 | ||||
| 553 | N | 28 | Very low | 30.7 | Very low | 145 Ų | 145 | 138.9 Ų | 138.9 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | trans | 54.9 | 159.2 | 150.4 | -72.4 | -7.3 | 0 | 0 | 0 | 123.4 | ||||
| 554 | A | 30.9 | Very low | 31.4 | Very low | 84 Ų | 84 | 136.1 Ų | 136.1 | 69% | 0.694 | 77% | 0.773 | S | S | * | * | cis | -173.1 | 143.5 | -27.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 555 | S | 27 | Very low | 31.6 | Very low | 115 Ų | 115 | 136 Ų | 136 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 164.7 | 158.8 | 154.8 | -78.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 556 | V | 29.9 | Very low | 32.6 | Very low | 125 Ų | 125 | 135.3 Ų | 135.3 | 76% | 0.758 | 77% | 0.772 | S | S | * | * | cis | 89.9 | 137.9 | 9.3 | -178.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 557 | Y | 28.3 | Very low | 32.9 | Very low | 210 Ų | 210 | 136.5 Ų | 136.5 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | cis | 179.7 | -178 | -36.1 | -106.4 | -36.2 | 0 | 0 | 0 | 108.8 | ||||
| 558 | P | 49.7 | Very low | 32.2 | Very low | 103 Ų | 103 | 143.6 Ų | 143.6 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | cis | -137.3 | 179.6 | -23.1 | 38.1 | -19 | 0 | 0 | 0 | 116.9 | ||||
| 559 | S | 28.6 | Very low | 32 | Very low | 122 Ų | 122 | 144.1 Ų | 144.1 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | 71.8 | 155.5 | 152.1 | -70.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 560 | A | 29.6 | Very low | 32.1 | Very low | 102 Ų | 102 | 149 Ų | 149 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | cis | -130.6 | -173.7 | 9.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 561 | S | 28.6 | Very low | 32.4 | Very low | 109 Ų | 109 | 150.9 Ų | 150.9 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | -140.1 | 145.2 | -161.8 | 176.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 562 | S | 29.3 | Very low | 32.2 | Very low | 118 Ų | 118 | 148.1 Ų | 148.1 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -155.8 | 159.6 | 153.9 | 61 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 563 | R | 29.9 | Very low | 32.6 | Very low | 230 Ų | 230 | 147.2 Ų | 147.2 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | trans | -157 | 174.7 | -163.7 | -90.9 | -171.5 | -178.7 | -169 | 2.9 | 109 | ||||
| 564 | P | 43.3 | Very low | 32.5 | Very low | 92 Ų | 92 | 145.4 Ų | 145.4 | 60% | 0.597 | 79% | 0.79 | S | S | * | * | cis | -141.6 | -169.1 | -30.5 | 36 | -15.5 | 0 | 0 | 0 | 114.9 | ||||
| 565 | H | 31.1 | Very low | 32.2 | Very low | 171 Ų | 171 | 149.3 Ų | 149.3 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | trans | 83.9 | 155.6 | 149.8 | -68.8 | -28.8 | 0 | 0 | 0 | 120.9 | ||||
| 566 | P | 46.2 | Very low | 32.3 | Very low | 104 Ų | 104 | 149.1 Ų | 149.1 | 68% | 0.675 | 79% | 0.793 | S | S | * | * | -139.1 | -177.4 | -55 | 37.3 | -19 | 0 | 0 | 0 | 115.9 | |||||
| 567 | Y | 32.6 | Very low | 32.2 | Very low | 211 Ų | 211 | 148.2 Ų | 148.2 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | 88.1 | 81.8 | 166.9 | -85.7 | -94.1 | 0 | 0 | 0 | 121.3 | ||||
| 568 | R | 31.3 | Very low | 32.3 | Very low | 251 Ų | 251 | 144.4 Ų | 144.4 | 95% | 0.947 | 79% | 0.786 | S | S | * | * | trans | -151.3 | 128.1 | 134.6 | -155 | 171.1 | -171.7 | 166.5 | 3.8 | 110.1 | ||||
| 569 | K | 29.1 | Very low | 31.2 | Very low | 199 Ų | 199 | 146.6 Ų | 146.6 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | trans | -87.7 | 130.7 | 179.1 | -74.3 | -173.1 | 176.3 | -177.6 | 0 | 111.8 | ||||
| 570 | R | 28 | Very low | 31.1 | Very low | 229 Ų | 229 | 148.2 Ų | 148.2 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | -151.9 | 131.5 | 157.8 | -178.8 | -171 | -74.7 | -163.8 | -2.4 | 107.7 | ||||
| 571 | P | 33.8 | Very low | 30.9 | Very low | 124 Ų | 124 | 149.6 Ų | 149.6 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | trans | -74.8 | 148.1 | 171.9 | -15 | 30.8 | 0 | 0 | 0 | 112.7 | ||||
| 572 | T | 27.9 | Very low | 30.8 | Very low | 137 Ų | 137 | 152.8 Ų | 152.8 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | trans | -102.9 | 164.7 | 170.7 | 22.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 573 | P | 41.3 | Very low | 30.8 | Very low | 110 Ų | 110 | 156.4 Ų | 156.4 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | trans | -102.1 | -175 | -172.9 | 41.1 | -37.1 | 0 | 0 | 0 | 114.3 | ||||
| 574 | S | 26.1 | Very low | 30.6 | Very low | 108 Ų | 108 | 152.1 Ų | 152.1 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | 83.7 | 136.1 | 154.4 | 76.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 575 | N | 24.4 | Very low | 29.8 | Very low | 165 Ų | 165 | 156.1 Ų | 156.1 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | trans | -152.6 | 151.5 | 133.9 | -147.1 | -8.5 | 0 | 0 | 0 | 109.1 | ||||
| 576 | V | 29.6 | Very low | 29.6 | Very low | 112 Ų | 112 | 155.5 Ų | 155.5 | 68% | 0.679 | 79% | 0.789 | S | S | * | * | trans | -150.7 | 141 | -162.6 | -170.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 577 | S | 27.4 | Very low | 29 | Very low | 105 Ų | 105 | 156.7 Ų | 156.7 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -167.2 | 128 | 149.1 | -84.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 578 | N | 29.5 | Very low | 28.7 | Very low | 131 Ų | 131 | 153 Ų | 153 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | 77.9 | 133.9 | 65.9 | -76.7 | -17.8 | 0 | 0 | 0 | 112.8 | |||||
| 579 | Q | 27.3 | Very low | 28.6 | Very low | 148 Ų | 148 | 151.8 Ų | 151.8 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | cis | -159.3 | 159 | 14.8 | -126.9 | 178.6 | 108.4 | 0 | 0 | 113.7 | ||||
| 580 | H | 26.8 | Very low | 28.4 | Very low | 156 Ų | 156 | 149.2 Ų | 149.2 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | 68 | 152.9 | 167.5 | -69.4 | 40.4 | 0 | 0 | 0 | 116.6 | ||||
| 581 | T | 25.3 | Very low | 28.6 | Very low | 132 Ų | 132 | 146.3 Ų | 146.3 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | cis | -130.7 | 177.5 | 13.6 | -26.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 582 | H | 27.5 | Very low | 28.4 | Very low | 175 Ų | 175 | 151.4 Ų | 151.4 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | -65.1 | 134.1 | -178.8 | -78.1 | -126.7 | 0 | 0 | 0 | 114.7 | ||||
| 583 | H | 27.9 | Very low | 28.4 | Very low | 195 Ų | 195 | 155.3 Ų | 155.3 | 90% | 0.903 | 79% | 0.789 | S | S | * | * | -163.1 | 179.1 | 113 | -118.2 | -46.2 | 0 | 0 | 0 | 112.9 | |||||
| 584 | N | 26 | Very low | 27.7 | Very low | 140 Ų | 140 | 158 Ų | 158 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | trans | -130 | 126 | -170.3 | 166.2 | 32.7 | 0 | 0 | 0 | 109.1 | ||||
| 585 | M | 27.1 | Very low | 27.7 | Very low | 175 Ų | 175 | 159.9 Ų | 159.9 | 86% | 0.862 | 79% | 0.794 | S | S | * | * | trans | -159.9 | 160 | 158.7 | -124.1 | -170.5 | -178.9 | 0 | 0 | 115 | ||||
| 586 | Q | 27.7 | Very low | 27.8 | Very low | 158 Ų | 158 | 157 Ų | 157 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | trans | -89.8 | 158.3 | 179.4 | -60.3 | 155.1 | -68.5 | 0 | 0 | 111.2 | N588 | Q586-N588 PolarHBondContact O-N 3.42Š| ||
| 587 | P | 33.1 | Very low | 27.7 | Very low | 129 Ų | 129 | 163.2 Ų | 163.2 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | trans | -69.8 | 122 | 166.1 | 29.8 | -32.9 | 0 | 0 | 0 | 110 | ||||
| 588 | N | 26.4 | Very low | 27.7 | Very low | 134 Ų | 134 | 163.8 Ų | 163.8 | 72% | 0.717 | 80% | 0.804 | S | S | * | * | trans | -122.8 | 127.8 | 179.9 | -164.5 | 1.3 | 0 | 0 | 0 | 109.5 | Q586 | Q586-N588 PolarHBondContact O-N 3.42Š| ||
| 589 | Y | 27.8 | Very low | 28.4 | Very low | 225 Ų | 225 | 162.8 Ų | 162.8 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | trans | -94.1 | 122.1 | 176.4 | -83.5 | -82.3 | 0 | 0 | 0 | 109.5 | ||||
| 590 | N | 26.1 | Very low | 28.2 | Very low | 145 Ų | 145 | 165 Ų | 165 | 78% | 0.775 | 82% | 0.815 | S | S | * | * | trans | -140.4 | 121.3 | 179.8 | -140.1 | -22.8 | 0 | 0 | 0 | 109.9 | ||||
| 591 | L | 31.7 | Very low | 28.3 | Very low | 169 Ų | 169 | 168.1 Ų | 168.1 | 89% | 0.885 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 128.7 | 175.2 | -86.8 | 164.3 | 0 | 0 | 0 | 108.5 | ||
| 592 | R | 28.8 | Very low | 29.4 | Very low | 230 Ų | 230 | 166.8 Ų | 166.8 | 87% | 0.868 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 131.4 | -177.8 | -75.3 | -171.7 | 172.6 | -160.9 | -2.4 | 111.8 | ||
| 593 | Y | 28.5 | Very low | 30.2 | Very low | 220 Ų | 220 | 163.9 Ų | 163.9 | 86% | 0.863 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 156.9 | 142.1 | -95.6 | -104.4 | 0 | 0 | 0 | 109.4 | ||
| 594 | Q | 27.3 | Very low | 31.2 | Very low | 165 Ų | 165 | 159.5 Ų | 159.5 | 77% | 0.771 | 80% | 0.801 | S | S | * | * | trans | -145.5 | 106.6 | 177.1 | -170.1 | 170 | 2.8 | 0 | 0 | 109.4 | ||||
| 595 | D | 26.2 | Very low | 31.3 | Very low | 148 Ų | 148 | 159.9 Ų | 159.9 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | trans | -74.9 | 157.9 | 175.9 | -66.5 | -71.9 | 0 | 0 | 0 | 112.1 | ||||
| 596 | S | 25.9 | Very low | 31.3 | Very low | 105 Ų | 105 | 158.6 Ų | 158.6 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -160.1 | 101.3 | 169.3 | -74.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 597 | Y | 28 | Very low | 31.4 | Very low | 242 Ų | 242 | 158.1 Ų | 158.1 | 95% | 0.949 | 79% | 0.792 | S | S | * | * | trans | -151.4 | 153 | 152.3 | -106.3 | -77.6 | 0 | 0 | 0 | 109.4 | ||||
| 598 | S | 27.7 | Very low | 31 | Very low | 118 Ų | 118 | 158.2 Ų | 158.2 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -114.4 | 164 | -169.2 | -69.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 599 | P | 44.1 | Very low | 31 | Very low | 109 Ų | 109 | 155.4 Ų | 155.4 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | trans | -109.2 | 167.7 | -156.2 | 40.9 | -35.4 | 0 | 0 | 0 | 115.8 | ||||
| 600 | E | 22.8 | Very low | 31 | Very low | 196 Ų | 196 | 153 Ų | 153 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | trans | -140.9 | 167.7 | 157.5 | -104.5 | 177.3 | 158.9 | 0 | 0 | 110.6 | ||||
| 601 | Y | 28.4 | Very low | 31.1 | Very low | 220 Ų | 220 | 150.8 Ų | 150.8 | 86% | 0.863 | 78% | 0.784 | S | S | * | * | trans | -113.3 | 166.7 | -158.8 | -109 | -121 | 0 | 0 | 0 | 115.4 | ||||
| 602 | P | 48.9 | Very low | 31 | Very low | 105 Ų | 105 | 153.9 Ų | 153.9 | 68% | 0.682 | 79% | 0.786 | S | S | * | * | trans | -99.1 | -152.8 | -167.3 | 44.2 | -37.9 | 0 | 0 | 0 | 111.9 | ||||
| 603 | P | 44.4 | Very low | 30.9 | Very low | 113 Ų | 113 | 148.2 Ų | 148.2 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | cis | -142.4 | -143.6 | 0.2 | 44.6 | -22.1 | 0 | 0 | 0 | 113.4 | ||||
| 604 | P | 49.1 | Very low | 30.8 | Very low | 104 Ų | 104 | 148.8 Ų | 148.8 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | cis | -124.4 | 173.4 | -40.1 | 30.3 | -12.2 | 0 | 0 | 0 | 114.4 | ||||
| 605 | L | 27.3 | Very low | 30.8 | Very low | 148 Ų | 148 | 149.9 Ų | 149.9 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | 173.7 | 108.4 | 118.2 | -91.9 | 173.1 | 0 | 0 | 0 | 115.4 | |||||
| 606 | Q | 27.3 | Very low | 30.7 | Very low | 147 Ų | 147 | 151.4 Ų | 151.4 | 69% | 0.687 | 79% | 0.791 | S | S | * | * | 64.6 | 104.9 | 128.6 | -157.8 | 161.7 | 4.3 | 0 | 0 | 124.5 | |||||
| 607 | Q | 28.6 | Very low | 30.7 | Very low | 149 Ų | 149 | 153.9 Ų | 153.9 | 70% | 0.696 | 79% | 0.791 | S | S | * | * | trans | 61.9 | 148.8 | 135.5 | -65.7 | -175.2 | -80.2 | 0 | 0 | 121.8 | ||||
| 608 | D | 25.7 | Very low | 30.7 | Very low | 130 Ų | 130 | 150.4 Ų | 150.4 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | cis | -159.8 | 169.5 | -9.1 | -127.7 | -44.7 | 0 | 0 | 0 | 113.7 | ||||
| 609 | A | 26.9 | Very low | 30.8 | Very low | 75 Ų | 75 | 150.9 Ų | 150.9 | 62% | 0.62 | 78% | 0.777 | S | S | * | * | trans | 59.3 | 121 | 149.1 | 0 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 610 | L | 27.9 | Very low | 30.1 | Very low | 175 Ų | 175 | 153.5 Ų | 153.5 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | trans | 68 | 121.3 | 136.1 | -62.2 | 172.4 | 0 | 0 | 0 | 123.8 | ||||
| 611 | A | 28 | Very low | 30.3 | Very low | 99 Ų | 99 | 149.7 Ų | 149.7 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | -167.4 | 132.1 | 128.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 612 | Y | 29 | Very low | 30.3 | Very low | 233 Ų | 233 | 146.5 Ų | 146.5 | 91% | 0.914 | 78% | 0.781 | S | S | * | * | trans | -151.5 | 160.3 | 167.2 | -119.9 | -88.1 | 0 | 0 | 0 | 108.3 | ||||
| 613 | S | 26 | Very low | 29.2 | Very low | 112 Ų | 112 | 144.7 Ų | 144.7 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | trans | 90.6 | 135.9 | 171.4 | -48.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 614 | Y | 26.7 | Very low | 28.4 | Very low | 232 Ų | 232 | 143.8 Ų | 143.8 | 91% | 0.91 | 78% | 0.784 | S | S | * | * | trans | -149.8 | 165.4 | 156 | -124.6 | -93.2 | 0 | 0 | 0 | 107.9 | ||||
| 615 | E | 28 | Very low | 27.4 | Very low | 188 Ų | 188 | 146.8 Ų | 146.8 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | 82.6 | 52.2 | -176 | -60.5 | -161.2 | 79.9 | 0 | 0 | 118.5 | ||||
| 616 | Q | 24.5 | Very low | 27.6 | Very low | 179 Ų | 179 | 144.7 Ų | 144.7 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | trans | -147.2 | 147.2 | 134.3 | -117.6 | 173.4 | -10.4 | 0 | 0 | 105.9 | ||||
| 617 | Q | 26.4 | Very low | 27.6 | Very low | 158 Ų | 158 | 140.6 Ų | 140.6 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | cis | -160.7 | 157.7 | 21.8 | 178.5 | 158.9 | -21.5 | 0 | 0 | 110.8 | ||||
| 618 | E | 27.4 | Very low | 27.7 | Very low | 168 Ų | 168 | 144 Ų | 144 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | -102.3 | 155.2 | 161.4 | -86.7 | -156.9 | 130.7 | 0 | 0 | 112.3 | ||||
| 619 | N | 28.8 | Very low | 27.8 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 68% | 0.684 | 81% | 0.808 | S | S | * | * | trans | 79.9 | 116.5 | 162.1 | -77.1 | -62.8 | 0 | 0 | 0 | 121.1 | ||||
| 620 | L | 31.1 | Very low | 28.1 | Very low | 165 Ų | 165 | 145.4 Ų | 145.4 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | 101.5 | 141.7 | 141.4 | -69.5 | 163.2 | 0 | 0 | 0 | 120.1 | ||||
| 621 | C | 25.6 | Very low | 28.3 | Very low | 116 Ų | 116 | 143.4 Ų | 143.4 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | -105.1 | 160.9 | -156.8 | -49.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 622 | V | 28.7 | Very low | 28.2 | Very low | 153 Ų | 153 | 147 Ų | 147 | 93% | 0.927 | 80% | 0.799 | S | S | * | * | 177.3 | 145.9 | 127.3 | 145.3 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 623 | G | 26.5 | Very low | 28.1 | Very low | 67 Ų | 67 | 140.6 Ų | 140.6 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | trans | 110 | 73.1 | 151.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 624 | A | 27 | Very low | 28.2 | Very low | 94 Ų | 94 | 145.2 Ų | 145.2 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | trans | 53.7 | 137.2 | 130.2 | 0 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 625 | L | 29 | Very low | 28.2 | Very low | 166 Ų | 166 | 141.5 Ų | 141.5 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | trans | 81.2 | 113.1 | 140.9 | -76.4 | 164.1 | 0 | 0 | 0 | 123 | ||||
| 626 | A | 30.6 | Very low | 29 | Very low | 104 Ų | 104 | 137.4 Ų | 137.4 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | 64 | 148.4 | 141.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 627 | G | 28 | Very low | 29.4 | Very low | 61 Ų | 61 | 134 Ų | 134 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | cis | 169.7 | 166.7 | -5.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 628 | F | 29.3 | Very low | 29.7 | Very low | 221 Ų | 221 | 136.5 Ų | 136.5 | 97% | 0.969 | 76% | 0.761 | S | S | * | * | trans | 65.9 | 151.5 | -174.1 | -59.4 | -92.1 | 0 | 0 | 0 | 114.4 | ||||
| 629 | G | 28.1 | Very low | 29.8 | Very low | 70 Ų | 70 | 132.9 Ų | 132.9 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | cis | 117.1 | 134 | 11.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 630 | Q | 34.5 | Very low | 29.9 | Very low | 165 Ų | 165 | 133.2 Ų | 133.2 | 77% | 0.771 | 75% | 0.751 | S | S | * | * | cis | -158.7 | 158.3 | 16.2 | -127.3 | 177.3 | 2.1 | 0 | 0 | 110.3 | ||||
| 631 | Q | 31.4 | Very low | 29.7 | Very low | 132 Ų | 132 | 135.2 Ų | 135.2 | 62% | 0.617 | 75% | 0.747 | S | S | * | * | trans | 34.3 | 153.1 | 136.5 | -71.7 | 168.9 | -13.2 | 0 | 0 | 121.6 | ||||
| 632 | F | 26.4 | Very low | 29.7 | Very low | 175 Ų | 175 | 137.3 Ų | 137.3 | 77% | 0.768 | 74% | 0.743 | S | S | * | * | cis | -164.1 | 173.6 | 3.5 | -114.5 | -34.7 | 0 | 0 | 0 | 106.4 | ||||
| 633 | S | 27 | Very low | 30.5 | Very low | 99 Ų | 99 | 136.2 Ų | 136.2 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | cis | -157.3 | -155.6 | -2.7 | 46.6 | 0 | 0 | 0 | 0 | 106 | ||||
| 634 | R | 26.8 | Very low | 30.6 | Very low | 209 Ų | 209 | 139.5 Ų | 139.5 | 79% | 0.789 | 74% | 0.737 | S | S | * | * | cis | -162.6 | 174.3 | 6.5 | -152.6 | -157.6 | 146.2 | 116 | 3 | 109.2 | ||||
| 635 | Q | 27.6 | Very low | 30.8 | Very low | 154 Ų | 154 | 146.1 Ų | 146.1 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | trans | -124.1 | -176.7 | 158.9 | -65.9 | 178.4 | -70.4 | 0 | 0 | 110.1 | ||||
| 636 | P | 45.2 | Very low | 30.7 | Very low | 102 Ų | 102 | 142.6 Ų | 142.6 | 66% | 0.662 | 74% | 0.738 | S | S | * | * | -133.2 | 177.8 | 98.1 | 38.2 | -30.8 | 0 | 0 | 0 | 112.3 | |||||
| 637 | D | 31.6 | Very low | 30.8 | Very low | 108 Ų | 108 | 144.6 Ų | 144.6 | 58% | 0.578 | 73% | 0.734 | S | S | * | * | cis | -164.9 | -177.1 | -35.1 | -77.7 | -31.7 | 0 | 0 | 0 | 103.2 | ||||
| 638 | Y | 33 | Very low | 31.6 | Very low | 210 Ų | 210 | 147.4 Ų | 147.4 | 82% | 0.824 | 74% | 0.741 | S | S | * | * | cis | -145.5 | -159.3 | 10.9 | -108.9 | -77.6 | 0 | 0 | 0 | 105.3 | ||||
| 639 | S | 29.3 | Very low | 31.6 | Very low | 91 Ų | 91 | 142.2 Ų | 142.2 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | cis | -160 | 178.1 | 6.9 | -142.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 640 | E | 31.1 | Very low | 31.9 | Very low | 135 Ų | 135 | 143.8 Ų | 143.8 | 63% | 0.631 | 73% | 0.733 | S | S | * | * | trans | 32.5 | 132.1 | 156.4 | -62.8 | -149.9 | -178.8 | 0 | 0 | 122.5 | ||||
| 641 | R | 26.5 | Very low | 33.1 | Very low | 207 Ų | 207 | 141.4 Ų | 141.4 | 78% | 0.781 | 73% | 0.732 | S | S | * | * | cis | -158.5 | 169.9 | -4.1 | -133.4 | 179.8 | -171.5 | 121.9 | 11.7 | 114.2 | ||||
| 642 | F | 26.2 | Very low | 34.1 | Very low | 160 Ų | 160 | 140 Ų | 140 | 70% | 0.702 | 73% | 0.733 | S | S | * | * | trans | -90.3 | 169.7 | -171.6 | -88.9 | -68.1 | 0 | 0 | 0 | 115.1 | H644 | F642-H644 AromaticContact CD1-CD2 3.89Å; F642-H644 AromaticContact CD1-CE1 3.51Å; F642-H644 AromaticContact CD1-NE2 3.33Å; F642-H644 VanDerWaalsContact CD1-NE2 3.33Å; F642-H644 WeakPolarHBondContact CD1-NE2 3.47Å; F642-H644 AromaticContact CE1-CE1 3.24Å; F642-H644 WeakPolarHBondContact CE1-CE1 3.24Å; F642-H644 AromaticContact CE1-NE2 3.47Å; F642-H644 WeakPolarHBondContact CE1-NE2 3.33Å; F642-H644 AromaticContact CG-NE2 3.77Å; F642-H644 AromaticContact CZ-CE1 3.89Å; F642-H644 AromaticContact CZ-NE2 3.99Å | ||
| 643 | P | 46.5 | Very low | 34.2 | Very low | 130 Ų | 130 | 139.3 Ų | 139.3 | 84% | 0.844 | 74% | 0.737 | S | S | * | * | -142.9 | -175 | 72.4 | 34.9 | -12 | 0 | 0 | 0 | 118 | |||||
| 644 | H | 28.7 | Very low | 34.3 | Very low | 136 Ų | 136 | 139.2 Ų | 139.2 | 63% | 0.63 | 74% | 0.737 | S | S | * | * | trans | -127.7 | 174.1 | -161.1 | -57.9 | -96.9 | 0 | 0 | 0 | 115.7 | F642 | F642-H644 AromaticContact CD1-CD2 3.89Å; F642-H644 AromaticContact CD1-CE1 3.51Å; F642-H644 AromaticContact CD1-NE2 3.33Å; F642-H644 VanDerWaalsContact CD1-NE2 3.33Å; F642-H644 WeakPolarHBondContact CD1-NE2 3.47Å; F642-H644 AromaticContact CE1-CE1 3.24Å; F642-H644 WeakPolarHBondContact CE1-CE1 3.24Å; F642-H644 AromaticContact CE1-NE2 3.47Å; F642-H644 WeakPolarHBondContact CE1-NE2 3.33Å; F642-H644 AromaticContact CG-NE2 3.77Å; F642-H644 AromaticContact CZ-CE1 3.89Å; F642-H644 AromaticContact CZ-NE2 3.99Å | ||
| 645 | Y | 30 | Very low | 34.4 | Very low | 234 Ų | 234 | 133.4 Ų | 133.4 | 92% | 0.918 | 73% | 0.728 | S | S | * | * | trans | 141.5 | 144.7 | 138.7 | -84.8 | -68 | 0 | 0 | 0 | 111.1 | ||||
| 646 | A | 27.7 | Very low | 34.6 | Very low | 92 Ų | 92 | 136.8 Ų | 136.8 | 76% | 0.76 | 74% | 0.736 | S | S | * | * | cis | -153.3 | 172.3 | -5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 647 | D | 31.2 | Very low | 33.9 | Very low | 145 Ų | 145 | 141 Ų | 141 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | trans | -106.7 | 164.3 | 175.3 | -162 | 25.3 | 0 | 0 | 0 | 110.8 | ||||
| 648 | P | 46.5 | Very low | 33.7 | Very low | 120 Ų | 120 | 140 Ų | 140 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | -157 | -176.4 | 108 | 41.5 | -21.9 | 0 | 0 | 0 | 118.1 | |||||
| 649 | S | 28 | Very low | 33.5 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | trans | -91.1 | 175.7 | -166.3 | 59.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 650 | S | 34.5 | Very low | 33.6 | Very low | 103 Ų | 103 | 134.2 Ų | 134.2 | 72% | 0.72 | 75% | 0.746 | S | S | * | * | trans | -76.1 | -170.1 | 170.7 | 61.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 651 | P | 61 | Low | 34.4 | Very low | 115 Ų | 115 | 134 Ų | 134 | 75% | 0.747 | 76% | 0.757 | S | S | * | * | cis | -125.1 | -124.4 | -6.4 | 36.7 | -13.8 | 0 | 0 | 0 | 110.6 | ||||
| 652 | P | 52.1 | Low | 34.5 | Very low | 101 Ų | 101 | 133 Ų | 133 | 66% | 0.656 | 76% | 0.761 | S | S | * | * | cis | -129 | -177.4 | -41.4 | 34.6 | -15.2 | 0 | 0 | 0 | 114.7 | ||||
| 653 | L | 28.7 | Very low | 34.5 | Very low | 162 Ų | 162 | 130.4 Ų | 130.4 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | 162.1 | 124.6 | 128.2 | -87.6 | 165.1 | 0 | 0 | 0 | 118.5 | |||||
| 654 | S | 28.4 | Very low | 33.7 | Very low | 97 Ų | 97 | 129.1 Ų | 129.1 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | trans | 54.6 | 113.2 | 132.7 | -139.4 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 655 | S | 29.3 | Very low | 33.7 | Very low | 87 Ų | 87 | 127.8 Ų | 127.8 | 61% | 0.608 | 77% | 0.769 | S | S | * | * | 58.6 | 127.3 | 125.9 | 68.1 | 0 | 0 | 0 | 0 | 124 | |||||
| 656 | Y | 30.9 | Very low | 35.2 | Very low | 225 Ų | 225 | 121.9 Ų | 121.9 | 88% | 0.882 | 76% | 0.76 | S | S | * | * | -155.5 | 165 | 105.1 | -109.3 | -75.1 | 0 | 0 | 0 | 112.7 | |||||
| 657 | F | 30.2 | Very low | 36.3 | Very low | 189 Ų | 189 | 123.1 Ų | 123.1 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | trans | -74.2 | 164.8 | -174.1 | -93.9 | -129.3 | 0 | 0 | 0 | 114.2 | ||||
| 658 | S | 28.1 | Very low | 36.3 | Very low | 87 Ų | 87 | 120.2 Ų | 120.2 | 61% | 0.608 | 76% | 0.756 | S | S | * | * | cis | -169.1 | 177.2 | -13.3 | -123 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 659 | S | 29 | Very low | 35.5 | Very low | 113 Ų | 113 | 119.9 Ų | 119.9 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | trans | 62.9 | 123.2 | 150 | 57.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 660 | G | 31.4 | Very low | 35.9 | Very low | 67 Ų | 67 | 122.2 Ų | 122.2 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | trans | -81.3 | -169.2 | 144.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 661 | P | 47.9 | Very low | 35.9 | Very low | 131 Ų | 131 | 123.9 Ų | 123.9 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | -147.4 | -136.8 | 64.4 | 43.7 | -23.8 | 0 | 0 | 0 | 114.3 | |||||
| 662 | E | 27.7 | Very low | 34.6 | Very low | 185 Ų | 185 | 125.3 Ų | 125.3 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | trans | -66.5 | -177.6 | -166.9 | -53.7 | 171.8 | 96.9 | 0 | 0 | 117.7 | ||||
| 663 | A | 26.1 | Very low | 33.7 | Very low | 106 Ų | 106 | 129.9 Ų | 129.9 | 88% | 0.876 | 76% | 0.761 | S | S | * | * | trans | 105.3 | 158.4 | 147.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 664 | S | 30.1 | Very low | 33.9 | Very low | 104 Ų | 104 | 126.8 Ų | 126.8 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | -125.6 | 158.8 | -166.6 | 55.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 665 | S | 28.2 | Very low | 34.1 | Very low | 107 Ų | 107 | 129.4 Ų | 129.4 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | 68.6 | -178.8 | 164.7 | 85.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 666 | P | 63 | Low | 34.1 | Very low | 111 Ų | 111 | 127.9 Ų | 127.9 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | cis | -126.1 | -136.9 | -47.6 | 32 | -10.2 | 0 | 0 | 0 | 107.7 | ||||
| 667 | P | 50.8 | Low | 34.4 | Very low | 118 Ų | 118 | 125.6 Ų | 125.6 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | cis | -132.3 | -149.1 | -20.3 | 40.6 | -20 | 0 | 0 | 0 | 113.5 | ||||
| 668 | A | 30.6 | Very low | 35.7 | Very low | 83 Ų | 83 | 121.5 Ų | 121.5 | 69% | 0.686 | 76% | 0.76 | S | S | * | * | trans | 80.9 | 87.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 669 | T | 30.6 | Very low | 36.7 | Very low | 114 Ų | 114 | 123.6 Ų | 123.6 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | 77.2 | 114.2 | 68.5 | 63.5 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 670 | H | 34.5 | Very low | 36.8 | Very low | 161 Ų | 161 | 121.4 Ų | 121.4 | 75% | 0.745 | 77% | 0.766 | S | S | * | * | 177.7 | 127.7 | 104.1 | -97.1 | -79.8 | 0 | 0 | 0 | 114.7 | |||||
| 671 | L | 36.2 | Very low | 36.7 | Very low | 139 Ų | 139 | 124.8 Ų | 124.8 | 73% | 0.728 | 77% | 0.774 | S | S | * | * | trans | 62.6 | 91.3 | 141.7 | -59.4 | 171 | 0 | 0 | 0 | 123.7 | ||||
| 672 | N | 32 | Very low | 36 | Very low | 145 Ų | 145 | 127.8 Ų | 127.8 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | 52.9 | 136.7 | 106.7 | -75.8 | -39.7 | 0 | 0 | 0 | 125.3 | |||||
| 673 | K | 33 | Very low | 36 | Very low | 196 Ų | 196 | 124.6 Ų | 124.6 | 85% | 0.852 | 77% | 0.774 | S | S | * | * | trans | 79.8 | 97.1 | 140.7 | -82.9 | -174 | 172.1 | -178.6 | 0 | 122.4 | ||||
| 674 | A | 34.2 | Very low | 36.2 | Very low | 97 Ų | 97 | 123.9 Ų | 123.9 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | 33.3 | 112.9 | 118.5 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 675 | V | 32.9 | Very low | 37.1 | Very low | 153 Ų | 153 | 125 Ų | 125 | 93% | 0.927 | 77% | 0.773 | S | S | * | * | trans | -144.2 | 153.6 | 143.5 | 173.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 676 | G | 28.6 | Very low | 37.2 | Very low | 54 Ų | 54 | 130.6 Ų | 130.6 | 56% | 0.557 | 78% | 0.779 | S | S | * | * | trans | -154.7 | 158.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 677 | M | 37.3 | Very low | 37.2 | Very low | 178 Ų | 178 | 130.4 Ų | 130.4 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | trans | -160.4 | 158.3 | 168.7 | -93.2 | -55.5 | 100.5 | 0 | 0 | 111.7 | ||||
| 678 | P | 57.3 | Low | 37.5 | Very low | 102 Ų | 102 | 130.6 Ų | 130.6 | 66% | 0.662 | 78% | 0.779 | S | S | * | * | trans | -96.9 | -166.1 | 175.3 | 43.2 | -35.6 | 0 | 0 | 0 | 111.1 | ||||
| 679 | P | 49.7 | Very low | 37.3 | Very low | 132 Ų | 132 | 133.6 Ų | 133.6 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | -135.7 | 170.9 | 73 | 33.9 | -16 | 0 | 0 | 0 | 113.7 | |||||
| 680 | G | 30.4 | Very low | 37.2 | Very low | 66 Ų | 66 | 134.5 Ų | 134.5 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | cis | 179 | 172.4 | -2.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 681 | T | 29.5 | Very low | 37 | Very low | 139 Ų | 139 | 130.5 Ų | 130.5 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -136.9 | 140.1 | -173.5 | 38.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 682 | H | 32.4 | Very low | 36.8 | Very low | 194 Ų | 194 | 131.6 Ų | 131.6 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | trans | -136.1 | 138 | 152.3 | -65.3 | -90.1 | 0 | 0 | 0 | 105.9 | ||||
| 683 | S | 28.1 | Very low | 36.8 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | cis | -153.4 | 158.9 | -3.4 | 49.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 684 | A | 31.5 | Very low | 37 | Very low | 90 Ų | 90 | 129.6 Ų | 129.6 | 74% | 0.744 | 80% | 0.797 | S | S | * | * | trans | -83.6 | -174.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 685 | P | 47.5 | Very low | 36.9 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | cis | -141.9 | -144.5 | 15.1 | 44.7 | -22 | 0 | 0 | 0 | 116.9 | ||||
| 686 | Y | 30.3 | Very low | 37 | Very low | 226 Ų | 226 | 133.8 Ų | 133.8 | 89% | 0.886 | 80% | 0.796 | S | S | * | * | trans | -88.7 | 172.9 | -156.4 | -95.5 | -109.2 | 0 | 0 | 0 | 116.5 | ||||
| 687 | P | 63.8 | Low | 37.7 | Very low | 107 Ų | 107 | 137.1 Ų | 137.1 | 70% | 0.695 | 81% | 0.808 | S | S | * | * | trans | -85.2 | -171.8 | -176.4 | 41.5 | -38.3 | 0 | 0 | 0 | 111.9 | ||||
| 688 | P | 56.2 | Low | 37.4 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | cis | -149.9 | -165.8 | 25 | 42.9 | -18.9 | 0 | 0 | 0 | 119.1 | ||||
| 689 | D | 26.5 | Very low | 36 | Very low | 147 Ų | 147 | 137.8 Ų | 137.8 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | trans | 103.9 | 154.4 | 144.6 | -147.6 | 24 | 0 | 0 | 0 | 121 | ||||
| 690 | V | 30.3 | Very low | 35 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | trans | 21.8 | 127.9 | 171 | 174.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 691 | G | 28.8 | Very low | 35.2 | Very low | 77 Ų | 77 | 140.7 Ų | 140.7 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | -176.3 | 123 | 158.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 692 | N | 33.4 | Very low | 35.4 | Very low | 163 Ų | 163 | 141.8 Ų | 141.8 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | -107.2 | 177.2 | 176.6 | -144.5 | -15.1 | 0 | 0 | 0 | 110.7 | ||||
| 693 | V | 31.2 | Very low | 35.6 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | 100.4 | 124.4 | 163.7 | -171.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 694 | M | 36.3 | Very low | 35.6 | Very low | 170 Ų | 170 | 143.6 Ų | 143.6 | 84% | 0.837 | 79% | 0.791 | S | S | * | * | trans | -52.2 | 160.1 | 175 | -61.2 | 133 | 144.8 | 0 | 0 | 117.8 | ||||
| 695 | K | 32.8 | Very low | 35.9 | Very low | 205 Ų | 205 | 148.4 Ų | 148.4 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | -163.4 | 130.9 | 124.4 | -100.2 | 141.9 | -171.5 | 172.9 | 0 | 113.8 | |||||
| 696 | T | 35.9 | Very low | 35.4 | Very low | 134 Ų | 134 | 147 Ų | 147 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -93.2 | 153.1 | 156.2 | 42.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 697 | P | 43.4 | Very low | 35.7 | Very low | 123 Ų | 123 | 147.7 Ų | 147.7 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | -137.9 | 163.3 | 88.1 | 21.8 | 0.7 | 0 | 0 | 0 | 112.5 | |||||
| 698 | M | 30.3 | Very low | 34.5 | Very low | 166 Ų | 166 | 149.4 Ų | 149.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | cis | 104.1 | 112.1 | 30.9 | -142.7 | -165.8 | 101.9 | 0 | 0 | 114.7 | ||||
| 699 | N | 27 | Very low | 33.5 | Very low | 129 Ų | 129 | 151.6 Ų | 151.6 | 69% | 0.69 | 80% | 0.795 | S | S | * | * | trans | 100.2 | 152.7 | 139.9 | -146.4 | 11.4 | 0 | 0 | 0 | 122.9 | ||||
| 700 | S | 30 | Very low | 33.9 | Very low | 102 Ų | 102 | 150.4 Ų | 150.4 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | trans | 67.6 | 136.5 | 171.4 | 65.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 701 | Q | 33.9 | Very low | 34.4 | Very low | 157 Ų | 157 | 149.5 Ų | 149.5 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | cis | 109.2 | 105.8 | 13.8 | -84.6 | -158.3 | 5.6 | 0 | 0 | 115 | ||||
| 702 | K | 33.9 | Very low | 34.9 | Very low | 161 Ų | 161 | 152 Ų | 152 | 70% | 0.7 | 80% | 0.797 | S | S | * | * | 159.3 | 132 | 116.8 | -91.9 | 158.1 | -174.3 | 169.1 | 0 | 116.9 | |||||
| 703 | R | 36.1 | Very low | 35.4 | Very low | 214 Ų | 214 | 153.2 Ų | 153.2 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | trans | 68.2 | 162.8 | 146.8 | -61.1 | 174.2 | 179.7 | 177.1 | -2.4 | 116.1 | ||||
| 704 | V | 29.5 | Very low | 36 | Very low | 137 Ų | 137 | 152.8 Ų | 152.8 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | cis | -136.3 | 168.8 | 24.4 | -177.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 705 | F | 36.6 | Very low | 36 | Very low | 190 Ų | 190 | 150.1 Ų | 150.1 | 83% | 0.833 | 80% | 0.796 | S | S | * | * | trans | -129.2 | 168.7 | -171.7 | -81.2 | -71 | 0 | 0 | 0 | 111.3 | ||||
| 706 | S | 37.1 | Very low | 36.5 | Very low | 97 Ų | 97 | 146.2 Ų | 146.2 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | cis | -168.1 | 160.2 | -8.3 | 43.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 707 | R | 36.5 | Very low | 36.8 | Very low | 241 Ų | 241 | 149.6 Ų | 149.6 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | trans | -157.1 | 150 | 157.6 | -78.9 | -155.8 | -178.9 | -166.9 | 0.6 | 111.7 | ||||
| 708 | L | 37.9 | Very low | 36.4 | Very low | 143 Ų | 143 | 147.5 Ų | 147.5 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | cis | -174.2 | 112.5 | -36.4 | -122.7 | 177.3 | 0 | 0 | 0 | 110.6 | ||||
| 709 | I | 35.4 | Very low | 36.9 | Very low | 168 Ų | 168 | 143.7 Ų | 143.7 | 86% | 0.862 | 80% | 0.801 | S | S | * | * | trans | -156.3 | 168.1 | 152.3 | 15.8 | 177.9 | 0 | 0 | 0 | 109.2 | ||||
| 710 | P | 36.2 | Very low | 37.2 | Very low | 121 Ų | 121 | 148.1 Ų | 148.1 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | trans | -105.9 | 178.8 | -131.3 | 41.5 | -37.4 | 0 | 0 | 0 | 116.7 | ||||
| 711 | S | 39.3 | Very low | 37.9 | Very low | 114 Ų | 114 | 149.5 Ų | 149.5 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 156.6 | -179.8 | -54.1 | 0 | 0 | 0 | 0 | 113.1 | ||
| 712 | P | 40.7 | Very low | 37.9 | Very low | 129 Ų | 129 | 145.2 Ų | 145.2 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 154.8 | 177.7 | 32.8 | -36.1 | 0 | 0 | 0 | 113.4 | ||
| 713 | E | 42.4 | Very low | 38.6 | Very low | 189 Ų | 189 | 146.2 Ų | 146.2 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -79 | 157.6 | 175.9 | -74.4 | -173.2 | 122 | 0 | 0 | 113.6 | ||
| 714 | P | 44.1 | Very low | 38.6 | Very low | 118 Ų | 118 | 144.8 Ų | 144.8 | 77% | 0.766 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 150.3 | 178.5 | 33.6 | -35.7 | 0 | 0 | 0 | 113.4 | ||
| 715 | S | 37.5 | Very low | 39.1 | Very low | 115 Ų | 115 | 144.3 Ų | 144.3 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -67 | 138.8 | 173.8 | -54 | 0 | 0 | 0 | 0 | 112.5 | ||
| 716 | P | 43.5 | Very low | 39.3 | Very low | 123 Ų | 123 | 144.7 Ų | 144.7 | 80% | 0.799 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 142.3 | 172.5 | 32.3 | -34 | 0 | 0 | 0 | 112.4 | ||
| 717 | E | 41.3 | Very low | 39 | Very low | 205 Ų | 205 | 143.7 Ų | 143.7 | 96% | 0.958 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -87 | 121.5 | 164.3 | -63.8 | 179.9 | 123.5 | 0 | 0 | 109.4 | ||
| 718 | G | 36.2 | Very low | 39.2 | Very low | 78 Ų | 78 | 141 Ų | 141 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | trans | 163.2 | 126.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 719 | G | 40.9 | Very low | 38.9 | Very low | 86 Ų | 86 | 138.1 Ų | 138.1 | 89% | 0.887 | 84% | 0.841 | S | S | * | * | trans | -84.8 | 139.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 720 | Y | 32.7 | Very low | 39 | Very low | 222 Ų | 222 | 133.7 Ų | 133.7 | 87% | 0.871 | 84% | 0.836 | S | S | * | * | trans | -135.8 | 144.9 | 163 | -163.3 | -98 | 0 | 0 | 0 | 110.1 | ||||
| 721 | V | 43.8 | Very low | 39.3 | Very low | 132 Ų | 132 | 136.3 Ų | 136.3 | 80% | 0.8 | 84% | 0.838 | S | S | * | * | trans | -99.9 | 124.3 | -172.6 | 178.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 722 | G | 35.2 | Very low | 39.2 | Very low | 66 Ų | 66 | 142.3 Ų | 142.3 | 68% | 0.68 | 85% | 0.845 | S | S | * | * | trans | -137 | 127.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 723 | Q | 47 | Very low | 39.1 | Very low | 182 Ų | 182 | 140.8 Ų | 140.8 | 85% | 0.85 | 84% | 0.843 | S | S | * | * | trans | -89.1 | 105.4 | -175 | -68.9 | -179.6 | -17.3 | 0 | 0 | 112.2 | ||||
| 724 | H | 36.7 | Very low | 38.9 | Very low | 185 Ų | 185 | 139.3 Ų | 139.3 | 86% | 0.856 | 84% | 0.841 | S | S | * | * | trans | -135.6 | 134.8 | 160.8 | -67.3 | -66.3 | 0 | 0 | 0 | 110.9 | ||||
| 725 | S | 39.3 | Very low | 38.7 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 89% | 0.888 | 84% | 0.841 | S | S | * | * | trans | -76.9 | 122.8 | -169.6 | 41.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 726 | Q | 41.3 | Very low | 38.7 | Very low | 198 Ų | 198 | 144.2 Ų | 144.2 | 93% | 0.925 | 85% | 0.845 | S | S | * | * | trans | -81.6 | 145.5 | 170.2 | -65 | -177.1 | -2.5 | 0 | 0 | 111.1 | ||||
| 727 | G | 31.7 | Very low | 38.6 | Very low | 76 Ų | 76 | 146.9 Ų | 146.9 | 78% | 0.784 | 85% | 0.852 | S | S | * | * | trans | -158.1 | 34.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 728 | L | 39.6 | Very low | 38.6 | Very low | 183 Ų | 183 | 147 Ų | 147 | 96% | 0.958 | 85% | 0.849 | S | S | * | * | trans | -137.9 | 138 | 177.2 | -74.4 | 172.6 | 0 | 0 | 0 | 110.4 | ||||
| 729 | G | 32.9 | Very low | 39 | Very low | 84 Ų | 84 | 154.7 Ų | 154.7 | 87% | 0.866 | 85% | 0.854 | S | S | * | * | trans | 171.9 | 13.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | H731 | G729-H731 PolarHBondContact O-N 3.38Š| ||
| 730 | G | 36.3 | Very low | 38.9 | Very low | 74 Ų | 74 | 160.7 Ų | 160.7 | 76% | 0.763 | 86% | 0.856 | S | S | * | * | trans | -97.7 | 52.7 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 731 | H | 43.3 | Very low | 39.2 | Very low | 177 Ų | 177 | 161.6 Ų | 161.6 | 82% | 0.819 | 86% | 0.857 | S | S | * | * | trans | -145.6 | 77.8 | 179.7 | -83.2 | -59.4 | 0 | 0 | 0 | 115.1 | G729 | G729-H731 PolarHBondContact O-N 3.38Š| ||
| 732 | Y | 37.6 | Very low | 39.1 | Very low | 239 Ų | 239 | 162.5 Ų | 162.5 | 94% | 0.937 | 86% | 0.857 | S | S | * | * | trans | -150.6 | 75 | 164.7 | -96.9 | -72.7 | 0 | 0 | 0 | 112.4 | ||||
| 733 | A | 39 | Very low | 39.4 | Very low | 98 Ų | 98 | 172.8 Ų | 172.8 | 81% | 0.81 | 88% | 0.883 | S | S | * | * | S | Bend | trans | -148.9 | -2.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 734 | D | 37.9 | Very low | 39 | Very low | 157 Ų | 157 | 172.4 Ų | 172.4 | 84% | 0.84 | 89% | 0.885 | S | S | * | * | S | Bend | trans | -117.5 | -10.4 | -171.2 | -97.3 | -53.9 | 0 | 0 | 0 | 116.6 | Y736 | D734-Y736 VanDerWaalsContact C-N 3.27Å; D734-Y736 PolarHBondContact O-N 3.23Å |
| 735 | S | 38.6 | Very low | 39.2 | Very low | 110 Ų | 110 | 171.7 Ų | 171.7 | 77% | 0.769 | 89% | 0.886 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -1.8 | -170.9 | -50.9 | 0 | 0 | 0 | 0 | 115.6 | ||
| 736 | Y | 38.4 | Very low | 39.2 | Very low | 227 Ų | 227 | 174.2 Ų | 174.2 | 89% | 0.89 | 89% | 0.886 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | -5 | -164.1 | -112 | -87.4 | 0 | 0 | 0 | 117.2 | D734 | D734-Y736 VanDerWaalsContact C-N 3.27Å; D734-Y736 PolarHBondContact O-N 3.23Å |
| 737 | L | 41.1 | Very low | 39 | Very low | 178 Ų | 178 | 172.8 Ų | 172.8 | 93% | 0.932 | 88% | 0.884 | S | S | * | * | S | Bend | trans | -104.9 | 4 | -177.6 | -83.1 | 170.7 | 0 | 0 | 0 | 115.7 | ||
| 738 | K | 40.7 | Very low | 39.5 | Very low | 209 Ų | 209 | 178.8 Ų | 178.8 | 91% | 0.909 | 89% | 0.89 | S | S | * | * | S | Bend | trans | -117.5 | 35.7 | -172.2 | -140.9 | 171.5 | -172.2 | 175.8 | 0 | 115.8 | ||
| 739 | R | 44.7 | Very low | 39.5 | Very low | 238 Ų | 238 | 178.5 Ų | 178.5 | 90% | 0.898 | 89% | 0.885 | S | S | * | * | trans | -143.1 | 69 | 172.4 | -162.9 | -174.8 | -66.3 | -177.9 | 0.8 | 114.1 | ||||
| 740 | K | 38.4 | Very low | 39.9 | Very low | 213 Ų | 213 | 185.3 Ų | 185.3 | 93% | 0.926 | 89% | 0.887 | S | S | * | * | trans | -163.4 | 78.6 | 157.6 | -118.2 | 172.7 | -175 | 179 | 0 | 114.2 | ||||
| 741 | R | 40.3 | Very low | 40.2 | Very low | 240 Ų | 240 | 193.8 Ų | 193.8 | 91% | 0.906 | 90% | 0.896 | S | S | * | * | trans | -159.4 | 155.8 | 151.9 | -149.8 | 171.6 | -68.6 | -178.3 | -0.3 | 108 | ||||
| 742 | I | 42.1 | Very low | 40 | Very low | 152 Ų | 152 | 195.3 Ų | 195.3 | 78% | 0.779 | 90% | 0.903 | S | S | * | * | trans | 74.6 | 78.4 | -161.6 | -47 | 166.5 | 0 | 0 | 0 | 111.4 | ||||
| 743 | F | 41.2 | Very low | 40.2 | Very low | 282 Ų | 282 | 191.3 Ų | 191.3 | 100% | 1.237 | 90% | 0.9 | S | S | * | * | -131.7 | 0 | 98.5 | -85.3 | -80.3 | 0 | 0 | 0 | 107.5 |
Retrieved 743 of 743 residues in 317.5 ms
(Link to these results)