| 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 | 37.7 | Very low | 35.7 | Very low | 254 Ų | 254 | 137.3 Ų | 137.3 | 100% | 1.251 | 85% | 0.849 | S | S | * | * | 0 | 106.1 | 0 | -65.7 | 166.1 | 168.1 | 0 | 0 | 105.8 | |||||
| 2 | G | 35.8 | Very low | 37 | Very low | 73 Ų | 73 | 137.3 Ų | 137.3 | 75% | 0.753 | 85% | 0.852 | S | S | * | * | cis | 116.1 | 123.9 | 28.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 3 | K | 37.1 | Very low | 36.6 | Very low | 203 Ų | 203 | 133.9 Ų | 133.9 | 88% | 0.883 | 85% | 0.847 | S | S | * | * | trans | 101 | 133.8 | 175.6 | -59.9 | -171 | 173.2 | 177.4 | 0 | 115.6 | ||||
| 4 | L | 31.5 | Very low | 36.2 | Very low | 146 Ų | 146 | 132.1 Ų | 132.1 | 76% | 0.764 | 85% | 0.85 | S | S | * | * | cis | -162.9 | 151.8 | -4.6 | -140 | 90.6 | 0 | 0 | 0 | 108.9 | ||||
| 5 | C | 32.6 | Very low | 35.8 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 79% | 0.791 | 84% | 0.844 | S | S | * | * | trans | -92.8 | 163 | 171.8 | -66.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 6 | L | 33 | Very low | 35.4 | Very low | 175 Ų | 175 | 127.1 Ų | 127.1 | 92% | 0.916 | 84% | 0.839 | S | S | * | * | trans | 171.8 | 133.3 | 146.9 | -94.1 | 142.8 | 0 | 0 | 0 | 106.4 | ||||
| 7 | G | 34.3 | Very low | 35.1 | Very low | 68 Ų | 68 | 129.5 Ų | 129.5 | 70% | 0.701 | 84% | 0.836 | S | S | * | * | cis | 158.9 | 165.1 | 9.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 8 | P | 57.2 | Low | 34.7 | Very low | 134 Ų | 134 | 130.3 Ų | 130.3 | 87% | 0.87 | 83% | 0.827 | S | S | * | * | trans | -120.2 | 178.3 | -153.6 | 40.2 | -26.8 | 0 | 0 | 0 | 116.3 | ||||
| 9 | A | 32.7 | Very low | 34.4 | Very low | 89 Ų | 89 | 128.4 Ų | 128.4 | 74% | 0.736 | 82% | 0.817 | S | S | * | * | trans | -169 | 118 | 155.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 10 | L | 30.6 | Very low | 34.2 | Very low | 180 Ų | 180 | 132.3 Ų | 132.3 | 94% | 0.942 | 82% | 0.815 | S | S | * | * | 51.9 | 123.4 | 77.2 | -72.4 | 161.2 | 0 | 0 | 0 | 112.7 | |||||
| 11 | G | 30.5 | Very low | 34 | Very low | 71 Ų | 71 | 132.7 Ų | 132.7 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | cis | 160.8 | -162.7 | 10.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 12 | P | 51.3 | Low | 33.5 | Very low | 137 Ų | 137 | 125.2 Ų | 125.2 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | -132.3 | -177.9 | -54.3 | 40.5 | -23.6 | 0 | 0 | 0 | 114.4 | |||||
| 13 | A | 31.1 | Very low | 33.2 | Very low | 94 Ų | 94 | 129.1 Ų | 129.1 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | trans | 143.4 | 103.9 | 145 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 14 | A | 31.2 | Very low | 33.4 | Very low | 108 Ų | 108 | 124.6 Ų | 124.6 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | 74.9 | 131.3 | 94.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 15 | A | 30.7 | Very low | 33.1 | Very low | 93 Ų | 93 | 126.6 Ų | 126.6 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | cis | -156.4 | 147.7 | 25.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 16 | A | 29.6 | Very low | 32.9 | Very low | 91 Ų | 91 | 130.1 Ų | 130.1 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | 49.1 | 134.1 | 112.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 17 | E | 29.2 | Very low | 32.5 | Very low | 169 Ų | 169 | 128.8 Ų | 128.8 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | cis | -168.6 | 136.6 | 33.2 | -131.5 | 167 | 95.2 | 0 | 0 | 107.1 | ||||
| 18 | E | 28.1 | Very low | 32.2 | Very low | 144 Ų | 144 | 132.5 Ų | 132.5 | 67% | 0.673 | 77% | 0.767 | S | S | * | * | 73.3 | 126.3 | 109.5 | -164.4 | 148.1 | 178 | 0 | 0 | 115 | |||||
| 19 | S | 28.9 | Very low | 30.7 | Very low | 93 Ų | 93 | 134.4 Ų | 134.4 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | cis | -171.3 | 139.7 | 38.5 | 31.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 20 | R | 30.4 | Very low | 30.4 | Very low | 206 Ų | 206 | 135.9 Ų | 135.9 | 78% | 0.777 | 77% | 0.773 | S | S | * | * | 57.2 | 134.9 | 109.8 | -61 | -171.8 | -160.2 | 166 | 10.9 | 115.8 | |||||
| 21 | D | 29.4 | Very low | 30.2 | Very low | 141 Ų | 141 | 133.4 Ų | 133.4 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | cis | -157.6 | 130.2 | 15.9 | -85 | -41.7 | 0 | 0 | 0 | 106.9 | ||||
| 22 | A | 28.7 | Very low | 30 | Very low | 97 Ų | 97 | 133.2 Ų | 133.2 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | 71.4 | 112.4 | 87 | 0 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 23 | E | 28.1 | Very low | 28.8 | Very low | 155 Ų | 155 | 138.2 Ų | 138.2 | 72% | 0.724 | 77% | 0.77 | S | S | * | * | trans | -38.2 | -176.8 | 155.8 | -110.3 | -179.6 | 110.3 | 0 | 0 | 116.2 | R25 | E23-R25 IonicContact OE1-NE 3.64Š| ||
| 24 | P | 41.8 | Very low | 29.3 | Very low | 109 Ų | 109 | 138.6 Ų | 138.6 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | cis | -146.3 | 165.9 | 21 | 24.5 | 3.7 | 0 | 0 | 0 | 120.1 | ||||
| 25 | R | 26.4 | Very low | 29 | Very low | 188 Ų | 188 | 143.9 Ų | 143.9 | 71% | 0.709 | 76% | 0.761 | S | S | * | * | trans | 33.9 | 129.9 | 132.3 | -60.7 | -173.7 | 173.6 | -157.6 | -1.5 | 124 | E23 | E23-R25 IonicContact OE1-NE 3.64Š| ||
| 26 | R | 26.9 | Very low | 28.9 | Very low | 191 Ų | 191 | 145.5 Ų | 145.5 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | 81 | 129.5 | 118.8 | -79.8 | -168.3 | 177.9 | -162.4 | 0.2 | 123.4 | |||||
| 27 | E | 25.1 | Very low | 28.8 | Very low | 146 Ų | 146 | 151.5 Ų | 151.5 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | trans | 91.6 | 122.2 | 132.7 | -74.9 | -169.2 | 158.4 | 0 | 0 | 122.2 | ||||
| 28 | L | 29 | Very low | 28.8 | Very low | 146 Ų | 146 | 154.4 Ų | 154.4 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | trans | 33.2 | 126.8 | 136.2 | -75.4 | 133 | 0 | 0 | 0 | 119.6 | ||||
| 29 | L | 24.6 | Very low | 29 | Very low | 174 Ų | 174 | 153.4 Ų | 153.4 | 91% | 0.911 | 77% | 0.773 | S | S | * | * | 179.8 | 143.3 | 113.8 | -98.7 | 146.9 | 0 | 0 | 0 | 113.6 | |||||
| 30 | C | 26.3 | Very low | 29.2 | Very low | 120 Ų | 120 | 153.8 Ų | 153.8 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | -69.7 | 146.6 | 170.3 | -74 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 31 | S | 27.7 | Very low | 29.3 | Very low | 129 Ų | 129 | 149 Ų | 149 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | 165.7 | 148.8 | 144.1 | 50.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 32 | G | 25.9 | Very low | 29.7 | Very low | 67 Ų | 67 | 153.6 Ų | 153.6 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | cis | 145.6 | 78.1 | 8.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 33 | R | 25.5 | Very low | 30.2 | Very low | 242 Ų | 242 | 156 Ų | 156 | 91% | 0.913 | 80% | 0.798 | S | S | * | * | trans | 54.6 | -177.9 | 161.7 | -57.2 | -170.5 | -171.7 | -137 | 1.8 | 117.2 | ||||
| 34 | P | 42.8 | Very low | 30.7 | Very low | 101 Ų | 101 | 153.9 Ų | 153.9 | 66% | 0.656 | 80% | 0.796 | S | S | * | * | cis | -135 | 170.2 | -18.2 | 13.4 | 13.1 | 0 | 0 | 0 | 116.5 | ||||
| 35 | W | 24.9 | Very low | 30.7 | Very low | 219 Ų | 219 | 154.2 Ų | 154.2 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | trans | 66.8 | 127.9 | 141.7 | -69 | 29.6 | 0 | 0 | 0 | 119.5 | ||||
| 36 | T | 28.4 | Very low | 31.2 | Very low | 128 Ų | 128 | 154.1 Ų | 154.1 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | -170.7 | 167.2 | 63.4 | 38.6 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 37 | W | 26.8 | Very low | 31.9 | Very low | 216 Ų | 216 | 152.2 Ų | 152.2 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -60.4 | 154.2 | -170.6 | -62.8 | 76.6 | 0 | 0 | 0 | 120 | ||||
| 38 | R | 28.2 | Very low | 32.9 | Very low | 231 Ų | 231 | 150.4 Ų | 150.4 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | -169.5 | 126 | 120 | -101.5 | 170.3 | -150.6 | -115 | 5.2 | 113.4 | |||||
| 39 | T | 33.4 | Very low | 33.5 | Very low | 122 Ų | 122 | 154.9 Ų | 154.9 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | trans | 53.3 | 108.3 | 143.7 | 55.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 40 | A | 32.6 | Very low | 34.6 | Very low | 101 Ų | 101 | 152.7 Ų | 152.7 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | 80.1 | 106.9 | 71 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 41 | A | 33.8 | Very low | 35.4 | Very low | 107 Ų | 107 | 155 Ų | 155 | 88% | 0.884 | 81% | 0.813 | S | S | * | * | trans | -166.8 | 120.7 | 138.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 42 | R | 37 | Very low | 36.2 | Very low | 237 Ų | 237 | 156.5 Ų | 156.5 | 89% | 0.894 | 81% | 0.81 | S | S | * | * | trans | -80.2 | 141.3 | 168.5 | -73.5 | 170.6 | 168.4 | 172 | -5 | 109.3 | ||||
| 43 | V | 38.7 | Very low | 37.1 | Very low | 148 Ų | 148 | 158.3 Ų | 158.3 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | trans | -143.9 | 122.7 | 137.9 | -178 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 44 | T | 40 | Very low | 37.9 | Very low | 110 Ų | 110 | 153.1 Ų | 153.1 | 68% | 0.675 | 82% | 0.817 | S | S | * | * | trans | -90.4 | 163.8 | 179.9 | 29.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 45 | T | 39.9 | Very low | 37.7 | Very low | 116 Ų | 116 | 152.5 Ų | 152.5 | 71% | 0.712 | 82% | 0.821 | S | S | * | * | trans | 86 | 114.3 | 157 | 68.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 46 | M | 37.3 | Very low | 38.5 | Very low | 186 Ų | 186 | 150.1 Ų | 150.1 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | -163.9 | 132.5 | 117.8 | -87.6 | -55.1 | 156.1 | 0 | 0 | 109.5 | |||||
| 47 | I | 42.9 | Very low | 39.5 | Very low | 150 Ų | 150 | 149.9 Ų | 149.9 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | trans | -92.3 | 155.8 | -169.5 | -76.3 | 169.5 | 0 | 0 | 0 | 110 | ||||
| 48 | P | 46.3 | Very low | 39.8 | Very low | 108 Ų | 108 | 146.1 Ų | 146.1 | 70% | 0.701 | 83% | 0.83 | S | S | * | * | trans | -89.6 | 134.8 | -150.9 | 33.9 | -30.1 | 0 | 0 | 0 | 114.7 | V50 | P48-V50 PolarHBondContact O-N 3.38Š| ||
| 49 | W | 40.8 | Very low | 40.7 | Very low | 240 Ų | 240 | 140.1 Ų | 140.1 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | trans | -92.7 | 46.1 | 176.9 | -86 | 70.3 | 0 | 0 | 0 | 113.3 | ||||
| 50 | V | 46.7 | Very low | 41 | Very low | 128 Ų | 128 | 138.5 Ų | 138.5 | 78% | 0.776 | 83% | 0.828 | S | S | * | * | trans | -117.6 | 6.4 | -179 | -171.5 | 0 | 0 | 0 | 0 | 112.9 | P48 | P48-V50 PolarHBondContact O-N 3.38Š| ||
| 51 | L | 44.7 | Very low | 41.5 | Very low | 169 Ų | 169 | 140.9 Ų | 140.9 | 89% | 0.885 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -121.6 | 45.9 | 177.6 | -68.2 | 174.8 | 0 | 0 | 0 | 113 | ||
| 52 | L | 44.8 | Very low | 42.2 | Very low | 161 Ų | 161 | 141.5 Ų | 141.5 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | trans | -143.7 | 51.9 | 171.8 | -141.4 | 93 | 0 | 0 | 0 | 112.5 | ||||
| 53 | A | 43.1 | Very low | 42.7 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | trans | -128.7 | 31.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 54 | C | 42.8 | Very low | 43 | Very low | 133 Ų | 133 | 139.8 Ų | 139.8 | 90% | 0.899 | 82% | 0.824 | S | S | * | * | trans | -109.2 | 88.9 | 166.5 | -80.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 55 | A | 39.3 | Very low | 43.1 | Very low | 89 Ų | 89 | 138.4 Ų | 138.4 | 74% | 0.736 | 83% | 0.832 | S | S | * | * | trans | 166.2 | 105.3 | 145.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 56 | L | 40.2 | Very low | 43.3 | Very low | 169 Ų | 169 | 137.4 Ų | 137.4 | 89% | 0.885 | 84% | 0.835 | S | S | * | * | 173.3 | 131.8 | 114.9 | -88.2 | 165.5 | 0 | 0 | 0 | 109.8 | |||||
| 57 | P | 49.6 | Very low | 43.7 | Very low | 122 Ų | 122 | 138.4 Ų | 138.4 | 79% | 0.792 | 83% | 0.834 | S | S | * | * | trans | -89.9 | 142.2 | -179 | 35.4 | -29.8 | 0 | 0 | 0 | 110.8 | ||||
| 58 | C | 34.7 | Very low | 43.7 | Very low | 138 Ų | 138 | 135.8 Ų | 135.8 | 93% | 0.932 | 84% | 0.835 | S | S | * | * | trans | -139.2 | 125.8 | 164.5 | -130.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 59 | A | 47.1 | Very low | 43.5 | Very low | 105 Ų | 105 | 141 Ų | 141 | 87% | 0.868 | 84% | 0.841 | S | S | * | * | trans | -80.1 | 131.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 60 | A | 39.4 | Very low | 43.2 | Very low | 88 Ų | 88 | 140.8 Ų | 140.8 | 73% | 0.727 | 84% | 0.84 | S | S | * | * | trans | 177.9 | 127.5 | 157 | 0 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 61 | D | 42.6 | Very low | 42.8 | Very low | 150 Ų | 150 | 140.5 Ų | 140.5 | 80% | 0.802 | 83% | 0.834 | S | S | * | * | cis | -160.6 | 144.3 | 35.1 | -86.3 | -56.5 | 0 | 0 | 0 | 108.9 | ||||
| 62 | P | 47.6 | Very low | 42.4 | Very low | 121 Ų | 121 | 141 Ų | 141 | 79% | 0.786 | 83% | 0.83 | S | S | * | * | trans | -110.1 | 69.1 | 169.6 | 38.2 | -26.9 | 0 | 0 | 0 | 111.2 | ||||
| 63 | L | 48.6 | Very low | 42.3 | Very low | 165 Ų | 165 | 144.5 Ų | 144.5 | 86% | 0.864 | 83% | 0.831 | S | S | * | * | trans | -145.4 | 42.7 | 173.8 | -79.9 | -177.4 | 0 | 0 | 0 | 114.7 | ||||
| 64 | L | 44.7 | Very low | 42.1 | Very low | 183 Ų | 183 | 148.1 Ų | 148.1 | 96% | 0.958 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -148.9 | 32 | 169.4 | -106 | 154.1 | 0 | 0 | 0 | 113.5 | ||
| 65 | G | 42.8 | Very low | 42 | Very low | 82 Ų | 82 | 144.6 Ų | 144.6 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | -115.3 | 22.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 66 | A | 44.1 | Very low | 42.1 | Very low | 94 Ų | 94 | 144.9 Ų | 144.9 | 78% | 0.777 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -111.6 | 13.3 | -173 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 67 | F | 44.2 | Very low | 42.4 | Very low | 207 Ų | 207 | 141.9 Ų | 141.9 | 91% | 0.908 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -136.7 | 26.3 | -177.7 | -113.9 | -88.3 | 0 | 0 | 0 | 115.9 | ||
| 68 | A | 43.9 | Very low | 42.3 | Very low | 95 Ų | 95 | 144.5 Ų | 144.5 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -147.7 | 54.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 69 | R | 42.9 | Very low | 43 | Very low | 218 Ų | 218 | 144 Ų | 144 | 82% | 0.823 | 79% | 0.79 | S | S | * | * | trans | -141.2 | 73.8 | 151.7 | -89.5 | -167.8 | -176.6 | 166.7 | 0.4 | 109 | D71 | R69-D71 PolarHBondContact O-N 3.48Š| ||
| 70 | R | 34.6 | Very low | 43.1 | Very low | 236 Ų | 236 | 144.7 Ų | 144.7 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | trans | -81.8 | 82.7 | 143.2 | -83.8 | -176 | 177 | 140.9 | -0.6 | 105.6 | F72 | R70-F72 PolarHBondContact O-N 3.36Š| ||
| 71 | D | 36.8 | Very low | 44 | Very low | 121 Ų | 121 | 143.1 Ų | 143.1 | 65% | 0.647 | 77% | 0.767 | S | S | * | * | trans | -57.3 | 95.4 | 153.7 | -77.6 | -42.4 | 0 | 0 | 0 | 105.4 | R69 R73 | R69-D71 PolarHBondContact O-N 3.48Å; D71-R73 PolarHBondContact O-N 3.48Å | ||
| 72 | F | 37.4 | Very low | 44.8 | Very low | 181 Ų | 181 | 139.2 Ų | 139.2 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | trans | -66.2 | 83.8 | 161.7 | -147.3 | -91.3 | 0 | 0 | 0 | 104.2 | R70 K74 | R70-F72 PolarHBondContact O-N 3.36Å; F72-K74 HydrophobicContact CD1-CB 4.19Å; F72-K74 PolarHBondContact O-N 2.65Å | ||
| 73 | R | 41.1 | Very low | 45.6 | Very low | 234 Ų | 234 | 140.4 Ų | 140.4 | 88% | 0.883 | 75% | 0.75 | S | S | * | * | trans | -61.2 | 81.2 | 156.8 | -84.3 | -171.8 | 174.6 | -167.4 | -1 | 104.9 | D71 G75 | D71-R73 PolarHBondContact O-N 3.48Å; R73-G75 PolarHBondContact O-N 3.3Å | ||
| 74 | K | 39.7 | Very low | 46.7 | Very low | 179 Ų | 179 | 136 Ų | 136 | 78% | 0.778 | 73% | 0.732 | S | S | * | * | trans | -56.1 | 102 | 161.8 | -160.1 | 172.5 | -172.2 | 179.2 | 0 | 102.7 | F72 S76 | F72-K74 HydrophobicContact CD1-CB 4.19Å; F72-K74 PolarHBondContact O-N 2.65Å; K74-S76 PolarHBondContact O-N 3.46Å | ||
| 75 | G | 40 | Very low | 47.8 | Very low | 60 Ų | 60 | 128.8 Ų | 128.8 | 62% | 0.619 | 70% | 0.701 | S | S | * | * | trans | -49 | 115.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | R73 P77 | R73-G75 PolarHBondContact O-N 3.3Å; G75-P77 VanDerWaalsContact O-N 3.14Å | ||
| 76 | S | 42.6 | Very low | 49.2 | Very low | 95 Ų | 95 | 131 Ų | 131 | 66% | 0.664 | 70% | 0.701 | S | S | * | * | trans | -41.2 | 124.1 | 152.6 | 36.8 | 0 | 0 | 0 | 0 | 105.3 | K74 Q78 | K74-S76 PolarHBondContact O-N 3.46Å; S76-Q78 VanDerWaalsContact C-N 3.33Å; S76-Q78 PolarHBondContact O-N 3.49Å | ||
| 77 | P | 47 | Very low | 50.8 | Low | 105 Ų | 105 | 130.7 Ų | 130.7 | 68% | 0.682 | 68% | 0.683 | S | S | * | * | trans | -53.3 | 111.2 | 175 | 22.7 | -31 | 0 | 0 | 0 | 104.8 | G75 L79 | G75-P77 VanDerWaalsContact O-N 3.14Å; P77-L79 PolarHBondContact O-N 3.5Å | ||
| 78 | Q | 46.3 | Very low | 52.2 | Low | 178 Ų | 178 | 122 Ų | 122 | 83% | 0.832 | 65% | 0.652 | S | S | * | * | trans | -66.4 | 89.7 | 166 | -77.8 | -166.6 | -1.7 | 0 | 0 | 102.9 | S76 V80 | S76-Q78 VanDerWaalsContact C-N 3.33Å; S76-Q78 PolarHBondContact O-N 3.49Å; Q78-V80 PolarHBondContact O-N 3.49Å | ||
| 79 | L | 50.5 | Low | 53.6 | Low | 127 Ų | 127 | 123 Ų | 123 | 67% | 0.665 | 65% | 0.65 | S | S | * | * | trans | -60 | 102.9 | 166.7 | -68.2 | 171.5 | 0 | 0 | 0 | 103.5 | P77 C81 | P77-L79 PolarHBondContact O-N 3.5Å; L79-C81 PolarHBondContact O-N 3.04Å | ||
| 80 | V | 49.2 | Very low | 55.3 | Low | 119 Ų | 119 | 115 Ų | 115 | 72% | 0.721 | 63% | 0.627 | S | S | * | * | trans | -61.1 | 109.1 | -178.7 | 174.7 | 0 | 0 | 0 | 0 | 105.9 | Q78 | Q78-V80 PolarHBondContact O-N 3.49Š| ||
| 81 | C | 56.8 | Low | 57.2 | Low | 56 Ų | 56 | 105 Ų | 105 | 38% | 0.378 | 60% | 0.597 | S | S | . | * | trans | -50.8 | 150.2 | 168.7 | -77.7 | 0 | 0 | 0 | 0 | 110.6 | L79 L83 C186 | L79-C81 PolarHBondContact O-N 3.04Å; C81-L83 PolarHBondContact O-N 3.42Å; C81-C186 WeakPolarHBondContact CA-SG 2.89Å; C81-C186 HydrophobicContact CB-CB 3.8Å; C81-C186 WeakPolarHBondContact CB-SG 3.44Å; C81-C186 WeakPolarHBondContact SG-CB 2.92Å; C81-C186 CovalentContact SG-SG 2.02Å; C81-C186 PolarHBondContact SG-SG 2.77Å | ||
| 82 | S | 60.3 | Low | 59 | Low | 68 Ų | 68 | 104.7 Ų | 104.7 | 48% | 0.476 | 60% | 0.602 | S | S | . | * | trans | -43.2 | 114.9 | 175.4 | 37.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 83 | L | 63.8 | Low | 60.9 | Low | 146 Ų | 146 | 98.6 Ų | 98.6 | 76% | 0.764 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 142.3 | 176.7 | -74.1 | 159.3 | 0 | 0 | 0 | 109 | C81 G85 | C81-L83 PolarHBondContact O-N 3.42Å; L83-G85 PolarHBondContact O-N 2.84Å |
| 84 | P | 71.9 | Confident | 62.3 | Low | 73 Ų | 73 | 89 Ų | 89 | 47% | 0.474 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -47.1 | 137.6 | 173 | -24.4 | 30.1 | 0 | 0 | 0 | 111 | P183 | P84-P183 HydrophobicContact CG-CG 4.26Š|
| 85 | G | 68 | Low | 64 | Low | 31 Ų | 31 | 84.6 Ų | 84.6 | 32% | 0.32 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -57.7 | 146.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L83 G181 | L83-G85 PolarHBondContact O-N 2.84Å; G85-G181 PolarHBondContact O-N 2.72Å |
| 86 | P | 71.1 | Confident | 65.7 | Low | 129 Ų | 129 | 85.9 Ų | 85.9 | 84% | 0.838 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 147.6 | -178 | 26.5 | -34.8 | 0 | 0 | 0 | 110.8 | G88 | P86-G88 PolarHBondContact O-N 2.92Š|
| 87 | Q | 78.6 | Confident | 67 | Low | 86 Ų | 86 | 82.7 Ų | 82.7 | 40% | 0.402 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 129.9 | -178 | -164.7 | 177.3 | 14.3 | 0 | 0 | 111.6 | K177 G178 | Q87-K177 HydrophobicContact CG-CD 3.94Å; Q87-K177 HydrophobicContact CG-CG 3.87Å; Q87-G178 WeakPolarHBondContact CG-O 3.2Å; Q87-G178 PolarHBondContact NE2-O 3.43Å |
| 88 | G | 73.8 | Confident | 68.2 | Low | 25 Ų | 25 | 83.6 Ų | 83.6 | 26% | 0.258 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 151.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | P86 K177 | P86-G88 PolarHBondContact O-N 2.92Å; G88-K177 VanDerWaalsContact O-CG 3.25Å; G88-K177 WeakPolarHBondContact O-CG 3.35Å |
| 89 | P | 74.1 | Confident | 69.5 | Low | 115 Ų | 115 | 78.3 Ų | 78.3 | 75% | 0.747 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 152.6 | -179.8 | 27.7 | -34.5 | 0 | 0 | 0 | 111.2 | ||
| 90 | P | 78.1 | Confident | 70.3 | Confident | 52 Ų | 52 | 73.8 Ų | 73.8 | 34% | 0.338 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 139.5 | 177.7 | -11.4 | 24.7 | 0 | 0 | 0 | 111.3 | K174 K177 | P90-K174 HydrophobicContact CB-CD 3.98Å; P90-K174 HydrophobicContact CB-CG 4.33Å; P90-K177 HydrophobicContact CG-CG 4.31Å |
| 91 | G | 74.8 | Confident | 71.2 | Confident | 26 Ų | 26 | 76.8 Ų | 76.8 | 27% | 0.268 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 156 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | K174 G175 | G91-K174 WeakPolarHBondContact O-CG 3.47Å; G91-G175 PolarHBondContact O-N 3.5Å |
| 92 | P | 73 | Confident | 71.9 | Confident | 114 Ų | 114 | 79.6 Ų | 79.6 | 74% | 0.74 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 152.5 | 179 | 26.8 | -34.1 | 0 | 0 | 0 | 111.1 | ||
| 93 | P | 77.8 | Confident | 72.1 | Confident | 53 Ų | 53 | 78.1 Ų | 78.1 | 34% | 0.344 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 142.9 | 177.9 | -9.6 | 23.3 | 0 | 0 | 0 | 111.3 | K171 | P93-K171 HydrophobicContact CB-CD 4.04Å; P93-K171 HydrophobicContact CB-CG 4.39Å |
| 94 | G | 71.6 | Confident | 72.2 | Confident | 33 Ų | 33 | 82.8 Ų | 82.8 | 34% | 0.34 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 154.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | K171 G172 P173 | G94-K171 WeakPolarHBondContact O-CG 3.12Å; G94-G172 PolarHBondContact O-N 3.22Å; G94-P173 PolarHBondContact N-O 3.48Å |
| 95 | A | 74.6 | Confident | 72 | Confident | 86 Ų | 86 | 84.6 Ų | 84.6 | 71% | 0.711 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 152.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 96 | P | 76.6 | Confident | 71.8 | Confident | 87 Ų | 87 | 85 Ų | 85 | 57% | 0.565 | 53% | 0.531 | S | S | * | . | B | Isolated β-bridge | trans | -56.1 | 141.9 | 171.7 | -22.6 | 33.8 | 0 | 0 | 0 | 111.7 | ||
| 97 | G | 69.8 | Low | 71.5 | Confident | 28 Ų | 28 | 88.2 Ų | 88.2 | 29% | 0.289 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 156.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G169 | G97-G169 PolarHBondContact O-N 2.77Š|
| 98 | P | 70.6 | Confident | 71 | Confident | 123 Ų | 123 | 87.3 Ų | 87.3 | 80% | 0.799 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 149.7 | 179.2 | 26.9 | -34.5 | 0 | 0 | 0 | 111.5 | ||
| 99 | S | 73.9 | Confident | 70.4 | Confident | 68 Ų | 68 | 88 Ų | 88 | 48% | 0.476 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -62 | 142.2 | 176.1 | -64.1 | 0 | 0 | 0 | 0 | 111.5 | ||
| 100 | G | 67.5 | Low | 70 | Confident | 32 Ų | 32 | 92 Ų | 92 | 33% | 0.33 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 141.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G166 | G100-G166 PolarHBondContact O-N 3.16Š|
| 101 | M | 67.8 | Low | 69.6 | Low | 181 Ų | 181 | 92.6 Ų | 92.6 | 89% | 0.892 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 147.2 | 179.7 | -67.2 | 178 | 69.2 | 0 | 0 | 112 | G103 | M101-G103 PolarHBondContact O-N 3.25Š|
| 102 | M | 71.5 | Confident | 69 | Low | 115 Ų | 115 | 93.2 Ų | 93.2 | 57% | 0.567 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 133 | 177.1 | -170.6 | 165.8 | 58.9 | 0 | 0 | 111.3 | P162 G163 | M102-P162 HydrophobicContact SD-CB 4.32Å; M102-G163 WeakPolarHBondContact CG-O 3.44Å |
| 103 | G | 65.6 | Low | 68.5 | Low | 37 Ų | 37 | 96.7 Ų | 96.7 | 38% | 0.381 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -61 | 145.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | M101 G163 | M101-G103 PolarHBondContact O-N 3.25Å; G103-G163 PolarHBondContact O-N 3.22Å |
| 104 | R | 65.2 | Low | 68 | Low | 244 Ų | 244 | 99.9 Ų | 99.9 | 92% | 0.921 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 143.4 | 179 | -69.8 | -173.7 | 178.1 | -167.4 | -0.5 | 110.9 | ||
| 105 | M | 68.3 | Low | 67.5 | Low | 111 Ų | 111 | 100.4 Ų | 100.4 | 55% | 0.547 | 58% | 0.579 | S | S | . | * | P | Polyproline II helix | trans | -59.2 | 138.1 | 176.5 | -169.2 | -179.6 | -67.9 | 0 | 0 | 110.5 | G160 P162 | M105-G160 WeakPolarHBondContact CG-O 3.45Å; M105-P162 HydrophobicContact CE-CG 4.45Å |
| 106 | G | 62.8 | Low | 66.8 | Low | 39 Ų | 39 | 105.5 Ų | 105.5 | 40% | 0.402 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -63 | 148.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 107 | F | 64.7 | Low | 66.2 | Low | 197 Ų | 197 | 107.8 Ų | 107.8 | 86% | 0.864 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 145.5 | 178 | -69.5 | -78.5 | 0 | 0 | 0 | 111.4 | ||
| 108 | P | 68.3 | Low | 65.7 | Low | 68 Ų | 68 | 109 Ų | 109 | 44% | 0.442 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -58.9 | 146.7 | 176.2 | -20.9 | 31.9 | 0 | 0 | 0 | 112 | N159 | P108-N159 WeakPolarHBondContact CG-OD1 3.32Š|
| 109 | G | 62.8 | Low | 65.2 | Low | 38 Ų | 38 | 111 Ų | 111 | 39% | 0.392 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -59.2 | 149.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 110 | K | 63.9 | Low | 64.5 | Low | 201 Ų | 201 | 119.1 Ų | 119.1 | 87% | 0.874 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 143.5 | 175.4 | -65.5 | -175.9 | 178.3 | -179 | 0 | 110.2 | ||
| 111 | D | 70.2 | Confident | 64.1 | Low | 63 Ų | 63 | 120.8 Ų | 120.8 | 34% | 0.337 | 65% | 0.65 | S | S | . | * | P | Polyproline II helix | trans | -64.8 | 148.5 | 178.7 | -63.6 | -19.8 | 0 | 0 | 0 | 111.4 | R153 K156 | D111-R153 IonicContact OD2-CZ 3.65Å; D111-R153 IonicContact OD2-NH2 2.65Å; D111-R153 PolarHBondContact OD2-NH2 3.34Å; D111-K156 VanDerWaalsContact OD1-CG 3.32Å; D111-K156 WeakPolarHBondContact OD1-CG 3.02Å |
| 112 | G | 61.8 | Low | 63.6 | Low | 39 Ų | 39 | 120.2 Ų | 120.2 | 40% | 0.402 | 65% | 0.65 | S | S | . | * | P | Polyproline II helix | trans | -62.6 | 149 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 113 | Q | 63.1 | Low | 63 | Low | 188 Ų | 188 | 120.5 Ų | 120.5 | 88% | 0.879 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 149 | 174.6 | -71.5 | -176.8 | 4.4 | 0 | 0 | 111 | ||
| 114 | D | 67.8 | Low | 62.5 | Low | 120 Ų | 120 | 122.5 Ų | 122.5 | 64% | 0.642 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 145.7 | 177.9 | -65 | -32 | 0 | 0 | 0 | 111 | ||
| 115 | G | 60.2 | Low | 62.2 | Low | 44 Ų | 44 | 120.4 Ų | 120.4 | 45% | 0.454 | 69% | 0.685 | S | S | . | * | P | Polyproline II helix | trans | -69.7 | 147.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 116 | Q | 60.5 | Low | 61.7 | Low | 193 Ų | 193 | 124.4 Ų | 124.4 | 90% | 0.902 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 148.2 | 175.5 | -72.3 | -176.4 | 1.9 | 0 | 0 | 111.7 | ||
| 117 | D | 64.3 | Low | 61.2 | Low | 134 Ų | 134 | 125.4 Ų | 125.4 | 72% | 0.717 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 141.8 | 178.9 | -66.4 | -30.9 | 0 | 0 | 0 | 111.5 | ||
| 118 | G | 58.9 | Low | 60.8 | Low | 53 Ų | 53 | 121.9 Ų | 121.9 | 55% | 0.546 | 71% | 0.71 | S | S | . | * | P | Polyproline II helix | trans | -75.8 | 150.1 | -180 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 119 | D | 59.4 | Low | 60.2 | Low | 166 Ų | 166 | 124.9 Ų | 124.9 | 89% | 0.888 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 150.1 | -179.3 | -69.9 | -42.8 | 0 | 0 | 0 | 113.7 | G121 | D119-G121 PolarHBondContact O-N 3.14Š|
| 120 | R | 60.6 | Low | 59.4 | Low | 238 Ų | 238 | 126.7 Ų | 126.7 | 90% | 0.898 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 125.4 | -176.7 | -170.1 | 178.9 | -168.9 | 166.5 | 3.2 | 110.9 | ||
| 121 | G | 58.8 | Low | 58.6 | Low | 68 Ų | 68 | 128.3 Ų | 128.3 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 145.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | D119 | D119-G121 PolarHBondContact O-N 3.14Š|
| 122 | D | 57.1 | Low | 57.1 | Low | 168 Ų | 168 | 131.5 Ų | 131.5 | 90% | 0.898 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 155 | -179 | -71.4 | -43 | 0 | 0 | 0 | 113.8 | ||
| 123 | S | 57.9 | Low | 56.1 | Low | 122 Ų | 122 | 133 Ų | 133 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 133.9 | -176.6 | -65.5 | 0 | 0 | 0 | 0 | 112 | ||
| 124 | G | 56.8 | Low | 55.1 | Low | 79 Ų | 79 | 132.1 Ų | 132.1 | 81% | 0.814 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 140.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 125 | E | 58.1 | Low | 54 | Low | 199 Ų | 199 | 138.5 Ų | 138.5 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 151.2 | 178.2 | -67.5 | -175.1 | 149.5 | 0 | 0 | 113.2 | ||
| 126 | E | 58.7 | Low | 53.5 | Low | 195 Ų | 195 | 139.6 Ų | 139.6 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 134.9 | -174.9 | -163.9 | 169 | -166.1 | 0 | 0 | 111.9 | ||
| 127 | G | 51.8 | Low | 52.8 | Low | 60 Ų | 60 | 140.2 Ų | 140.2 | 62% | 0.619 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -67 | 146.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 128 | P | 56.7 | Low | 52.4 | Low | 124 Ų | 124 | 140 Ų | 140 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 150.8 | -175.6 | 24.5 | -32.9 | 0 | 0 | 0 | 113.3 | ||
| 129 | P | 54.3 | Low | 52.2 | Low | 130 Ų | 130 | 140.6 Ų | 140.6 | 84% | 0.844 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 132 | -169.4 | -14.7 | 29.8 | 0 | 0 | 0 | 113.6 | ||
| 130 | G | 47.3 | Very low | 52 | Low | 76 Ų | 76 | 139.1 Ų | 139.1 | 78% | 0.784 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 131.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 131 | R | 45.7 | Very low | 51.9 | Low | 236 Ų | 236 | 137.6 Ų | 137.6 | 89% | 0.891 | 83% | 0.825 | S | S | * | * | trans | -153.9 | 136.6 | 172.1 | -106.6 | -179 | 136.8 | 171 | -3.8 | 108.5 | ||||
| 132 | T | 39.5 | Very low | 51.9 | Low | 130 Ų | 130 | 137.8 Ų | 137.8 | 80% | 0.798 | 83% | 0.826 | S | S | * | * | S | Bend | cis | -148.9 | 135.1 | 0.7 | -47.3 | 0 | 0 | 0 | 0 | 110.5 | ||
| 133 | G | 40.1 | Very low | 51.8 | Low | 69 Ų | 69 | 139.8 Ų | 139.8 | 71% | 0.711 | 83% | 0.827 | S | S | * | * | S | Bend | trans | 173.7 | 78.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 134 | N | 42.8 | Very low | 51.8 | Low | 171 Ų | 171 | 138.7 Ų | 138.7 | 91% | 0.914 | 83% | 0.825 | S | S | * | * | S | Bend | trans | 70.1 | 134 | 175.2 | -61.9 | -24.4 | 0 | 0 | 0 | 118.7 | G136 | N134-G136 PolarHBondContact O-N 3.31Š|
| 135 | R | 45.5 | Very low | 51.9 | Low | 254 Ų | 254 | 138.3 Ų | 138.3 | 96% | 0.958 | 82% | 0.822 | S | S | * | * | trans | -75.7 | 109.5 | -148.9 | -172.8 | 177.8 | -177.9 | 177.3 | 1 | 114.5 | ||||
| 136 | G | 49.3 | Very low | 51.8 | Low | 67 Ų | 67 | 133.7 Ų | 133.7 | 69% | 0.691 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 154.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N134 | N134-G136 PolarHBondContact O-N 3.31Š|
| 137 | K | 46.1 | Very low | 51.9 | Low | 205 Ų | 205 | 132 Ų | 132 | 89% | 0.891 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -82 | 142.6 | 164.9 | -74.1 | -179.1 | 178.4 | 179.6 | 0 | 109.5 | ||
| 138 | P | 54.6 | Low | 52.1 | Low | 129 Ų | 129 | 131.5 Ų | 131.5 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 142.9 | -178.1 | -24.9 | 33.7 | 0 | 0 | 0 | 114 | ||
| 139 | G | 55.3 | Low | 52.2 | Low | 67 Ų | 67 | 137.3 Ų | 137.3 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 150.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 140 | P | 55.3 | Low | 52.5 | Low | 135 Ų | 135 | 134.4 Ų | 134.4 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 141.8 | 177.8 | 26.2 | -32 | 0 | 0 | 0 | 112.5 | ||
| 141 | K | 59.3 | Low | 53 | Low | 206 Ų | 206 | 132.8 Ų | 132.8 | 90% | 0.896 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 137.1 | -179.6 | -162.7 | 173.9 | -175.9 | 176.7 | 0 | 112.6 | ||
| 142 | G | 58 | Low | 53.7 | Low | 72 Ų | 72 | 127.6 Ų | 127.6 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -57 | 140 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 143 | K | 55.8 | Low | 55 | Low | 209 Ų | 209 | 129 Ų | 129 | 91% | 0.909 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 141.5 | 175.3 | -67.3 | -177.8 | 179.1 | -179.2 | 0 | 109.7 | ||
| 144 | A | 57.9 | Low | 56 | Low | 99 Ų | 99 | 127 Ų | 127 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 141.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 145 | G | 57.6 | Low | 56.9 | Low | 72 Ų | 72 | 124.7 Ų | 124.7 | 74% | 0.742 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 140.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 146 | A | 56.5 | Low | 57.9 | Low | 101 Ų | 101 | 120.4 Ų | 120.4 | 84% | 0.835 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 139.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | G148 | A146-G148 PolarHBondContact O-N 3.4Š|
| 147 | I | 60.5 | Low | 58.5 | Low | 159 Ų | 159 | 118.3 Ų | 118.3 | 82% | 0.815 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 131.3 | 171.4 | -62.1 | 170.6 | 0 | 0 | 0 | 108.1 | R149 | I147-R149 PolarHBondContact O-N 2.83Š|
| 148 | G | 56.9 | Low | 59.3 | Low | 50 Ų | 50 | 115 Ų | 115 | 52% | 0.515 | 71% | 0.708 | S | S | . | * | P | Polyproline II helix | trans | -55.7 | 136.9 | 176 | 0 | 0 | 0 | 0 | 0 | 110.5 | A146 | A146-G148 PolarHBondContact O-N 3.4Š|
| 149 | R | 58 | Low | 59.9 | Low | 247 Ų | 247 | 114 Ų | 114 | 93% | 0.932 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 139.4 | 179.3 | -68.4 | -173.7 | 173.9 | -155.4 | -1.3 | 109.9 | I147 G151 | I147-R149 PolarHBondContact O-N 2.83Å; R149-G151 PolarHBondContact O-N 2.9Å |
| 150 | A | 60.6 | Low | 60.2 | Low | 69 Ų | 69 | 112 Ų | 112 | 57% | 0.57 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 139.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 151 | G | 58.7 | Low | 60.6 | Low | 42 Ų | 42 | 111.5 Ų | 111.5 | 43% | 0.433 | 67% | 0.67 | S | S | . | * | P | Polyproline II helix | trans | -59.5 | 151.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | R149 R153 | R149-G151 PolarHBondContact O-N 2.9Å; G151-R153 PolarHBondContact O-N 3.4Å |
| 152 | P | 59.9 | Low | 61.1 | Low | 126 Ų | 126 | 105.5 Ų | 105.5 | 82% | 0.818 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 138.8 | 179.1 | 26.5 | -33.1 | 0 | 0 | 0 | 110.9 | G154 | P152-G154 PolarHBondContact O-N 3.3Š|
| 153 | R | 66.1 | Low | 61.3 | Low | 161 Ų | 161 | 103.3 Ų | 103.3 | 61% | 0.608 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 137.9 | 173.8 | 179.1 | 171.6 | 171.1 | 176.6 | 0.9 | 110.3 | D111 G151 | D111-R153 IonicContact OD2-CZ 3.65Å; D111-R153 IonicContact OD2-NH2 2.65Å; D111-R153 PolarHBondContact OD2-NH2 3.34Å; G151-R153 PolarHBondContact O-N 3.4Å |
| 154 | G | 61.7 | Low | 61.9 | Low | 25 Ų | 25 | 102.9 Ų | 102.9 | 26% | 0.258 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -56.8 | 152.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | P152 | P152-G154 PolarHBondContact O-N 3.3Š|
| 155 | P | 60.8 | Low | 62.5 | Low | 124 Ų | 124 | 104.6 Ų | 104.6 | 81% | 0.805 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -62 | 145.9 | -178.2 | 25.4 | -33.2 | 0 | 0 | 0 | 111.8 | ||
| 156 | K | 67.1 | Low | 62.8 | Low | 164 Ų | 164 | 102.4 Ų | 102.4 | 71% | 0.713 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 138.8 | 178.2 | -164.5 | 175 | -173 | 175 | 0 | 110.5 | D111 | D111-K156 VanDerWaalsContact OD1-CG 3.32Å; D111-K156 WeakPolarHBondContact OD1-CG 3.02Å |
| 157 | G | 61.9 | Low | 63.4 | Low | 22 Ų | 22 | 103.5 Ų | 103.5 | 23% | 0.227 | 59% | 0.592 | C | S | . | * | P | Polyproline II helix | trans | -57.8 | 142.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 158 | V | 62.6 | Low | 64.1 | Low | 137 Ų | 137 | 100.4 Ų | 100.4 | 83% | 0.83 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 142 | -178.7 | -144.9 | 0 | 0 | 0 | 0 | 110.7 | ||
| 159 | N | 67.7 | Low | 64.7 | Low | 108 Ų | 108 | 99.3 Ų | 99.3 | 58% | 0.578 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -64 | 141.9 | 177.5 | -82.1 | -6.8 | 0 | 0 | 0 | 111.5 | P108 | P108-N159 WeakPolarHBondContact CG-OD1 3.32Š|
| 160 | G | 60.7 | Low | 65.5 | Low | 25 Ų | 25 | 97.1 Ų | 97.1 | 26% | 0.258 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -63.9 | 150.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | M105 | M105-G160 WeakPolarHBondContact CG-O 3.45Š|
| 161 | T | 64.3 | Low | 66.2 | Low | 124 Ų | 124 | 100 Ų | 100 | 76% | 0.761 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 150.4 | 178.2 | 48.9 | 0 | 0 | 0 | 0 | 111.9 | ||
| 162 | P | 69.6 | Low | 66.9 | Low | 79 Ų | 79 | 99 Ų | 99 | 51% | 0.513 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 143.4 | 175.4 | -22.8 | 33.2 | 0 | 0 | 0 | 112.4 | M102 M105 | M102-P162 HydrophobicContact SD-CB 4.32Å; M105-P162 HydrophobicContact CE-CG 4.45Å |
| 163 | G | 62.6 | Low | 67.7 | Low | 26 Ų | 26 | 98.8 Ų | 98.8 | 27% | 0.268 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -64.8 | 151.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | M102 G103 | M102-G163 WeakPolarHBondContact CG-O 3.44Å; G103-G163 PolarHBondContact O-N 3.22Å |
| 164 | K | 68.1 | Low | 68.2 | Low | 201 Ų | 201 | 97.7 Ų | 97.7 | 87% | 0.874 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 149.7 | 177.8 | -66.3 | -174.9 | 179.4 | -178 | 0 | 111.5 | ||
| 165 | H | 70.9 | Confident | 68.7 | Low | 134 Ų | 134 | 98 Ų | 98 | 62% | 0.62 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 142 | 176.4 | -127.9 | 69.9 | 0 | 0 | 0 | 111.1 | ||
| 166 | G | 62.8 | Low | 69.4 | Low | 27 Ų | 27 | 101.5 Ų | 101.5 | 28% | 0.278 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -68.6 | 148 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | G100 | G100-G166 PolarHBondContact O-N 3.16Š|
| 167 | T | 70.8 | Confident | 69.8 | Low | 123 Ų | 123 | 99 Ų | 99 | 76% | 0.755 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 153.2 | 176.4 | 48.1 | 0 | 0 | 0 | 0 | 111.5 | ||
| 168 | P | 74.6 | Confident | 70.3 | Confident | 95 Ų | 95 | 99.5 Ų | 99.5 | 62% | 0.617 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 143.2 | 175.1 | -24.8 | 34.5 | 0 | 0 | 0 | 112.3 | ||
| 169 | G | 69.6 | Low | 70.9 | Confident | 27 Ų | 27 | 101.3 Ų | 101.3 | 28% | 0.278 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -63.6 | 145.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G97 | G97-G169 PolarHBondContact O-N 2.77Š|
| 170 | K | 74.8 | Confident | 71.3 | Confident | 200 Ų | 200 | 100 Ų | 100 | 87% | 0.87 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 145.8 | 177.5 | -66.7 | -176.1 | 179.8 | 180 | 0 | 110.8 | ||
| 171 | K | 76.1 | Confident | 71.7 | Confident | 130 Ų | 130 | 100.4 Ų | 100.4 | 57% | 0.565 | 56% | 0.557 | S | S | * | * | B | Isolated β-bridge | trans | -57.3 | 136.8 | 174.1 | -164.4 | 179.2 | -167 | -172.5 | 0 | 110.2 | P93 G94 | P93-K171 HydrophobicContact CB-CD 4.04Å; P93-K171 HydrophobicContact CB-CG 4.39Å; G94-K171 WeakPolarHBondContact O-CG 3.12Å |
| 172 | G | 73.3 | Confident | 72.2 | Confident | 22 Ų | 22 | 102.2 Ų | 102.2 | 23% | 0.227 | 56% | 0.561 | C | S | . | * | P | Polyproline II helix | trans | -62.2 | 157.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G94 | G94-G172 PolarHBondContact O-N 3.22Š|
| 173 | P | 75.1 | Confident | 72 | Confident | 121 Ų | 121 | 102.4 Ų | 102.4 | 79% | 0.786 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 159 | 178.6 | 27.3 | -34.4 | 0 | 0 | 0 | 111.6 | G94 | G94-P173 PolarHBondContact N-O 3.48Š|
| 174 | K | 76.4 | Confident | 71.8 | Confident | 137 Ų | 137 | 102.7 Ų | 102.7 | 60% | 0.596 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 138 | 173.8 | -162.6 | 179.1 | -166.7 | -170.2 | 0 | 109.7 | P90 G91 | P90-K174 HydrophobicContact CB-CD 3.98Å; P90-K174 HydrophobicContact CB-CG 4.33Å; G91-K174 WeakPolarHBondContact O-CG 3.47Å |
| 175 | G | 72.8 | Confident | 71.2 | Confident | 31 Ų | 31 | 99.8 Ų | 99.8 | 32% | 0.32 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -58.5 | 151.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | G91 | G91-G175 PolarHBondContact O-N 3.5Š|
| 176 | K | 76.2 | Confident | 70.2 | Confident | 198 Ų | 198 | 96 Ų | 96 | 86% | 0.861 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 150.9 | 176.7 | -67.8 | -175.5 | 179.8 | 179.8 | 0 | 110.2 | ||
| 177 | K | 75.6 | Confident | 70 | Confident | 113 Ų | 113 | 97.1 Ų | 97.1 | 49% | 0.491 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -64 | 137.9 | 173.9 | -161.1 | 172.3 | 175.5 | -161.4 | 0 | 108.8 | Q87 G88 P90 | Q87-K177 HydrophobicContact CG-CD 3.94Å; Q87-K177 HydrophobicContact CG-CG 3.87Å; G88-K177 VanDerWaalsContact O-CG 3.25Å; G88-K177 WeakPolarHBondContact O-CG 3.35Å; P90-K177 HydrophobicContact CG-CG 4.31Å |
| 178 | G | 71.5 | Confident | 69.4 | Low | 31 Ų | 31 | 95.6 Ų | 95.6 | 32% | 0.32 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -59.4 | 155.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | Q87 | Q87-G178 WeakPolarHBondContact CG-O 3.2Å; Q87-G178 PolarHBondContact NE2-O 3.43Å |
| 179 | E | 76.4 | Confident | 68.5 | Low | 176 Ų | 176 | 93.8 Ų | 93.8 | 82% | 0.822 | 55% | 0.55 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 155.5 | 173.5 | -66.7 | -170.9 | 162 | 0 | 0 | 110.5 | ||
| 180 | P | 76.1 | Confident | 67.9 | Low | 81 Ų | 81 | 99.2 Ų | 99.2 | 53% | 0.526 | 58% | 0.584 | S | S | . | * | P | Polyproline II helix | trans | -53.7 | 143.5 | 169.1 | -23.3 | 34.2 | 0 | 0 | 0 | 111 | L182 | P180-L182 PolarHBondContact O-N 2.02Š|
| 181 | G | 69.4 | Low | 67 | Low | 33 Ų | 33 | 92.6 Ų | 92.6 | 34% | 0.34 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -62.7 | 138.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | G85 | G85-G181 PolarHBondContact O-N 2.72Š|
| 182 | L | 73.2 | Confident | 66.4 | Low | 162 Ų | 162 | 92.4 Ų | 92.4 | 85% | 0.848 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 141.5 | 174.5 | -67.2 | 173.9 | 0 | 0 | 0 | 109.6 | P180 G184 | P180-L182 PolarHBondContact O-N 2.02Å; L182-G184 PolarHBondContact O-N 3.03Å |
| 183 | P | 65.7 | Low | 66.5 | Low | 82 Ų | 82 | 95.2 Ų | 95.2 | 53% | 0.532 | 59% | 0.585 | S | S | . | * | P | Polyproline II helix | trans | -51.5 | 140.1 | 169.4 | -19.5 | 28.3 | 0 | 0 | 0 | 110 | P84 | P84-P183 HydrophobicContact CG-CG 4.26Š|
| 184 | G | 58.2 | Low | 67.1 | Low | 32 Ų | 32 | 95.9 Ų | 95.9 | 33% | 0.33 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 152 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | L182 C186 | L182-G184 PolarHBondContact O-N 3.03Å; G184-C186 PolarHBondContact O-N 3.45Å |
| 185 | P | 55.8 | Low | 68 | Low | 140 Ų | 140 | 89.7 Ų | 89.7 | 91% | 0.909 | 55% | 0.55 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 116.8 | 176.3 | 23.8 | -31.6 | 0 | 0 | 0 | 109.1 | ||
| 186 | C | 49.4 | Very low | 69.2 | Low | 56 Ų | 56 | 89.3 Ų | 89.3 | 38% | 0.378 | 54% | 0.544 | S | S | . | . | trans | -105.6 | 99.9 | -175.5 | -145.7 | 0 | 0 | 0 | 0 | 110.3 | C81 G184 C188 | C81-C186 WeakPolarHBondContact CA-SG 2.89Å; C81-C186 HydrophobicContact CB-CB 3.8Å; C81-C186 WeakPolarHBondContact CB-SG 3.44Å; C81-C186 WeakPolarHBondContact SG-CB 2.92Å; C81-C186 CovalentContact SG-SG 2.02Å; C81-C186 PolarHBondContact SG-SG 2.77Å; G184-C186 PolarHBondContact O-N 3.45Å; C186-C188 PolarHBondContact O-N 3.17Å; C186-C188 VanDerWaalsContact O-N 3.16Å | ||
| 187 | S | 59.1 | Low | 70.2 | Confident | 50 Ų | 50 | 80 Ų | 80 | 35% | 0.35 | 50% | 0.503 | S | S | . | . | trans | -64.3 | 8 | 175.1 | 144.2 | 0 | 0 | 0 | 0 | 119.1 | G189 H192 | S187-G189 VanDerWaalsContact C-N 3.28Å; S187-G189 PolarHBondContact O-N 3.1Å; S187-H192 VanDerWaalsContact CA-NE2 3.32Å; S187-H192 WeakPolarHBondContact CA-NE2 3.01Å; S187-H192 WeakPolarHBondContact CB-NE2 3.41Å; S187-H192 PolarHBondContact O-CD2 3.14Å; S187-H192 PolarHBondContact OG-CD2 3.46Å; S187-H192 PolarHBondContact OG-CE1 3.06Å; S187-H192 PolarHBondContact OG-NE2 2.9Å | ||
| 188 | C | 58 | Low | 71.3 | Confident | 91 Ų | 91 | 75.8 Ų | 75.8 | 62% | 0.615 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | 74.4 | -164.5 | -65.6 | 0 | 0 | 0 | 0 | 111.2 | C186 | C186-C188 PolarHBondContact O-N 3.17Å; C186-C188 VanDerWaalsContact O-N 3.16Å |
| 189 | G | 56.3 | Low | 72.6 | Confident | 56 Ų | 56 | 74.3 Ų | 74.3 | 58% | 0.577 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 139.3 | 112.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S187 | S187-G189 VanDerWaalsContact C-N 3.28Å; S187-G189 PolarHBondContact O-N 3.1Å |
| 190 | S | 56 | Low | 73.6 | Confident | 142 Ų | 142 | 66 Ų | 66 | 99% | 0.993 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | 22.2 | 168.7 | 75.8 | 0 | 0 | 0 | 0 | 120.3 | ||
| 191 | G | 57.4 | Low | 74.5 | Confident | 60 Ų | 60 | 62.2 Ų | 62.2 | 62% | 0.619 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.5 | -24.5 | 173 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 192 | H | 63.3 | Low | 75.7 | Confident | 127 Ų | 127 | 62.6 Ų | 62.6 | 59% | 0.588 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -91 | 126.9 | -179.8 | -69 | -60.4 | 0 | 0 | 0 | 112.1 | S187 K194 | S187-H192 VanDerWaalsContact CA-NE2 3.32Å; S187-H192 WeakPolarHBondContact CA-NE2 3.01Å; S187-H192 WeakPolarHBondContact CB-NE2 3.41Å; S187-H192 PolarHBondContact O-CD2 3.14Å; S187-H192 PolarHBondContact OG-CD2 3.46Å; S187-H192 PolarHBondContact OG-CE1 3.06Å; S187-H192 PolarHBondContact OG-NE2 2.9Å; H192-K194 PolarHBondContact O-N 3.44Å |
| 193 | T | 75.7 | Confident | 76.7 | Confident | 80 Ų | 80 | 62.2 Ų | 62.2 | 49% | 0.491 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 116.6 | 168.4 | 46.7 | 0 | 0 | 0 | 0 | 110.2 | V236 | T193-V236 HydrophobicContact CG2-CG1 4.26Å; T193-V236 HydrophobicContact CG2-CG2 4.06Å; T193-V236 WeakPolarHBondContact OG1-CG1 3.32Å |
| 194 | K | 87.7 | Confident | 78 | Confident | 136 Ų | 136 | 60.1 Ų | 60.1 | 59% | 0.591 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -103.4 | 139.6 | 174.4 | -63.2 | 178.4 | -174.7 | 175.8 | 0 | 109.5 | H192 E221 | H192-K194 PolarHBondContact O-N 3.44Å; K194-E221 HydrophobicContact CB-CG 3.8Å; K194-E221 HydrophobicContact CD-CG 4.19Å; K194-E221 WeakPolarHBondContact CD-OE1 3.34Å; K194-E221 IonicContact NZ-OE1 2.66Å |
| 195 | S | 94.9 | Very high | 79.7 | Confident | 6 Ų | 6 | 62.3 Ų | 62.3 | 4% | 0.042 | 38% | 0.383 | C | S | . | . | trans | -149.1 | 105.4 | 179.5 | 179.8 | 0 | 0 | 0 | 0 | 108 | H224 Y240 F318 L319 | S195-H224 VanDerWaalsContact CB-ND1 3.34Å; S195-H224 WeakPolarHBondContact CB-ND1 3.5Å; S195-H224 PolarHBondContact OG-ND1 2.75Å; S195-Y240 WeakPolarHBondContact CB-OH 3.35Å; S195-Y240 VanDerWaalsContact OG-CE1 3.29Å; S195-Y240 WeakPolarHBondContact OG-CE1 3.45Å; S195-Y240 PolarHBondContact OG-OH 3.03Å; S195-F318 WeakPolarHBondContact O-CA 3.2Å; S195-L319 PolarHBondContact O-N 2.79Å | ||
| 196 | A | 96.9 | Very high | 81.5 | Confident | 23 Ų | 23 | 56.9 Ų | 56.9 | 19% | 0.19 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 138.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | M219 N220 E221 G317 F318 | A196-M219 HydrophobicContact CB-CE 4.36Å; A196-N220 CarbonylContact O-C 3.52Å; A196-E221 HydrophobicContact CB-CB 4.43Å; A196-E221 PolarHBondContact N-O 3.42Å; A196-E221 PolarHBondContact O-N 2.88Å; A196-G317 CarbonylContact C-O 3.54Å; A196-G317 VanDerWaalsContact CA-O 3.31Å; A196-G317 WeakPolarHBondContact CA-O 3.21Å; A196-F318 HydrophobicContact CB-CB 3.67Å |
| 197 | F | 98.1 | Very high | 83.6 | Confident | 3 Ų | 3 | 64 Ų | 64 | 1% | 0.013 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 151.7 | 173.4 | 71.7 | -81.1 | 0 | 0 | 0 | 110.8 | V199 M219 Y225 F232 F242 F315 T316 G317 | F197-V199 HydrophobicContact CD2-CG1 4.25Å; F197-V199 HydrophobicContact CD2-CG2 4.02Å; F197-V199 HydrophobicContact CE2-CG2 4.2Å; F197-M219 CarbonylContact C-O 3.45Å; F197-M219 VanDerWaalsContact CA-O 3.24Å; F197-M219 WeakPolarHBondContact CA-O 3.31Å; F197-Y225 HydrophobicContact CB-CG 4.44Å; F197-Y225 AromaticContact CD2-CD2 3.61Å; F197-Y225 HydrophobicContact CD2-CD2 3.61Å; F197-Y225 HydrophobicContact CD2-CE2 4.32Å; F197-Y225 AromaticContact CD2-CG 3.86Å; F197-Y225 HydrophobicContact CD2-CG 3.86Å; F197-Y225 AromaticContact CE2-CD2 3.68Å; F197-Y225 HydrophobicContact CE2-CD2 3.68Å; F197-Y225 HydrophobicContact CE2-CE2 4.11Å; F197-Y225 HydrophobicContact CE2-CG 4.38Å; F197-Y225 HydrophobicContact CG-CD2 4.15Å; F197-Y225 HydrophobicContact CG-CG 4.15Å; F197-Y225 HydrophobicContact CZ-CD2 4.25Å; F197-F232 HydrophobicContact CD1-CB 4.48Å; F197-F232 AromaticContact CD1-CD2 3.28Å; F197-F232 HydrophobicContact CD1-CD2 3.28Å; F197-F232 AromaticContact CD1-CE2 3.71Å; F197-F232 HydrophobicContact CD1-CE2 3.71Å; F197-F232 HydrophobicContact CD1-CG 4.11Å; F197-F232 HydrophobicContact CE1-CB 3.79Å; F197-F232 HydrophobicContact CE1-CD1 4.47Å; F197-F232 AromaticContact CE1-CD2 3.22Å; F197-F232 HydrophobicContact CE1-CD2 3.22Å; F197-F232 AromaticContact CE1-CE2 3.84Å; F197-F232 HydrophobicContact CE1-CE2 3.84Å; F197-F232 AromaticContact CE1-CG 3.57Å; F197-F232 HydrophobicContact CE1-CG 3.57Å; F197-F232 HydrophobicContact CG-CD2 4.32Å; F197-F232 HydrophobicContact CZ-CB 3.99Å; F197-F232 HydrophobicContact CZ-CD2 4.22Å; F197-F232 HydrophobicContact CZ-CG 4.27Å; F197-F242 HydrophobicContact CE1-CD1 4.23Å; F197-F242 AromaticContact CE1-CE1 3.74Å; F197-F242 HydrophobicContact CE1-CE1 3.74Å; F197-F242 HydrophobicContact CZ-CD1 4.06Å; F197-F242 AromaticContact CZ-CE1 3.91Å; F197-F242 HydrophobicContact CZ-CE1 3.91Å; F197-F315 AromaticContact CE2-CD1 3.58Å; F197-F315 HydrophobicContact CE2-CD1 3.58Å; F197-F315 AromaticContact CE2-CE1 3.61Å; F197-F315 HydrophobicContact CE2-CE1 3.61Å; F197-F315 HydrophobicContact CE2-CG 4.05Å; F197-F315 HydrophobicContact CE2-CZ 4.12Å; F197-F315 HydrophobicContact CZ-CD1 4.03Å; F197-F315 AromaticContact CZ-CE1 3.58Å; F197-F315 HydrophobicContact CZ-CE1 3.58Å; F197-F315 HydrophobicContact CZ-CE2 4.22Å; F197-F315 AromaticContact CZ-CZ 3.69Å; F197-F315 HydrophobicContact CZ-CZ 3.69Å; F197-T316 WeakPolarHBondContact O-CA 3.48Å; F197-T316 WeakPolarHBondContact O-CG2 3.34Å; F197-G317 WeakPolarHBondContact CD1-O 3.29Å; F197-G317 PolarHBondContact N-O 3.44Å; F197-G317 PolarHBondContact O-N 3.28Å |
| 198 | S | 98.1 | Very high | 85.1 | Confident | 25 Ų | 25 | 64.3 Ų | 64.3 | 18% | 0.175 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 124.7 | 168.3 | -172.1 | 0 | 0 | 0 | 0 | 107.7 | L218 M219 T316 | S198-L218 WeakPolarHBondContact O-CA 3.41Å; S198-L218 VanDerWaalsContact O-CB 3.29Å; S198-L218 WeakPolarHBondContact O-CB 3.38Å; S198-L218 PolarHBondContact O-N 2.77Å; S198-M219 PolarHBondContact N-O 2.84Å; S198-M219 PolarHBondContact O-N 3.38Å; S198-T316 PolarHBondContact OG-OG1 2.82Å |
| 199 | V | 98.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 152.5 | -170.3 | -64.5 | 0 | 0 | 0 | 0 | 110.7 | F197 F214 K216 I217 Y225 L314 F315 | F197-V199 HydrophobicContact CD2-CG1 4.25Å; F197-V199 HydrophobicContact CD2-CG2 4.02Å; F197-V199 HydrophobicContact CE2-CG2 4.2Å; V199-F214 HydrophobicContact CB-CB 3.62Å; V199-F214 HydrophobicContact CB-CG 4.45Å; V199-F214 HydrophobicContact CG2-CB 3.33Å; V199-F214 HydrophobicContact CG2-CD1 4.14Å; V199-F214 HydrophobicContact CG2-CD2 4.39Å; V199-F214 HydrophobicContact CG2-CG 3.73Å; V199-K216 CarbonylContact C-O 3.49Å; V199-K216 WeakPolarHBondContact CA-O 3.49Å; V199-I217 HydrophobicContact CG1-CG1 4.37Å; V199-Y225 HydrophobicContact CB-CE1 4.14Å; V199-Y225 HydrophobicContact CG1-CD1 3.59Å; V199-Y225 HydrophobicContact CG1-CE1 3.67Å; V199-Y225 HydrophobicContact CG1-CG 4.18Å; V199-Y225 HydrophobicContact CG2-CD1 4.43Å; V199-Y225 HydrophobicContact CG2-CE1 3.94Å; V199-Y225 HydrophobicContact CG2-CE2 4.07Å; V199-L314 CarbonylContact O-C 3.58Å; V199-L314 WeakPolarHBondContact O-CA 3.39Å; V199-F315 HydrophobicContact CG2-CB 4.08Å; V199-F315 HydrophobicContact CG2-CD1 4.35Å; V199-F315 VanDerWaalsContact CG2-O 3.29Å; V199-F315 WeakPolarHBondContact CG2-O 3.41Å; V199-F315 PolarHBondContact N-O 2.9Å; V199-F315 PolarHBondContact O-N 3.27Å |
| 200 | A | 97.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 152.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | F214 D215 K216 S313 L314 | A200-F214 CarbonylContact O-C 3.46Å; A200-F214 WeakPolarHBondContact O-CA 3.4Å; A200-D215 PolarHBondContact O-N 3Å; A200-K216 HydrophobicContact CB-CB 4.06Å; A200-K216 HydrophobicContact CB-CD 3.99Å; A200-K216 HydrophobicContact CB-CG 4.12Å; A200-K216 PolarHBondContact N-O 2.77Å; A200-K216 WeakPolarHBondContact O-CB 3.24Å; A200-K216 PolarHBondContact O-N 3.14Å; A200-S313 WeakPolarHBondContact CA-O 3.19Å; A200-L314 HydrophobicContact CB-CD2 3.57Å |
| 201 | V | 96.5 | Very high | 90.4 | Very high | 3 Ų | 3 | 64.5 Ų | 64.5 | 2% | 0.018 | 32% | 0.321 | C | S | . | . | trans | -80.7 | 151.3 | 168.9 | -62.1 | 0 | 0 | 0 | 0 | 110.6 | I212 F214 L304 Y306 S313 | V201-I212 HydrophobicContact CG1-CG2 3.98Å; V201-F214 HydrophobicContact CB-CD1 4.49Å; V201-F214 HydrophobicContact CG1-CD1 3.48Å; V201-F214 VanDerWaalsContact CG1-CD1 3.48Å; V201-F214 HydrophobicContact CG1-CE1 3.59Å; V201-F214 HydrophobicContact CG1-CG 3.97Å; V201-F214 HydrophobicContact CG1-CZ 4.16Å; V201-L304 HydrophobicContact CG1-CD2 4.4Å; V201-L304 HydrophobicContact CG2-CD2 3.97Å; V201-Y306 HydrophobicContact CG2-CD2 4.44Å; V201-Y306 HydrophobicContact CG2-CG 4.46Å; V201-Y306 WeakPolarHBondContact O-CD2 3.48Å; V201-Y306 WeakPolarHBondContact O-CE2 3.49Å; V201-S313 PolarHBondContact N-O 3.44Å; V201-S313 VanDerWaalsContact N-O 3.15Å | ||
| 202 | T | 95.1 | Very high | 92.3 | Very high | 41 Ų | 41 | 61.7 Ų | 61.7 | 25% | 0.252 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -115.2 | 6.9 | 168.4 | 72.9 | 0 | 0 | 0 | 0 | 113.6 | D215 K216 Y306 | T202-D215 WeakPolarHBondContact CB-OD2 3.21Å; T202-D215 WeakPolarHBondContact CG2-OD1 3.25Å; T202-D215 WeakPolarHBondContact CG2-OD2 3.04Å; T202-D215 PolarHBondContact N-OD1 2.97Å; T202-D215 PolarHBondContact OG1-OD1 3.43Å; T202-D215 VanDerWaalsContact OG1-OD1 3.09Å; T202-D215 PolarHBondContact OG1-OD2 2.88Å; T202-K216 HydrophobicContact CG2-CB 3.7Å; T202-K216 HydrophobicContact CG2-CD 4.46Å; T202-Y306 VanDerWaalsContact CA-CE1 3.45Å; T202-Y306 WeakPolarHBondContact O-CD1 3.46Å; T202-Y306 WeakPolarHBondContact O-CE1 3.23Å |
| 203 | K | 93.3 | Very high | 93.9 | Very high | 154 Ų | 154 | 61.6 Ų | 61.6 | 67% | 0.67 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -138.9 | 130.9 | -176.7 | -63.2 | -179.3 | -174.9 | 175.1 | 0 | 110.7 | ||
| 204 | S | 93.8 | Very high | 94.9 | Very high | 37 Ų | 37 | 57.8 Ų | 57.8 | 26% | 0.259 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -70.1 | 154.8 | 168.8 | -54.8 | 0 | 0 | 0 | 0 | 110.6 | F305 Y306 | S204-F305 WeakPolarHBondContact OG-CD2 3.41Å; S204-Y306 PolarHBondContact OG-N 2.83Å; S204-Y306 PolarHBondContact OG-O 3.07Å; S204-Y306 VanDerWaalsContact OG-O 3.04Å |
| 205 | Y | 93.5 | Very high | 95.3 | Very high | 79 Ų | 79 | 54.7 Ų | 54.7 | 31% | 0.31 | 26% | 0.257 | S | S | . | . | S | Bend | trans | 56 | 57.2 | 170.6 | -47.4 | -53.9 | 0 | 0 | 0 | 114.7 | A249 N250 N302 L304 | Y205-A249 PolarHBondContact OH-O 3.01Å; Y205-N250 PolarHBondContact OH-ND2 2.87Å; Y205-N302 VanDerWaalsContact C-ND2 3.25Å; Y205-N302 WeakPolarHBondContact CA-ND2 3.14Å; Y205-N302 WeakPolarHBondContact CA-OD1 3.31Å; Y205-N302 WeakPolarHBondContact CD1-O 3.36Å; Y205-N302 WeakPolarHBondContact CE1-O 3.49Å; Y205-L304 PolarHBondContact N-O 3.23Å |
| 206 | P | 93.4 | Very high | 95.3 | Very high | 26 Ų | 26 | 57.9 Ų | 57.9 | 17% | 0.169 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 160.3 | 176.1 | 28.2 | -36.4 | 0 | 0 | 0 | 111.7 | E208 I212 I296 N302 L304 | P206-E208 PolarHBondContact O-N 2.85Å; P206-I212 HydrophobicContact CB-CG1 4.43Å; P206-I212 HydrophobicContact CB-CG2 4.24Å; P206-I212 HydrophobicContact CG-CG1 4.03Å; P206-I212 HydrophobicContact CG-CG2 4.04Å; P206-I296 HydrophobicContact CG-CD1 3.91Å; P206-N302 WeakPolarHBondContact CD-OD1 3.43Å; P206-N302 PolarHBondContact O-ND2 2.56Å; P206-L304 HydrophobicContact CG-CD1 4.26Å; P206-L304 HydrophobicContact CG-CD2 4.32Å |
| 207 | R | 92.3 | Very high | 95.3 | Very high | 204 Ų | 204 | 60.9 Ų | 60.9 | 77% | 0.77 | 28% | 0.282 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 131.7 | -178.9 | -67.5 | -174.9 | 177.7 | -176.5 | -1.2 | 111.5 | L210 | R207-L210 HydrophobicContact CB-CD1 4.04Š|
| 208 | E | 92.3 | Very high | 95.2 | Very high | 58 Ų | 58 | 65 Ų | 65 | 27% | 0.271 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 155.1 | 178.2 | -61.2 | 168.5 | -170 | 0 | 0 | 111.4 | P206 L210 I296 S299 E300 N302 | P206-E208 PolarHBondContact O-N 2.85Å; E208-L210 PolarHBondContact O-N 2.89Å; E208-I296 HydrophobicContact CB-CG2 4.46Å; E208-I296 HydrophobicContact CG-CG2 4.08Å; E208-S299 WeakPolarHBondContact OE2-CA 3.32Å; E208-E300 PolarHBondContact OE1-N 2.84Å; E208-E300 PolarHBondContact OE2-N 3.1Å; E208-N302 HydrophobicContact CG-CB 3.99Å; E208-N302 WeakPolarHBondContact OE1-CB 3.4Å |
| 209 | R | 90.9 | Very high | 95.1 | Very high | 170 Ų | 170 | 68.4 Ų | 68.4 | 64% | 0.642 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 13.4 | 179.9 | -53.2 | -173.6 | 179.5 | -149.6 | -1.6 | 115.7 | I296 S299 | R209-I296 WeakPolarHBondContact CA-O 3.22Å; R209-I296 PolarHBondContact N-O 2.82Å; R209-S299 PolarHBondContact NH2-OG 2.9Å; R209-S299 VanDerWaalsContact NH2-OG 3.14Å |
| 210 | L | 94 | Very high | 94.9 | Very high | 87 Ų | 87 | 70.6 Ų | 70.6 | 46% | 0.455 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -123.5 | 156.5 | 174.4 | -66.6 | 175.9 | 0 | 0 | 0 | 109.8 | R207 E208 I212 Q295 | R207-L210 HydrophobicContact CB-CD1 4.04Å; E208-L210 PolarHBondContact O-N 2.89Å; L210-I212 PolarHBondContact O-N 2.67Å; L210-Q295 VanDerWaalsContact O-CB 3.31Å; L210-Q295 WeakPolarHBondContact O-CB 3.24Å |
| 211 | P | 96.8 | Very high | 94.7 | Very high | 35 Ų | 35 | 74.6 Ų | 74.6 | 23% | 0.227 | 35% | 0.348 | C | S | . | . | B | Isolated β-bridge | trans | -55 | 130.2 | 170.8 | -24.1 | 33.7 | 0 | 0 | 0 | 111.3 | K213 S229 K231 W293 | P211-K213 PolarHBondContact O-N 3.28Å; P211-S229 WeakPolarHBondContact CB-O 3.38Å; P211-K231 HydrophobicContact CB-CG 4.45Å; P211-W293 HydrophobicContact CB-CB 4.47Å; P211-W293 HydrophobicContact CB-CG 4.12Å; P211-W293 HydrophobicContact CG-CG 4.32Å |
| 212 | I | 97 | Very high | 94.4 | Very high | 2 Ų | 2 | 76.6 Ų | 76.6 | 1% | 0.01 | 37% | 0.37 | C | S | . | . | trans | -71.4 | 127.7 | 174.3 | -61.2 | 164 | 0 | 0 | 0 | 107.7 | V201 P206 L210 F214 G230 I255 L294 I296 L304 | V201-I212 HydrophobicContact CG1-CG2 3.98Å; P206-I212 HydrophobicContact CB-CG1 4.43Å; P206-I212 HydrophobicContact CB-CG2 4.24Å; P206-I212 HydrophobicContact CG-CG1 4.03Å; P206-I212 HydrophobicContact CG-CG2 4.04Å; L210-I212 PolarHBondContact O-N 2.67Å; I212-F214 HydrophobicContact CB-CD2 4.48Å; I212-F214 HydrophobicContact CB-CE2 3.87Å; I212-F214 HydrophobicContact CG2-CD2 4.08Å; I212-F214 HydrophobicContact CG2-CE2 3.61Å; I212-F214 HydrophobicContact CG2-CZ 3.97Å; I212-F214 WeakPolarHBondContact O-CD2 3.32Å; I212-G230 WeakPolarHBondContact O-CA 3.49Å; I212-I255 HydrophobicContact CD1-CD1 3.67Å; I212-I255 HydrophobicContact CD1-CG1 4.07Å; I212-L294 HydrophobicContact CD1-CB 4.14Å; I212-L294 PolarHBondContact N-O 3.11Å; I212-I296 HydrophobicContact CD1-CD1 4.48Å; I212-I296 HydrophobicContact CD1-CG1 4.16Å; I212-L304 HydrophobicContact CD1-CD1 4.1Å; I212-L304 HydrophobicContact CG2-CD1 4.36Å | ||
| 213 | K | 96.8 | Very high | 94.3 | Very high | 125 Ų | 125 | 77.1 Ų | 77.1 | 54% | 0.543 | 38% | 0.383 | S | S | . | . | trans | -91.1 | 112.6 | 178.7 | -57.2 | -172.1 | -176.3 | -159.5 | 0 | 109.2 | P211 S228 | P211-K213 PolarHBondContact O-N 3.28Å; K213-S228 WeakPolarHBondContact CD-O 3.28Å; K213-S228 WeakPolarHBondContact CE-O 3.37Å; K213-S228 PolarHBondContact NZ-O 2.87Å | ||
| 214 | F | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 36% | 0.36 | C | S | . | . | trans | -93.7 | 102.5 | 170 | -60.7 | -106.8 | 0 | 0 | 0 | 107.2 | V199 A200 V201 I212 Y225 I246 L294 F315 | V199-F214 HydrophobicContact CB-CB 3.62Å; V199-F214 HydrophobicContact CB-CG 4.45Å; V199-F214 HydrophobicContact CG2-CB 3.33Å; V199-F214 HydrophobicContact CG2-CD1 4.14Å; V199-F214 HydrophobicContact CG2-CD2 4.39Å; V199-F214 HydrophobicContact CG2-CG 3.73Å; A200-F214 CarbonylContact O-C 3.46Å; A200-F214 WeakPolarHBondContact O-CA 3.4Å; V201-F214 HydrophobicContact CB-CD1 4.49Å; V201-F214 HydrophobicContact CG1-CD1 3.48Å; V201-F214 VanDerWaalsContact CG1-CD1 3.48Å; V201-F214 HydrophobicContact CG1-CE1 3.59Å; V201-F214 HydrophobicContact CG1-CG 3.97Å; V201-F214 HydrophobicContact CG1-CZ 4.16Å; I212-F214 HydrophobicContact CB-CD2 4.48Å; I212-F214 HydrophobicContact CB-CE2 3.87Å; I212-F214 HydrophobicContact CG2-CD2 4.08Å; I212-F214 HydrophobicContact CG2-CE2 3.61Å; I212-F214 HydrophobicContact CG2-CZ 3.97Å; I212-F214 WeakPolarHBondContact O-CD2 3.32Å; F214-Y225 WeakPolarHBondContact CB-OH 3.37Å; F214-Y225 WeakPolarHBondContact CD2-OH 3.49Å; F214-Y225 PolarHBondContact N-OH 3.35Å; F214-Y225 WeakPolarHBondContact O-CE1 3.24Å; F214-I246 HydrophobicContact CE1-CD1 4.39Å; F214-I246 HydrophobicContact CZ-CD1 4.36Å; F214-L294 HydrophobicContact CE2-CB 4.24Å; F214-L294 HydrophobicContact CE2-CD1 3.96Å; F214-L294 HydrophobicContact CZ-CD1 3.63Å; F214-F315 HydrophobicContact CD1-CB 3.95Å; F214-F315 HydrophobicContact CD2-CB 4.24Å; F214-F315 HydrophobicContact CD2-CD1 4.34Å; F214-F315 HydrophobicContact CE1-CB 3.62Å; F214-F315 HydrophobicContact CE2-CB 3.93Å; F214-F315 HydrophobicContact CE2-CD1 4.21Å; F214-F315 HydrophobicContact CE2-CG 4.4Å; F214-F315 HydrophobicContact CG-CB 4.28Å; F214-F315 HydrophobicContact CZ-CB 3.63Å; F214-F315 HydrophobicContact CZ-CG 4.45Å | ||
| 215 | D | 95 | Very high | 94.7 | Very high | 71 Ų | 71 | 70.2 Ų | 70.2 | 38% | 0.38 | 35% | 0.349 | S | S | . | . | trans | -93.5 | -20 | -169.1 | 59.4 | -43.9 | 0 | 0 | 0 | 113.5 | A200 T202 I217 | A200-D215 PolarHBondContact O-N 3Å; T202-D215 WeakPolarHBondContact CB-OD2 3.21Å; T202-D215 WeakPolarHBondContact CG2-OD1 3.25Å; T202-D215 WeakPolarHBondContact CG2-OD2 3.04Å; T202-D215 PolarHBondContact N-OD1 2.97Å; T202-D215 PolarHBondContact OG1-OD1 3.43Å; T202-D215 VanDerWaalsContact OG1-OD1 3.09Å; T202-D215 PolarHBondContact OG1-OD2 2.88Å; D215-I217 PolarHBondContact O-N 2.66Å | ||
| 216 | K | 95.4 | Very high | 94.8 | Very high | 72 Ų | 72 | 70.1 Ų | 70.1 | 31% | 0.313 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 103.3 | 173.6 | 174.1 | 177.5 | 166.3 | -160.8 | 0 | 109.4 | V199 A200 T202 L218 D312 | V199-K216 CarbonylContact C-O 3.49Å; V199-K216 WeakPolarHBondContact CA-O 3.49Å; A200-K216 HydrophobicContact CB-CB 4.06Å; A200-K216 HydrophobicContact CB-CD 3.99Å; A200-K216 HydrophobicContact CB-CG 4.12Å; A200-K216 PolarHBondContact N-O 2.77Å; A200-K216 WeakPolarHBondContact O-CB 3.24Å; A200-K216 PolarHBondContact O-N 3.14Å; T202-K216 HydrophobicContact CG2-CB 3.7Å; T202-K216 HydrophobicContact CG2-CD 4.46Å; K216-L218 HydrophobicContact CG-CD2 4.19Å; K216-D312 IonicContact NZ-OD1 3.87Å; K216-D312 PolarHBondContact NZ-OD1 3Å; K216-D312 IonicContact NZ-OD2 2.91Å; K216-D312 PolarHBondContact NZ-OD2 2.83Å |
| 217 | I | 96.4 | Very high | 95 | Very high | 86 Ų | 86 | 70.1 Ų | 70.1 | 44% | 0.441 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 117.5 | 177.4 | -57.9 | 175.4 | 0 | 0 | 0 | 109.5 | V199 D215 N220 A227 | V199-I217 HydrophobicContact CG1-CG1 4.37Å; D215-I217 PolarHBondContact O-N 2.66Å; I217-N220 HydrophobicContact CG2-CB 3.79Å; I217-A227 HydrophobicContact CD1-CB 4.24Å; I217-A227 HydrophobicContact CG1-CB 4.41Å |
| 218 | L | 96.1 | Very high | 95.1 | Very high | 91 Ų | 91 | 64.8 Ų | 64.8 | 48% | 0.476 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -40.7 | 171.9 | -52.2 | 178.1 | 0 | 0 | 0 | 110.5 | S198 K216 L314 | S198-L218 WeakPolarHBondContact O-CA 3.41Å; S198-L218 VanDerWaalsContact O-CB 3.29Å; S198-L218 WeakPolarHBondContact O-CB 3.38Å; S198-L218 PolarHBondContact O-N 2.77Å; K216-L218 HydrophobicContact CG-CD2 4.19Å; L218-L314 HydrophobicContact CD1-CD2 3.81Å |
| 219 | M | 95.8 | Very high | 95.3 | Very high | 96 Ų | 96 | 63.9 Ų | 63.9 | 47% | 0.473 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 143.4 | 176.6 | -177.5 | 175.8 | 176.6 | 0 | 0 | 109.6 | A196 F197 S198 E221 | A196-M219 HydrophobicContact CB-CE 4.36Å; F197-M219 CarbonylContact C-O 3.45Å; F197-M219 VanDerWaalsContact CA-O 3.24Å; F197-M219 WeakPolarHBondContact CA-O 3.31Å; S198-M219 PolarHBondContact N-O 2.84Å; S198-M219 PolarHBondContact O-N 3.38Å; M219-E221 HydrophobicContact CE-CB 3.7Å; M219-E221 HydrophobicContact CE-CG 4.45Å |
| 220 | N | 95.4 | Very high | 95.5 | Very high | 45 Ų | 45 | 55.8 Ų | 55.8 | 24% | 0.241 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 62.9 | 174.9 | -168.8 | 17.1 | 0 | 0 | 0 | 110.6 | A196 I217 G222 G223 H224 Y225 | A196-N220 CarbonylContact O-C 3.52Å; I217-N220 HydrophobicContact CG2-CB 3.79Å; N220-G222 PolarHBondContact O-N 2.71Å; N220-G223 PolarHBondContact O-N 2.87Å; N220-G223 VanDerWaalsContact O-N 3.14Å; N220-H224 PolarHBondContact OD1-N 2.76Å; N220-Y225 PolarHBondContact ND2-O 3.34Å; N220-Y225 WeakPolarHBondContact OD1-CB 3.31Å; N220-Y225 PolarHBondContact OD1-N 2.88Å; N220-Y225 VanDerWaalsContact OD1-N 3.1Å |
| 221 | E | 92.8 | Very high | 95.7 | Very high | 84 Ų | 84 | 53.7 Ų | 53.7 | 39% | 0.393 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 125.6 | 177.5 | -173.5 | 76.4 | 171.3 | 0 | 0 | 110 | K194 A196 M219 G223 | K194-E221 HydrophobicContact CB-CG 3.8Å; K194-E221 HydrophobicContact CD-CG 4.19Å; K194-E221 WeakPolarHBondContact CD-OE1 3.34Å; K194-E221 IonicContact NZ-OE1 2.66Å; A196-E221 HydrophobicContact CB-CB 4.43Å; A196-E221 PolarHBondContact N-O 3.42Å; A196-E221 PolarHBondContact O-N 2.88Å; M219-E221 HydrophobicContact CE-CB 3.7Å; M219-E221 HydrophobicContact CE-CG 4.45Å; E221-G223 VanDerWaalsContact C-N 3.3Å |
| 222 | G | 88.9 | Confident | 95.8 | Very high | 46 Ų | 46 | 52 Ų | 52 | 47% | 0.474 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | -9.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | N220 H224 | N220-G222 PolarHBondContact O-N 2.71Å; G222-H224 PolarHBondContact O-CD2 3.22Å; G222-H224 PolarHBondContact O-N 3.28Å; G222-H224 PolarHBondContact O-NE2 2.92Å |
| 223 | G | 93.9 | Very high | 95.8 | Very high | 52 Ų | 52 | 54.6 Ų | 54.6 | 54% | 0.536 | 31% | 0.312 | S | S | . | . | S | Bend | trans | 65.7 | 20.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | N220 E221 | N220-G223 PolarHBondContact O-N 2.87Å; N220-G223 VanDerWaalsContact O-N 3.14Å; E221-G223 VanDerWaalsContact C-N 3.3Å |
| 224 | H | 96.3 | Very high | 95.8 | Very high | 39 Ų | 39 | 48.8 Ų | 48.8 | 18% | 0.181 | 29% | 0.287 | C | S | . | . | trans | -81.2 | -14.7 | -174 | -63.2 | 149.1 | 0 | 0 | 0 | 113.7 | S195 N220 G222 F232 V233 | S195-H224 VanDerWaalsContact CB-ND1 3.34Å; S195-H224 WeakPolarHBondContact CB-ND1 3.5Å; S195-H224 PolarHBondContact OG-ND1 2.75Å; N220-H224 PolarHBondContact OD1-N 2.76Å; G222-H224 PolarHBondContact O-CD2 3.22Å; G222-H224 PolarHBondContact O-N 3.28Å; G222-H224 PolarHBondContact O-NE2 2.92Å; H224-F232 HydrophobicContact CB-CD2 3.9Å; H224-F232 HydrophobicContact CB-CE2 3.4Å; H224-F232 VanDerWaalsContact CB-CE2 3.4Å; H224-F232 HydrophobicContact CB-CZ 4.09Å; H224-V233 WeakPolarHBondContact CB-O 3.36Å; H224-V233 PolarHBondContact O-N 3.33Å | ||
| 225 | Y | 98.1 | Very high | 95.6 | Very high | 6 Ų | 6 | 50 Ų | 50 | 2% | 0.024 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 131.5 | 171 | -174.2 | -94.1 | 0 | 0 | 0 | 111.8 | F197 V199 F214 N220 A227 G230 F232 F315 | F197-Y225 HydrophobicContact CB-CG 4.44Å; F197-Y225 AromaticContact CD2-CD2 3.61Å; F197-Y225 HydrophobicContact CD2-CD2 3.61Å; F197-Y225 HydrophobicContact CD2-CE2 4.32Å; F197-Y225 AromaticContact CD2-CG 3.86Å; F197-Y225 HydrophobicContact CD2-CG 3.86Å; F197-Y225 AromaticContact CE2-CD2 3.68Å; F197-Y225 HydrophobicContact CE2-CD2 3.68Å; F197-Y225 HydrophobicContact CE2-CE2 4.11Å; F197-Y225 HydrophobicContact CE2-CG 4.38Å; F197-Y225 HydrophobicContact CG-CD2 4.15Å; F197-Y225 HydrophobicContact CG-CG 4.15Å; F197-Y225 HydrophobicContact CZ-CD2 4.25Å; V199-Y225 HydrophobicContact CB-CE1 4.14Å; V199-Y225 HydrophobicContact CG1-CD1 3.59Å; V199-Y225 HydrophobicContact CG1-CE1 3.67Å; V199-Y225 HydrophobicContact CG1-CG 4.18Å; V199-Y225 HydrophobicContact CG2-CD1 4.43Å; V199-Y225 HydrophobicContact CG2-CE1 3.94Å; V199-Y225 HydrophobicContact CG2-CE2 4.07Å; F214-Y225 WeakPolarHBondContact CB-OH 3.37Å; F214-Y225 WeakPolarHBondContact CD2-OH 3.49Å; F214-Y225 PolarHBondContact N-OH 3.35Å; F214-Y225 WeakPolarHBondContact O-CE1 3.24Å; N220-Y225 PolarHBondContact ND2-O 3.34Å; N220-Y225 WeakPolarHBondContact OD1-CB 3.31Å; N220-Y225 PolarHBondContact OD1-N 2.88Å; N220-Y225 VanDerWaalsContact OD1-N 3.1Å; Y225-A227 HydrophobicContact CE1-CB 4.22Å; Y225-G230 WeakPolarHBondContact OH-CA 3.29Å; Y225-G230 PolarHBondContact OH-O 2.78Å; Y225-F232 HydrophobicContact CD2-CB 4.2Å; Y225-F315 HydrophobicContact CE2-CD1 4.21Å; Y225-F315 HydrophobicContact CE2-CE1 4.29Å |
| 226 | N | 97.2 | Very high | 95.5 | Very high | 77 Ų | 77 | 47.2 Ų | 47.2 | 41% | 0.412 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 107.1 | 176 | -176.5 | -17.1 | 0 | 0 | 0 | 111.1 | S228 S229 G230 K231 | N226-S228 PolarHBondContact O-N 3.44Å; N226-S228 VanDerWaalsContact OD1-CB 3.31Å; N226-S228 WeakPolarHBondContact OD1-CB 3.41Å; N226-S228 PolarHBondContact OD1-N 3.02Å; N226-S229 WeakPolarHBondContact CB-OG 3.45Å; N226-S229 PolarHBondContact O-N 2.83Å; N226-S229 PolarHBondContact O-OG 2.96Å; N226-S229 PolarHBondContact OD1-N 2.88Å; N226-G230 PolarHBondContact O-N 3.02Å; N226-K231 PolarHBondContact N-O 3.2Å; N226-K231 PolarHBondContact O-N 3.39Å |
| 227 | A | 95.8 | Very high | 95.5 | Very high | 26 Ų | 26 | 45.6 Ų | 45.6 | 22% | 0.215 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -25.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | I217 Y225 | I217-A227 HydrophobicContact CD1-CB 4.24Å; I217-A227 HydrophobicContact CG1-CB 4.41Å; Y225-A227 HydrophobicContact CE1-CB 4.22Å |
| 228 | S | 95.1 | Very high | 95.4 | Very high | 92 Ų | 92 | 41.5 Ų | 41.5 | 64% | 0.643 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -34 | 179.5 | -61 | 0 | 0 | 0 | 0 | 112.2 | K213 N226 | K213-S228 WeakPolarHBondContact CD-O 3.28Å; K213-S228 WeakPolarHBondContact CE-O 3.37Å; K213-S228 PolarHBondContact NZ-O 2.87Å; N226-S228 PolarHBondContact O-N 3.44Å; N226-S228 VanDerWaalsContact OD1-CB 3.31Å; N226-S228 WeakPolarHBondContact OD1-CB 3.41Å; N226-S228 PolarHBondContact OD1-N 3.02Å |
| 229 | S | 95.8 | Very high | 95.4 | Very high | 40 Ų | 40 | 39.6 Ų | 39.6 | 28% | 0.28 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -23.8 | 178.2 | 66.5 | 0 | 0 | 0 | 0 | 113.2 | P211 N226 K231 | P211-S229 WeakPolarHBondContact CB-O 3.38Å; N226-S229 WeakPolarHBondContact CB-OG 3.45Å; N226-S229 PolarHBondContact O-N 2.83Å; N226-S229 PolarHBondContact O-OG 2.96Å; N226-S229 PolarHBondContact OD1-N 2.88Å; S229-K231 VanDerWaalsContact C-N 3.3Å; S229-K231 PolarHBondContact OG-N 3.31Å |
| 230 | G | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 9.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | I212 Y225 N226 | I212-G230 WeakPolarHBondContact O-CA 3.49Å; Y225-G230 WeakPolarHBondContact OH-CA 3.29Å; Y225-G230 PolarHBondContact OH-O 2.78Å; N226-G230 PolarHBondContact O-N 3.02Å |
| 231 | K | 97.9 | Very high | 95.6 | Very high | 42 Ų | 42 | 36.1 Ų | 36.1 | 18% | 0.183 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 143.4 | -172.2 | -55.7 | -172.6 | 174.6 | -178.3 | 0 | 112.2 | P211 N226 S229 E291 W293 | P211-K231 HydrophobicContact CB-CG 4.45Å; N226-K231 PolarHBondContact N-O 3.2Å; N226-K231 PolarHBondContact O-N 3.39Å; S229-K231 VanDerWaalsContact C-N 3.3Å; S229-K231 PolarHBondContact OG-N 3.31Å; K231-E291 IonicContact NZ-OE1 3.96Å; K231-E291 IonicContact NZ-OE2 3.96Å; K231-E291 PolarHBondContact NZ-OE2 3.27Å; K231-W293 HydrophobicContact CB-CB 4.34Å; K231-W293 HydrophobicContact CD-CD2 4.46Å; K231-W293 HydrophobicContact CD-CE3 4.16Å; K231-W293 HydrophobicContact CG-CB 3.95Å; K231-W293 HydrophobicContact CG-CD2 4.38Å; K231-W293 HydrophobicContact CG-CE3 4.38Å; K231-W293 HydrophobicContact CG-CG 4.24Å |
| 232 | F | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 131.8 | 160.1 | 174.5 | -97.6 | 0 | 0 | 0 | 109.2 | F197 H224 Y225 C234 Y240 F242 L286 E291 V292 | F197-F232 HydrophobicContact CD1-CB 4.48Å; F197-F232 AromaticContact CD1-CD2 3.28Å; F197-F232 HydrophobicContact CD1-CD2 3.28Å; F197-F232 AromaticContact CD1-CE2 3.71Å; F197-F232 HydrophobicContact CD1-CE2 3.71Å; F197-F232 HydrophobicContact CD1-CG 4.11Å; F197-F232 HydrophobicContact CE1-CB 3.79Å; F197-F232 HydrophobicContact CE1-CD1 4.47Å; F197-F232 AromaticContact CE1-CD2 3.22Å; F197-F232 HydrophobicContact CE1-CD2 3.22Å; F197-F232 AromaticContact CE1-CE2 3.84Å; F197-F232 HydrophobicContact CE1-CE2 3.84Å; F197-F232 AromaticContact CE1-CG 3.57Å; F197-F232 HydrophobicContact CE1-CG 3.57Å; F197-F232 HydrophobicContact CG-CD2 4.32Å; F197-F232 HydrophobicContact CZ-CB 3.99Å; F197-F232 HydrophobicContact CZ-CD2 4.22Å; F197-F232 HydrophobicContact CZ-CG 4.27Å; H224-F232 HydrophobicContact CB-CD2 3.9Å; H224-F232 HydrophobicContact CB-CE2 3.4Å; H224-F232 VanDerWaalsContact CB-CE2 3.4Å; H224-F232 HydrophobicContact CB-CZ 4.09Å; Y225-F232 HydrophobicContact CD2-CB 4.2Å; F232-C234 HydrophobicContact CE1-CB 4.13Å; F232-Y240 HydrophobicContact CE1-CD1 4.3Å; F232-Y240 HydrophobicContact CE1-CE1 4.06Å; F232-Y240 HydrophobicContact CE2-CE1 4.46Å; F232-Y240 HydrophobicContact CZ-CD1 4.05Å; F232-Y240 AromaticContact CZ-CE1 3.5Å; F232-Y240 HydrophobicContact CZ-CE1 3.5Å; F232-F242 AromaticContact CD1-CE1 3.97Å; F232-F242 HydrophobicContact CD1-CE1 3.97Å; F232-F242 AromaticContact CD1-CZ 3.8Å; F232-F242 HydrophobicContact CD1-CZ 3.8Å; F232-F242 HydrophobicContact CE1-CE1 4.41Å; F232-F242 AromaticContact CE1-CZ 3.95Å; F232-F242 HydrophobicContact CE1-CZ 3.95Å; F232-F242 HydrophobicContact CG-CE1 4.22Å; F232-L286 HydrophobicContact CD1-CD1 4.31Å; F232-L286 HydrophobicContact CE1-CD1 3.79Å; F232-E291 CarbonylContact O-C 3.59Å; F232-E291 WeakPolarHBondContact O-CA 3.13Å; F232-V292 HydrophobicContact CB-CB 4.48Å; F232-V292 WeakPolarHBondContact CB-O 3.44Å; F232-V292 HydrophobicContact CD1-CB 4.31Å; F232-V292 PolarHBondContact N-O 3.42Å; F232-V292 PolarHBondContact O-N 3.37Å |
| 233 | V | 97.8 | Very high | 96.3 | Very high | 57 Ų | 57 | 31.1 Ų | 31.1 | 35% | 0.345 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 119.2 | 175.1 | -175.7 | 0 | 0 | 0 | 0 | 108 | H224 G235 E291 | H224-V233 WeakPolarHBondContact CB-O 3.36Å; H224-V233 PolarHBondContact O-N 3.33Å; V233-G235 PolarHBondContact O-N 2.81Å; V233-G235 VanDerWaalsContact O-N 3.1Å; V233-E291 HydrophobicContact CG2-CG 4.39Å |
| 234 | C | 96.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.014 | 17% | 0.17 | C | C | . | . | trans | -65.6 | 110.3 | -176.6 | -174.8 | 0 | 0 | 0 | 0 | 111.1 | F232 V236 L286 K287 G289 D290 | F232-C234 HydrophobicContact CE1-CB 4.13Å; C234-V236 PolarHBondContact SG-O 3Å; C234-L286 HydrophobicContact CB-CB 4.06Å; C234-L286 HydrophobicContact CB-CD1 4.16Å; C234-K287 VanDerWaalsContact CB-O 3.24Å; C234-K287 WeakPolarHBondContact CB-O 3.43Å; C234-K287 PolarHBondContact SG-O 2.86Å; C234-G289 PolarHBondContact O-N 2.81Å; C234-D290 HydrophobicContact CB-CB 4.23Å; C234-D290 WeakPolarHBondContact CB-O 3.32Å; C234-D290 PolarHBondContact N-O 2.83Å | ||
| 235 | G | 92.6 | Very high | 96.5 | Very high | 25 Ų | 25 | 29.8 Ų | 29.8 | 26% | 0.258 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -87.7 | -23.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | V233 Q288 | V233-G235 PolarHBondContact O-N 2.81Å; V233-G235 VanDerWaalsContact O-N 3.1Å; G235-Q288 PolarHBondContact O-NE2 2.68Å |
| 236 | V | 93.3 | Very high | 96.5 | Very high | 14 Ų | 14 | 29.5 Ų | 29.5 | 9% | 0.085 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -128.3 | 113.4 | -172.7 | -179.2 | 0 | 0 | 0 | 0 | 108.5 | T193 C234 Y240 L319 A322 | T193-V236 HydrophobicContact CG2-CG1 4.26Å; T193-V236 HydrophobicContact CG2-CG2 4.06Å; T193-V236 WeakPolarHBondContact OG1-CG1 3.32Å; C234-V236 PolarHBondContact SG-O 3Å; V236-Y240 VanDerWaalsContact O-CE2 3.22Å; V236-Y240 WeakPolarHBondContact O-CE2 3.5Å; V236-Y240 PolarHBondContact O-OH 3.45Å; V236-L319 HydrophobicContact CB-CD2 4.32Å; V236-L319 HydrophobicContact CG1-CD2 3.72Å; V236-A322 HydrophobicContact CG1-CB 4.31Å |
| 237 | P | 94.4 | Very high | 96.4 | Very high | 37 Ų | 37 | 26.4 Ų | 26.4 | 24% | 0.24 | 16% | 0.16 | C | C | . | . | trans | -64.1 | 144.6 | 179.9 | 28.1 | -34 | 0 | 0 | 0 | 111.3 | L286 D323 | P237-L286 VanDerWaalsContact CA-O 3.32Å; P237-L286 WeakPolarHBondContact CA-O 3.39Å; P237-D323 HydrophobicContact CB-CB 4.44Å; P237-D323 PolarHBondContact O-N 2.97Å | ||
| 238 | G | 94.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 150.9 | -161.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | A285 L286 Y321 | G238-A285 WeakPolarHBondContact O-CA 3.37Å; G238-L286 PolarHBondContact N-O 2.87Å; G238-L286 PolarHBondContact O-N 3Å; G238-Y321 CarbonylContact C-O 3.53Å; G238-Y321 VanDerWaalsContact CA-O 3.24Å; G238-Y321 WeakPolarHBondContact CA-O 3.4Å |
| 239 | I | 96.3 | Very high | 96.2 | Very high | 50 Ų | 50 | 20.9 Ų | 20.9 | 26% | 0.256 | 12% | 0.12 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 121.4 | -177.4 | -53.5 | -56.3 | 0 | 0 | 0 | 110.2 | I283 A285 I320 Y321 | I239-I283 HydrophobicContact CG2-CG2 3.3Å; I239-A285 HydrophobicContact CD1-CB 3.59Å; I239-I320 HydrophobicContact CG2-CD1 4.28Å; I239-I320 WeakPolarHBondContact O-CB 3.32Å; I239-I320 PolarHBondContact O-N 2.9Å; I239-Y321 HydrophobicContact CB-CD2 4.38Å; I239-Y321 PolarHBondContact N-O 2.89Å; I239-Y321 PolarHBondContact O-N 3.32Å |
| 240 | Y | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 143.5 | -179.1 | -76.3 | -98.1 | 0 | 0 | 0 | 111.8 | S195 F232 V236 F242 I283 L284 L286 F318 L319 | S195-Y240 WeakPolarHBondContact CB-OH 3.35Å; S195-Y240 VanDerWaalsContact OG-CE1 3.29Å; S195-Y240 WeakPolarHBondContact OG-CE1 3.45Å; S195-Y240 PolarHBondContact OG-OH 3.03Å; F232-Y240 HydrophobicContact CE1-CD1 4.3Å; F232-Y240 HydrophobicContact CE1-CE1 4.06Å; F232-Y240 HydrophobicContact CE2-CE1 4.46Å; F232-Y240 HydrophobicContact CZ-CD1 4.05Å; F232-Y240 AromaticContact CZ-CE1 3.5Å; F232-Y240 HydrophobicContact CZ-CE1 3.5Å; V236-Y240 VanDerWaalsContact O-CE2 3.22Å; V236-Y240 WeakPolarHBondContact O-CE2 3.5Å; V236-Y240 PolarHBondContact O-OH 3.45Å; Y240-F242 VanDerWaalsContact CB-CE2 3.42Å; Y240-F242 HydrophobicContact CD1-CZ 4.32Å; Y240-F242 HydrophobicContact CG-CE2 4.22Å; Y240-F242 HydrophobicContact CG-CZ 4.32Å; Y240-I283 CarbonylContact O-C 3.57Å; Y240-I283 VanDerWaalsContact O-CA 3.24Å; Y240-I283 WeakPolarHBondContact O-CA 3.15Å; Y240-L284 PolarHBondContact N-O 3.15Å; Y240-L284 PolarHBondContact O-N 3.46Å; Y240-L286 HydrophobicContact CD2-CB 3.91Å; Y240-L286 HydrophobicContact CD2-CD1 3.66Å; Y240-L286 HydrophobicContact CD2-CG 3.85Å; Y240-L286 HydrophobicContact CE2-CB 4.12Å; Y240-L286 HydrophobicContact CE2-CD1 4.14Å; Y240-L286 HydrophobicContact CE2-CG 4.46Å; Y240-L286 HydrophobicContact CG-CD1 3.86Å; Y240-L286 HydrophobicContact CG-CG 4.37Å; Y240-F318 WeakPolarHBondContact CA-O 3.47Å; Y240-L319 HydrophobicContact CD1-CB 4.19Å; Y240-L319 HydrophobicContact CD2-CD1 4Å; Y240-L319 HydrophobicContact CE1-CB 3.71Å; Y240-L319 HydrophobicContact CE1-CD1 4.18Å; Y240-L319 HydrophobicContact CE2-CD1 3.53Å |
| 241 | Y | 98.4 | Very high | 95.7 | Very high | 68 Ų | 68 | 29.4 Ų | 29.4 | 27% | 0.267 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 132 | 165.2 | -178.5 | -104.2 | 0 | 0 | 0 | 109.3 | T243 S281 I283 G317 F318 | Y241-T243 HydrophobicContact CE1-CG2 3.91Å; Y241-S281 WeakPolarHBondContact OH-CB 3.33Å; Y241-S281 PolarHBondContact OH-OG 2.95Å; Y241-I283 HydrophobicContact CD2-CG1 3.91Å; Y241-G317 CarbonylContact O-C 3.59Å; Y241-G317 WeakPolarHBondContact O-CA 3.34Å; Y241-F318 HydrophobicContact CD1-CD1 4.36Å; Y241-F318 AromaticContact CD1-CE1 3.5Å; Y241-F318 HydrophobicContact CD1-CE1 3.5Å; Y241-F318 AromaticContact CD1-CZ 3.69Å; Y241-F318 HydrophobicContact CD1-CZ 3.69Å; Y241-F318 HydrophobicContact CE1-CE1 4.32Å; Y241-F318 HydrophobicContact CG-CE1 4.29Å; Y241-F318 HydrophobicContact CG-CZ 4.12Å; Y241-F318 PolarHBondContact N-O 3.36Å; Y241-F318 PolarHBondContact O-N 2.88Å |
| 242 | F | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 138.2 | 172.7 | -66.7 | -85.8 | 0 | 0 | 0 | 109.8 | F197 F232 Y240 L257 S281 T282 L284 L286 V292 F315 T316 | F197-F242 HydrophobicContact CE1-CD1 4.23Å; F197-F242 AromaticContact CE1-CE1 3.74Å; F197-F242 HydrophobicContact CE1-CE1 3.74Å; F197-F242 HydrophobicContact CZ-CD1 4.06Å; F197-F242 AromaticContact CZ-CE1 3.91Å; F197-F242 HydrophobicContact CZ-CE1 3.91Å; F232-F242 AromaticContact CD1-CE1 3.97Å; F232-F242 HydrophobicContact CD1-CE1 3.97Å; F232-F242 AromaticContact CD1-CZ 3.8Å; F232-F242 HydrophobicContact CD1-CZ 3.8Å; F232-F242 HydrophobicContact CE1-CE1 4.41Å; F232-F242 AromaticContact CE1-CZ 3.95Å; F232-F242 HydrophobicContact CE1-CZ 3.95Å; F232-F242 HydrophobicContact CG-CE1 4.22Å; Y240-F242 VanDerWaalsContact CB-CE2 3.42Å; Y240-F242 HydrophobicContact CD1-CZ 4.32Å; Y240-F242 HydrophobicContact CG-CE2 4.22Å; Y240-F242 HydrophobicContact CG-CZ 4.32Å; F242-L257 HydrophobicContact CB-CD1 3.68Å; F242-L257 HydrophobicContact CG-CD1 4.29Å; F242-S281 CarbonylContact O-C 2.96Å; F242-S281 WeakPolarHBondContact O-CA 3.28Å; F242-S281 WeakPolarHBondContact O-CB 3.21Å; F242-T282 PolarHBondContact N-O 3.39Å; F242-T282 PolarHBondContact O-N 2.97Å; F242-L284 HydrophobicContact CD2-CB 4.47Å; F242-L284 HydrophobicContact CD2-CD1 4.03Å; F242-L284 HydrophobicContact CD2-CG 4.33Å; F242-L284 HydrophobicContact CE2-CB 4.31Å; F242-L284 HydrophobicContact CE2-CD1 4.11Å; F242-L286 HydrophobicContact CE2-CD1 3.81Å; F242-L286 HydrophobicContact CZ-CD1 3.72Å; F242-V292 HydrophobicContact CD1-CG1 4.13Å; F242-V292 HydrophobicContact CD2-CG1 4.44Å; F242-V292 HydrophobicContact CE1-CB 4.1Å; F242-V292 HydrophobicContact CE1-CG1 3.9Å; F242-V292 HydrophobicContact CE2-CG1 4.25Å; F242-V292 HydrophobicContact CE2-CG2 4.14Å; F242-V292 HydrophobicContact CG-CG1 4.38Å; F242-V292 HydrophobicContact CZ-CB 3.97Å; F242-V292 HydrophobicContact CZ-CG1 3.99Å; F242-V292 HydrophobicContact CZ-CG2 3.89Å; F242-F315 HydrophobicContact CB-CE2 4.38Å; F242-F315 AromaticContact CD1-CE2 3.93Å; F242-F315 HydrophobicContact CD1-CE2 3.93Å; F242-F315 AromaticContact CD1-CZ 3.9Å; F242-F315 HydrophobicContact CD1-CZ 3.9Å; F242-F315 HydrophobicContact CE1-CZ 4.41Å; F242-T316 WeakPolarHBondContact CA-O 3.48Å |
| 243 | T | 98.3 | Very high | 95.4 | Very high | 26 Ų | 26 | 31.9 Ų | 31.9 | 16% | 0.16 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 150.8 | 174 | -169.2 | 0 | 0 | 0 | 0 | 110.6 | Y241 G280 F315 T316 | Y241-T243 HydrophobicContact CE1-CG2 3.91Å; T243-G280 CarbonylContact C-O 3.5Å; T243-G280 WeakPolarHBondContact CA-O 3.19Å; T243-F315 WeakPolarHBondContact O-CD2 3.36Å; T243-T316 HydrophobicContact CG2-CG2 4.47Å; T243-T316 PolarHBondContact N-O 2.85Å; T243-T316 PolarHBondContact O-N 3.15Å |
| 244 | Y | 97.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 0% | 0.004 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 148.3 | 171.8 | 53.1 | -91.9 | 0 | 0 | 0 | 110.2 | I246 I255 L257 I265 T267 S279 G280 L294 L314 | Y244-I246 HydrophobicContact CD2-CG1 3.89Å; Y244-I255 HydrophobicContact CE2-CG2 4Å; Y244-L257 HydrophobicContact CD1-CD1 4.36Å; Y244-L257 HydrophobicContact CE1-CB 4.13Å; Y244-L257 HydrophobicContact CE1-CD1 4.23Å; Y244-I265 HydrophobicContact CE1-CD1 4.22Å; Y244-I265 WeakPolarHBondContact OH-CG2 3.35Å; Y244-T267 PolarHBondContact OH-OG1 2.9Å; Y244-S279 WeakPolarHBondContact O-CA 3.35Å; Y244-S279 WeakPolarHBondContact O-CB 3.04Å; Y244-G280 VanDerWaalsContact CD1-O 3.28Å; Y244-G280 WeakPolarHBondContact CD1-O 3.29Å; Y244-G280 WeakPolarHBondContact CE1-O 2.99Å; Y244-G280 PolarHBondContact N-O 2.81Å; Y244-G280 PolarHBondContact O-N 2.91Å; Y244-L294 HydrophobicContact CD1-CD1 4.1Å; Y244-L294 HydrophobicContact CD1-CD2 3.58Å; Y244-L294 HydrophobicContact CD1-CG 4.41Å; Y244-L294 HydrophobicContact CE1-CD2 3.71Å; Y244-L294 HydrophobicContact CG-CD1 3.92Å; Y244-L294 HydrophobicContact CG-CD2 4.04Å; Y244-L314 WeakPolarHBondContact CA-O 3.49Å; Y244-L314 VanDerWaalsContact CB-O 3.28Å; Y244-L314 WeakPolarHBondContact CB-O 3.29Å |
| 245 | D | 97 | Very high | 95.3 | Very high | 61 Ų | 61 | 29.1 Ų | 29.1 | 33% | 0.326 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 110.8 | 178.2 | -61.8 | -64.8 | 0 | 0 | 0 | 106.6 | S279 S313 L314 | D245-S279 VanDerWaalsContact OD1-CB 3.23Å; D245-S279 WeakPolarHBondContact OD1-CB 3.35Å; D245-S279 PolarHBondContact OD1-OG 3.23Å; D245-S313 CarbonylContact O-C 3.53Å; D245-S313 VanDerWaalsContact O-CA 3.27Å; D245-S313 WeakPolarHBondContact O-CA 3.49Å; D245-L314 PolarHBondContact N-O 2.84Å; D245-L314 PolarHBondContact O-N 2.93Å |
| 246 | I | 96.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 118.3 | -171 | -54.4 | -61.8 | 0 | 0 | 0 | 109 | F214 Y244 L253 I255 V277 A278 L304 | F214-I246 HydrophobicContact CE1-CD1 4.39Å; F214-I246 HydrophobicContact CZ-CD1 4.36Å; Y244-I246 HydrophobicContact CD2-CG1 3.89Å; I246-L253 HydrophobicContact CB-CD2 4.03Å; I246-L253 HydrophobicContact CG2-CD1 4.41Å; I246-L253 HydrophobicContact CG2-CD2 3.67Å; I246-I255 HydrophobicContact CD1-CD1 4.12Å; I246-I255 HydrophobicContact CG1-CD1 3.89Å; I246-V277 WeakPolarHBondContact O-CA 3.41Å; I246-A278 PolarHBondContact N-O 2.93Å; I246-A278 PolarHBondContact O-N 2.83Å; I246-L304 HydrophobicContact CD1-CD1 4.28Å; I246-L304 HydrophobicContact CG2-CB 4.12Å; I246-L304 HydrophobicContact CG2-CD1 3.88Å; I246-L304 HydrophobicContact CG2-CG 3.75Å |
| 247 | T | 95.4 | Very high | 95.8 | Very high | 13 Ų | 13 | 27.2 Ų | 27.2 | 8% | 0.08 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 133.2 | 168.6 | -55.7 | 0 | 0 | 0 | 0 | 108.9 | D276 F305 T311 D312 S313 | T247-D276 WeakPolarHBondContact CA-O 3.16Å; T247-F305 HydrophobicContact CG2-CD1 4.47Å; T247-F305 PolarHBondContact O-N 2.89Å; T247-T311 HydrophobicContact CG2-CG2 3.94Å; T247-D312 PolarHBondContact OG1-O 2.54Å; T247-S313 PolarHBondContact N-OG 2.92Å |
| 248 | L | 93.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 143 | 177.9 | 66.7 | 119.4 | 0 | 0 | 0 | 112.9 | L253 D269 N271 H275 D276 A278 G303 | L248-L253 HydrophobicContact CB-CB 4.16Å; L248-L253 HydrophobicContact CB-CD2 4.32Å; L248-L253 HydrophobicContact CD1-CB 4.48Å; L248-L253 HydrophobicContact CD2-CB 4.3Å; L248-L253 HydrophobicContact CD2-CD2 4.07Å; L248-D269 HydrophobicContact CD1-CB 4.38Å; L248-D269 HydrophobicContact CD2-CB 3.68Å; L248-N271 HydrophobicContact CD1-CB 3.69Å; L248-H275 WeakPolarHBondContact O-CA 3.35Å; L248-D276 HydrophobicContact CD1-CB 4.08Å; L248-D276 HydrophobicContact CD2-CB 3.96Å; L248-D276 HydrophobicContact CG-CB 3.88Å; L248-D276 PolarHBondContact N-O 3.09Å; L248-D276 PolarHBondContact O-N 2.94Å; L248-D276 VanDerWaalsContact O-N 3.15Å; L248-A278 HydrophobicContact CD2-CB 3.74Å; L248-G303 CarbonylContact C-O 3.58Å; L248-G303 WeakPolarHBondContact CA-O 3.38Å |
| 249 | A | 93 | Very high | 96.1 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.008 | 13% | 0.128 | C | C | . | . | trans | -149 | 146.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y205 K251 N271 H275 G303 F305 | Y205-A249 PolarHBondContact OH-O 3.01Å; A249-K251 PolarHBondContact O-N 3.2Å; A249-N271 VanDerWaalsContact C-ND2 3.34Å; A249-N271 WeakPolarHBondContact CA-ND2 3.41Å; A249-H275 VanDerWaalsContact CB-ND1 3.34Å; A249-H275 WeakPolarHBondContact CB-ND1 3.49Å; A249-G303 PolarHBondContact N-O 2.88Å; A249-F305 HydrophobicContact CB-CB 3.59Å; A249-F305 HydrophobicContact CB-CD1 3.99Å; A249-F305 HydrophobicContact CB-CD2 3.74Å; A249-F305 HydrophobicContact CB-CE2 4.43Å; A249-F305 HydrophobicContact CB-CG 3.48Å; A249-F305 VanDerWaalsContact CB-CG 3.48Å | ||
| 250 | N | 90.9 | Very high | 96.1 | Very high | 125 Ų | 125 | 27.6 Ų | 27.6 | 67% | 0.668 | 14% | 0.136 | S | C | * | . | S | Bend | trans | 63.2 | -25.1 | 175 | -52.9 | -52.3 | 0 | 0 | 0 | 117.3 | Y205 N271 | Y205-N250 PolarHBondContact OH-ND2 2.87Å; N250-N271 PolarHBondContact N-ND2 3.15Å; N250-N271 VanDerWaalsContact N-ND2 3.16Å |
| 251 | K | 92.1 | Very high | 95.9 | Very high | 95 Ų | 95 | 30 Ų | 30 | 41% | 0.413 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -134.5 | 157.6 | 179.4 | -59 | -179.5 | 179.1 | -177.1 | 0 | 110.4 | A249 N271 G303 | A249-K251 PolarHBondContact O-N 3.2Å; K251-N271 WeakPolarHBondContact O-CB 3.37Å; K251-G303 VanDerWaalsContact O-CA 3.29Å; K251-G303 WeakPolarHBondContact O-CA 3.04Å |
| 252 | H | 94.1 | Very high | 95.8 | Very high | 94 Ų | 94 | 32.6 Ų | 32.6 | 44% | 0.435 | 18% | 0.176 | S | C | . | . | trans | -64.2 | 154.3 | 169.3 | -49.2 | -52.4 | 0 | 0 | 0 | 110.8 | D269 N271 Q301 N302 G303 | H252-D269 WeakPolarHBondContact CA-O 3.45Å; H252-N271 PolarHBondContact CE1-O 2.8Å; H252-N271 PolarHBondContact ND1-N 2.86Å; H252-N271 PolarHBondContact ND1-O 3.43Å; H252-Q301 HydrophobicContact CB-CG 4.27Å; H252-Q301 CarbonylContact O-C 3.55Å; H252-Q301 WeakPolarHBondContact O-CA 3.47Å; H252-N302 PolarHBondContact O-N 2.91Å; H252-G303 WeakPolarHBondContact O-CA 3.34Å; H252-G303 PolarHBondContact O-N 3.21Å | ||
| 253 | L | 95.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 128 | 179.9 | -178.2 | 70.3 | 0 | 0 | 0 | 110.4 | I246 L248 I255 F268 D269 A278 L304 | I246-L253 HydrophobicContact CB-CD2 4.03Å; I246-L253 HydrophobicContact CG2-CD1 4.41Å; I246-L253 HydrophobicContact CG2-CD2 3.67Å; L248-L253 HydrophobicContact CB-CB 4.16Å; L248-L253 HydrophobicContact CB-CD2 4.32Å; L248-L253 HydrophobicContact CD1-CB 4.48Å; L248-L253 HydrophobicContact CD2-CB 4.3Å; L248-L253 HydrophobicContact CD2-CD2 4.07Å; L253-I255 HydrophobicContact CD1-CB 4.29Å; L253-I255 HydrophobicContact CD2-CG2 4.05Å; L253-I255 HydrophobicContact CG-CB 4.3Å; L253-I255 HydrophobicContact CG-CG2 4.23Å; L253-F268 CarbonylContact O-C 3.58Å; L253-F268 WeakPolarHBondContact O-CA 3.4Å; L253-D269 HydrophobicContact CB-CB 4.39Å; L253-D269 PolarHBondContact N-O 2.83Å; L253-D269 PolarHBondContact O-N 2.75Å; L253-A278 HydrophobicContact CD2-CB 3.82Å; L253-L304 HydrophobicContact CD1-CB 4.12Å |
| 254 | A | 95.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 91.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | T267 F268 I296 F297 Q301 | A254-T267 WeakPolarHBondContact CA-O 3.31Å; A254-F268 HydrophobicContact CB-CD1 3.94Å; A254-F268 HydrophobicContact CB-CE1 4.13Å; A254-I296 WeakPolarHBondContact O-CA 3.46Å; A254-F297 HydrophobicContact CB-CE1 4.01Å; A254-F297 HydrophobicContact CB-CE2 4.1Å; A254-F297 HydrophobicContact CB-CZ 3.75Å; A254-F297 WeakPolarHBondContact O-CD1 3.21Å; A254-F297 PolarHBondContact O-N 3.04Å; A254-Q301 HydrophobicContact CB-CB 3.8Å; A254-Q301 VanDerWaalsContact CB-OE1 3.29Å; A254-Q301 PolarHBondContact N-O 3.23Å |
| 255 | I | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 140.7 | -177.1 | -165.1 | 174.3 | 0 | 0 | 0 | 110.7 | I212 Y244 I246 L253 T267 L294 | I212-I255 HydrophobicContact CD1-CD1 3.67Å; I212-I255 HydrophobicContact CD1-CG1 4.07Å; Y244-I255 HydrophobicContact CE2-CG2 4Å; I246-I255 HydrophobicContact CD1-CD1 4.12Å; I246-I255 HydrophobicContact CG1-CD1 3.89Å; L253-I255 HydrophobicContact CD1-CB 4.29Å; L253-I255 HydrophobicContact CD2-CG2 4.05Å; L253-I255 HydrophobicContact CG-CB 4.3Å; L253-I255 HydrophobicContact CG-CG2 4.23Å; I255-T267 PolarHBondContact N-O 3.05Å; I255-T267 PolarHBondContact O-N 2.82Å; I255-L294 HydrophobicContact CD1-CB 4.1Å; I255-L294 HydrophobicContact CD1-CD1 4.16Å; I255-L294 HydrophobicContact CD1-CD2 4.2Å; I255-L294 HydrophobicContact CD1-CG 4.4Å; I255-L294 HydrophobicContact CG1-CB 4.36Å; I255-L294 HydrophobicContact CG1-CD2 4.26Å |
| 256 | G | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 139.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I265 L294 Q295 | G256-I265 CarbonylContact C-O 3.4Å; G256-I265 WeakPolarHBondContact CA-O 3.4Å; G256-L294 WeakPolarHBondContact O-CA 3.36Å; G256-Q295 PolarHBondContact N-O 3.15Å; G256-Q295 PolarHBondContact O-N 3Å |
| 257 | L | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 122.6 | 166.9 | -172.3 | 148.9 | 0 | 0 | 0 | 108.5 | F242 Y244 Y263 R264 I265 T282 L284 V292 L294 F315 | F242-L257 HydrophobicContact CB-CD1 3.68Å; F242-L257 HydrophobicContact CG-CD1 4.29Å; Y244-L257 HydrophobicContact CD1-CD1 4.36Å; Y244-L257 HydrophobicContact CE1-CB 4.13Å; Y244-L257 HydrophobicContact CE1-CD1 4.23Å; L257-Y263 WeakPolarHBondContact O-CA 3.24Å; L257-R264 HydrophobicContact CD2-CB 3.95Å; L257-R264 HydrophobicContact CD2-CG 4.35Å; L257-R264 PolarHBondContact O-N 2.98Å; L257-I265 HydrophobicContact CB-CB 4.15Å; L257-I265 HydrophobicContact CB-CD1 4.42Å; L257-I265 HydrophobicContact CB-CG1 4.3Å; L257-I265 PolarHBondContact N-O 2.94Å; L257-I265 PolarHBondContact O-N 2.87Å; L257-T282 HydrophobicContact CD1-CG2 4.44Å; L257-T282 HydrophobicContact CD2-CG2 4.33Å; L257-L284 HydrophobicContact CD2-CD1 3.81Å; L257-V292 HydrophobicContact CD1-CG1 4.43Å; L257-V292 HydrophobicContact CD2-CG1 3.84Å; L257-V292 HydrophobicContact CG-CG1 4.11Å; L257-L294 HydrophobicContact CB-CD2 3.89Å; L257-L294 HydrophobicContact CG-CD2 4.41Å; L257-F315 HydrophobicContact CD1-CE2 4.22Å |
| 258 | V | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 133.8 | -174.6 | -174.6 | 0 | 0 | 0 | 0 | 109.2 | G261 Q262 Y263 V292 W293 Q295 | V258-G261 VanDerWaalsContact CG1-C 3.48Å; V258-G261 VanDerWaalsContact CG1-CA 3.49Å; V258-Q262 CarbonylContact C-O 3.52Å; V258-Q262 WeakPolarHBondContact CA-O 3.49Å; V258-Y263 HydrophobicContact CG2-CD1 3.59Å; V258-Y263 HydrophobicContact CG2-CE1 3.59Å; V258-Y263 HydrophobicContact CG2-CG 4.38Å; V258-V292 VanDerWaalsContact O-CA 3.28Å; V258-V292 WeakPolarHBondContact O-CA 3.38Å; V258-W293 HydrophobicContact CB-CD2 3.97Å; V258-W293 HydrophobicContact CB-CE3 4.42Å; V258-W293 HydrophobicContact CB-CG 4.45Å; V258-W293 HydrophobicContact CB-CH2 4.36Å; V258-W293 HydrophobicContact CB-CZ2 3.88Å; V258-W293 HydrophobicContact CG1-CD2 4.25Å; V258-W293 HydrophobicContact CG1-CE3 4.42Å; V258-W293 HydrophobicContact CG1-CH2 3.57Å; V258-W293 HydrophobicContact CG1-CZ2 3.32Å; V258-W293 HydrophobicContact CG1-CZ3 4.11Å; V258-W293 PolarHBondContact N-O 2.85Å; V258-W293 PolarHBondContact O-N 3.42Å; V258-Q295 HydrophobicContact CG2-CG 3.69Å |
| 259 | H | 97.8 | Very high | 95.4 | Very high | 13 Ų | 13 | 54.6 Ų | 54.6 | 6% | 0.06 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 117.8 | 172.3 | 169.3 | -160.7 | 0 | 0 | 0 | 107.6 | G261 Q262 R264 L284 D290 E291 V292 | H259-G261 PolarHBondContact O-N 2.84Å; H259-G261 VanDerWaalsContact O-N 3.15Å; H259-Q262 PolarHBondContact N-O 2.92Å; H259-Q262 PolarHBondContact O-N 3.47Å; H259-R264 HydrophobicContact CB-CG 3.64Å; H259-R264 PolarHBondContact ND1-NE 2.91Å; H259-R264 PolarHBondContact ND1-NH2 2.87Å; H259-L284 HydrophobicContact CB-CD1 4.15Å; H259-D290 IonicContact CE1-OD2 3.38Å; H259-D290 IonicContact NE2-OD2 3.41Å; H259-D290 PolarHBondContact NE2-OD2 3.27Å; H259-E291 WeakPolarHBondContact CA-O 3.33Å; H259-V292 HydrophobicContact CB-CG2 4.4Å |
| 260 | N | 96.3 | Very high | 95.3 | Very high | 83 Ų | 83 | 57.6 Ų | 57.6 | 44% | 0.444 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | 41.3 | -179.6 | -68.5 | -10.3 | 0 | 0 | 0 | 113.5 | Q262 D290 E291 | N260-Q262 VanDerWaalsContact C-N 3.3Å; N260-Q262 PolarHBondContact O-N 3.32Å; N260-D290 PolarHBondContact ND2-OD1 3.03Å; N260-E291 PolarHBondContact N-O 3.14Å; N260-E291 PolarHBondContact OD1-N 2.89Å |
| 261 | G | 94.1 | Very high | 95.2 | Very high | 51 Ų | 51 | 52.3 Ų | 52.3 | 53% | 0.526 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | -7.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | V258 H259 W293 | V258-G261 VanDerWaalsContact CG1-C 3.48Å; V258-G261 VanDerWaalsContact CG1-CA 3.49Å; H259-G261 PolarHBondContact O-N 2.84Å; H259-G261 VanDerWaalsContact O-N 3.15Å; G261-W293 VanDerWaalsContact N-CH2 3.32Å |
| 262 | Q | 96.3 | Very high | 94.8 | Very high | 122 Ų | 122 | 53.8 Ų | 53.8 | 57% | 0.57 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 134.7 | 175.6 | -64.6 | -172.8 | -12.7 | 0 | 0 | 111.8 | V258 H259 N260 R264 | V258-Q262 CarbonylContact C-O 3.52Å; V258-Q262 WeakPolarHBondContact CA-O 3.49Å; H259-Q262 PolarHBondContact N-O 2.92Å; H259-Q262 PolarHBondContact O-N 3.47Å; N260-Q262 VanDerWaalsContact C-N 3.3Å; N260-Q262 PolarHBondContact O-N 3.32Å; Q262-R264 PolarHBondContact O-N 3.03Å |
| 263 | Y | 96 | Very high | 94 | Very high | 74 Ų | 74 | 52.2 Ų | 52.2 | 29% | 0.29 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 124.2 | 174.4 | -63.3 | -83.2 | 0 | 0 | 0 | 110.6 | L257 V258 R266 Q295 F297 | L257-Y263 WeakPolarHBondContact O-CA 3.24Å; V258-Y263 HydrophobicContact CG2-CD1 3.59Å; V258-Y263 HydrophobicContact CG2-CE1 3.59Å; V258-Y263 HydrophobicContact CG2-CG 4.38Å; Y263-R266 HydrophobicContact CD1-CG 4.41Å; Y263-R266 HydrophobicContact CG-CG 4.37Å; Y263-Q295 HydrophobicContact CE1-CG 4.02Å; Y263-Q295 PolarHBondContact OH-NE2 2.84Å; Y263-F297 HydrophobicContact CE1-CB 3.61Å; Y263-F297 HydrophobicContact CE1-CD1 4.11Å; Y263-F297 HydrophobicContact CE1-CG 4.11Å; Y263-F297 WeakPolarHBondContact OH-CB 3.41Å |
| 264 | R | 95.9 | Very high | 93.5 | Very high | 119 Ų | 119 | 57.6 Ų | 57.6 | 45% | 0.449 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | -36.9 | 174.2 | -60.4 | -61.5 | -178.2 | 176.7 | -1.1 | 112 | L257 H259 Q262 L284 | L257-R264 HydrophobicContact CD2-CB 3.95Å; L257-R264 HydrophobicContact CD2-CG 4.35Å; L257-R264 PolarHBondContact O-N 2.98Å; H259-R264 HydrophobicContact CB-CG 3.64Å; H259-R264 PolarHBondContact ND1-NE 2.91Å; H259-R264 PolarHBondContact ND1-NH2 2.87Å; Q262-R264 PolarHBondContact O-N 3.03Å; R264-L284 HydrophobicContact CB-CD2 4.19Å; R264-L284 HydrophobicContact CG-CD1 4.26Å; R264-L284 HydrophobicContact CG-CD2 3.87Å |
| 265 | I | 95.4 | Very high | 93.2 | Very high | 29 Ų | 29 | 62 Ų | 62 | 15% | 0.149 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 141.4 | 171.8 | -48.2 | 177.7 | 0 | 0 | 0 | 108 | Y244 G256 L257 S281 T282 | Y244-I265 HydrophobicContact CE1-CD1 4.22Å; Y244-I265 WeakPolarHBondContact OH-CG2 3.35Å; G256-I265 CarbonylContact C-O 3.4Å; G256-I265 WeakPolarHBondContact CA-O 3.4Å; L257-I265 HydrophobicContact CB-CB 4.15Å; L257-I265 HydrophobicContact CB-CD1 4.42Å; L257-I265 HydrophobicContact CB-CG1 4.3Å; L257-I265 PolarHBondContact N-O 2.94Å; L257-I265 PolarHBondContact O-N 2.87Å; I265-S281 WeakPolarHBondContact CD1-O 3.27Å; I265-T282 HydrophobicContact CD1-CG2 3.6Å; I265-T282 HydrophobicContact CG1-CG2 3.89Å |
| 266 | R | 95.7 | Very high | 93 | Very high | 146 Ų | 146 | 64.3 Ų | 64.3 | 55% | 0.551 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 123.1 | 164.2 | -64.6 | -178 | -177.1 | 175.3 | 1.8 | 107.9 | Y263 F268 F297 | Y263-R266 HydrophobicContact CD1-CG 4.41Å; Y263-R266 HydrophobicContact CG-CG 4.37Å; R266-F268 HydrophobicContact CB-CE2 3.93Å; R266-F297 HydrophobicContact CB-CE1 4.01Å; R266-F297 HydrophobicContact CB-CZ 4.02Å; R266-F297 HydrophobicContact CG-CE1 4.07Å; R266-F297 HydrophobicContact CG-CZ 4.2Å |
| 267 | T | 95.6 | Very high | 92.9 | Very high | 24 Ų | 24 | 68.7 Ų | 68.7 | 15% | 0.147 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 128.6 | -179.7 | -59.9 | 0 | 0 | 0 | 0 | 108.1 | Y244 A254 I255 A278 | Y244-T267 PolarHBondContact OH-OG1 2.9Å; A254-T267 WeakPolarHBondContact CA-O 3.31Å; I255-T267 PolarHBondContact N-O 3.05Å; I255-T267 PolarHBondContact O-N 2.82Å; T267-A278 HydrophobicContact CG2-CB 4.2Å |
| 268 | F | 94.8 | Very high | 92.7 | Very high | 124 Ų | 124 | 68.9 Ų | 68.9 | 54% | 0.544 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 132.5 | 178.5 | -61.1 | -95 | 0 | 0 | 0 | 108 | L253 A254 R266 F297 | L253-F268 CarbonylContact O-C 3.58Å; L253-F268 WeakPolarHBondContact O-CA 3.4Å; A254-F268 HydrophobicContact CB-CD1 3.94Å; A254-F268 HydrophobicContact CB-CE1 4.13Å; R266-F268 HydrophobicContact CB-CE2 3.93Å; F268-F297 HydrophobicContact CD1-CZ 4.08Å; F268-F297 AromaticContact CE1-CE2 3.55Å; F268-F297 HydrophobicContact CE1-CE2 3.55Å; F268-F297 AromaticContact CE1-CZ 3.35Å; F268-F297 HydrophobicContact CE1-CZ 3.35Å; F268-F297 AromaticContact CE2-CZ 3.88Å; F268-F297 HydrophobicContact CE2-CZ 3.88Å; F268-F297 AromaticContact CZ-CE2 3.52Å; F268-F297 HydrophobicContact CZ-CE2 3.52Å; F268-F297 AromaticContact CZ-CZ 3.25Å; F268-F297 HydrophobicContact CZ-CZ 3.25Å |
| 269 | D | 94.6 | Very high | 92.7 | Very high | 46 Ų | 46 | 71.9 Ų | 71.9 | 25% | 0.246 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 133.1 | 173.7 | -155.3 | -31.4 | 0 | 0 | 0 | 110.4 | L248 H252 L253 A278 | L248-D269 HydrophobicContact CD1-CB 4.38Å; L248-D269 HydrophobicContact CD2-CB 3.68Å; H252-D269 WeakPolarHBondContact CA-O 3.45Å; L253-D269 HydrophobicContact CB-CB 4.39Å; L253-D269 PolarHBondContact N-O 2.83Å; L253-D269 PolarHBondContact O-N 2.75Å; D269-A278 HydrophobicContact CB-CB 3.9Å |
| 270 | A | 92.3 | Very high | 92.6 | Very high | 64 Ų | 64 | 71.8 Ų | 71.8 | 53% | 0.529 | 40% | 0.399 | S | S | . | . | trans | -102 | 101 | -174.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | T272 | A270-T272 PolarHBondContact O-N 3.41Š| ||
| 271 | N | 88 | Confident | 92.7 | Very high | 15 Ų | 15 | 70.9 Ų | 70.9 | 8% | 0.08 | 40% | 0.398 | C | S | . | . | trans | -65.4 | 130 | 173.5 | -162.1 | -42.3 | 0 | 0 | 0 | 112.2 | L248 A249 N250 K251 H252 G273 N274 | L248-N271 HydrophobicContact CD1-CB 3.69Å; A249-N271 VanDerWaalsContact C-ND2 3.34Å; A249-N271 WeakPolarHBondContact CA-ND2 3.41Å; N250-N271 PolarHBondContact N-ND2 3.15Å; N250-N271 VanDerWaalsContact N-ND2 3.16Å; K251-N271 WeakPolarHBondContact O-CB 3.37Å; H252-N271 PolarHBondContact CE1-O 2.8Å; H252-N271 PolarHBondContact ND1-N 2.86Å; H252-N271 PolarHBondContact ND1-O 3.43Å; N271-G273 WeakPolarHBondContact OD1-CA 3.49Å; N271-G273 PolarHBondContact OD1-N 3.41Å; N271-N274 VanDerWaalsContact CG-O 3.32Å; N271-N274 PolarHBondContact ND2-O 3.04Å; N271-N274 PolarHBondContact OD1-N 2.91Å; N271-N274 PolarHBondContact OD1-O 2.77Å | ||
| 272 | T | 82.8 | Confident | 92.8 | Very high | 125 Ų | 125 | 70.2 Ų | 70.2 | 77% | 0.767 | 39% | 0.385 | S | S | * | . | trans | -105 | 9.7 | 178.1 | 54 | 0 | 0 | 0 | 0 | 114.6 | A270 | A270-T272 PolarHBondContact O-N 3.41Š| ||
| 273 | G | 78.1 | Confident | 92.9 | Very high | 62 Ų | 62 | 69.2 Ų | 69.2 | 64% | 0.639 | 38% | 0.382 | S | S | * | . | S | Bend | trans | 114.2 | -4.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | N271 | N271-G273 WeakPolarHBondContact OD1-CA 3.49Å; N271-G273 PolarHBondContact OD1-N 3.41Å |
| 274 | N | 85.1 | Confident | 92.9 | Very high | 112 Ų | 112 | 66.4 Ų | 66.4 | 60% | 0.599 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -107.7 | -176.1 | 177.1 | -74.8 | -16.1 | 0 | 0 | 0 | 111.3 | N271 | N271-N274 VanDerWaalsContact CG-O 3.32Å; N271-N274 PolarHBondContact ND2-O 3.04Å; N271-N274 PolarHBondContact OD1-N 2.91Å; N271-N274 PolarHBondContact OD1-O 2.77Å |
| 275 | H | 89.7 | Confident | 93 | Very high | 92 Ų | 92 | 64.1 Ų | 64.1 | 43% | 0.426 | 38% | 0.378 | S | S | . | . | trans | -93.8 | 123.5 | 170 | -61.9 | -86.9 | 0 | 0 | 0 | 109.4 | L248 A249 F305 W310 | L248-H275 WeakPolarHBondContact O-CA 3.35Å; A249-H275 VanDerWaalsContact CB-ND1 3.34Å; A249-H275 WeakPolarHBondContact CB-ND1 3.49Å; H275-F305 AromaticContact CE1-CE1 3.95Å; H275-W310 HydrophobicContact CB-CH2 4.13Å; H275-W310 AromaticContact CD2-CH2 3.48Å; H275-W310 VanDerWaalsContact CD2-CH2 3.48Å; H275-W310 WeakPolarHBondContact CD2-CH2 3.35Å; H275-W310 AromaticContact CE1-CH2 3.63Å; H275-W310 AromaticContact CE1-CZ2 3.76Å; H275-W310 AromaticContact CG-CH2 3.51Å; H275-W310 AromaticContact ND1-CH2 3.61Å; H275-W310 AromaticContact NE2-CH2 3.55Å; H275-W310 AromaticContact NE2-CZ2 3.75Å | ||
| 276 | D | 92.8 | Very high | 93 | Very high | 50 Ų | 50 | 62.9 Ų | 62.9 | 27% | 0.267 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 164.6 | 177.8 | -63.4 | -43.1 | 0 | 0 | 0 | 110 | T247 L248 | T247-D276 WeakPolarHBondContact CA-O 3.16Å; L248-D276 HydrophobicContact CD1-CB 4.08Å; L248-D276 HydrophobicContact CD2-CB 3.96Å; L248-D276 HydrophobicContact CG-CB 3.88Å; L248-D276 PolarHBondContact N-O 3.09Å; L248-D276 PolarHBondContact O-N 2.94Å; L248-D276 VanDerWaalsContact O-N 3.15Å |
| 277 | V | 93.8 | Very high | 93 | Very high | 92 Ų | 92 | 63.3 Ų | 63.3 | 56% | 0.558 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 120.6 | 176.6 | -179.8 | 0 | 0 | 0 | 0 | 109 | I246 | I246-V277 WeakPolarHBondContact O-CA 3.41Å |
| 278 | A | 94.8 | Very high | 93 | Very high | 4 Ų | 4 | 69.3 Ų | 69.3 | 3% | 0.033 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 124.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | I246 L248 L253 T267 D269 | I246-A278 PolarHBondContact N-O 2.93Å; I246-A278 PolarHBondContact O-N 2.83Å; L248-A278 HydrophobicContact CD2-CB 3.74Å; L253-A278 HydrophobicContact CD2-CB 3.82Å; T267-A278 HydrophobicContact CG2-CB 4.2Å; D269-A278 HydrophobicContact CB-CB 3.9Å |
| 279 | S | 96.4 | Very high | 93 | Very high | 62 Ų | 62 | 65.5 Ų | 65.5 | 43% | 0.434 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 152.7 | 179.4 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | Y244 D245 | Y244-S279 WeakPolarHBondContact O-CA 3.35Å; Y244-S279 WeakPolarHBondContact O-CB 3.04Å; D245-S279 VanDerWaalsContact OD1-CB 3.23Å; D245-S279 WeakPolarHBondContact OD1-CB 3.35Å; D245-S279 PolarHBondContact OD1-OG 3.23Å |
| 280 | G | 96.4 | Very high | 93.1 | Very high | 12 Ų | 12 | 64.6 Ų | 64.6 | 12% | 0.124 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 143.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | T243 Y244 | T243-G280 CarbonylContact C-O 3.5Å; T243-G280 WeakPolarHBondContact CA-O 3.19Å; Y244-G280 VanDerWaalsContact CD1-O 3.28Å; Y244-G280 WeakPolarHBondContact CD1-O 3.29Å; Y244-G280 WeakPolarHBondContact CE1-O 2.99Å; Y244-G280 PolarHBondContact N-O 2.81Å; Y244-G280 PolarHBondContact O-N 2.91Å |
| 281 | S | 97.3 | Very high | 93.4 | Very high | 63 Ų | 63 | 64.5 Ų | 64.5 | 44% | 0.441 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 152.3 | 177.5 | 63.8 | 0 | 0 | 0 | 0 | 112.4 | Y241 F242 I265 | Y241-S281 WeakPolarHBondContact OH-CB 3.33Å; Y241-S281 PolarHBondContact OH-OG 2.95Å; F242-S281 CarbonylContact O-C 2.96Å; F242-S281 WeakPolarHBondContact O-CA 3.28Å; F242-S281 WeakPolarHBondContact O-CB 3.21Å; I265-S281 WeakPolarHBondContact CD1-O 3.27Å |
| 282 | T | 97.6 | Very high | 93.9 | Very high | 38 Ų | 38 | 63.8 Ų | 63.8 | 23% | 0.233 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 164.3 | 175.4 | -165.4 | 0 | 0 | 0 | 0 | 111.1 | F242 L257 I265 L284 | F242-T282 PolarHBondContact N-O 3.39Å; F242-T282 PolarHBondContact O-N 2.97Å; L257-T282 HydrophobicContact CD1-CG2 4.44Å; L257-T282 HydrophobicContact CD2-CG2 4.33Å; I265-T282 HydrophobicContact CD1-CG2 3.6Å; I265-T282 HydrophobicContact CG1-CG2 3.89Å; T282-L284 HydrophobicContact CG2-CD1 4.39Å; T282-L284 HydrophobicContact CG2-CD2 4.15Å; T282-L284 HydrophobicContact CG2-CG 3.97Å |
| 283 | I | 97.7 | Very high | 94.6 | Very high | 101 Ų | 101 | 58.8 Ų | 58.8 | 52% | 0.518 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 131 | 172.6 | -63.8 | 172.7 | 0 | 0 | 0 | 107.8 | I239 Y240 Y241 I320 | I239-I283 HydrophobicContact CG2-CG2 3.3Å; Y240-I283 CarbonylContact O-C 3.57Å; Y240-I283 VanDerWaalsContact O-CA 3.24Å; Y240-I283 WeakPolarHBondContact O-CA 3.15Å; Y241-I283 HydrophobicContact CD2-CG1 3.91Å; I283-I320 HydrophobicContact CD1-CD1 4.41Å; I283-I320 HydrophobicContact CG1-CD1 4.36Å |
| 284 | L | 97 | Very high | 95.6 | Very high | 15 Ų | 15 | 55.9 Ų | 55.9 | 8% | 0.079 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 134.7 | 177.2 | -61.5 | 177.7 | 0 | 0 | 0 | 110.4 | Y240 F242 L257 H259 R264 T282 L286 V292 | Y240-L284 PolarHBondContact N-O 3.15Å; Y240-L284 PolarHBondContact O-N 3.46Å; F242-L284 HydrophobicContact CD2-CB 4.47Å; F242-L284 HydrophobicContact CD2-CD1 4.03Å; F242-L284 HydrophobicContact CD2-CG 4.33Å; F242-L284 HydrophobicContact CE2-CB 4.31Å; F242-L284 HydrophobicContact CE2-CD1 4.11Å; L257-L284 HydrophobicContact CD2-CD1 3.81Å; H259-L284 HydrophobicContact CB-CD1 4.15Å; R264-L284 HydrophobicContact CB-CD2 4.19Å; R264-L284 HydrophobicContact CG-CD1 4.26Å; R264-L284 HydrophobicContact CG-CD2 3.87Å; T282-L284 HydrophobicContact CG2-CD1 4.39Å; T282-L284 HydrophobicContact CG2-CD2 4.15Å; T282-L284 HydrophobicContact CG2-CG 3.97Å; L284-L286 HydrophobicContact CB-CD2 3.9Å; L284-L286 HydrophobicContact CB-CG 4.29Å; L284-L286 HydrophobicContact CD1-CD2 4.4Å; L284-V292 HydrophobicContact CD1-CG1 4.46Å; L284-V292 HydrophobicContact CD1-CG2 4.28Å |
| 285 | A | 96.6 | Very high | 96.1 | Very high | 70 Ų | 70 | 51.7 Ų | 51.7 | 58% | 0.579 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 123.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | G238 I239 | G238-A285 WeakPolarHBondContact O-CA 3.37Å; I239-A285 HydrophobicContact CD1-CB 3.59Å |
| 286 | L | 96.8 | Very high | 96.4 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 137.7 | -178.5 | -59.1 | -174.8 | 0 | 0 | 0 | 110.3 | F232 C234 P237 G238 Y240 F242 L284 D290 V292 | F232-L286 HydrophobicContact CD1-CD1 4.31Å; F232-L286 HydrophobicContact CE1-CD1 3.79Å; C234-L286 HydrophobicContact CB-CB 4.06Å; C234-L286 HydrophobicContact CB-CD1 4.16Å; P237-L286 VanDerWaalsContact CA-O 3.32Å; P237-L286 WeakPolarHBondContact CA-O 3.39Å; G238-L286 PolarHBondContact N-O 2.87Å; G238-L286 PolarHBondContact O-N 3Å; Y240-L286 HydrophobicContact CD2-CB 3.91Å; Y240-L286 HydrophobicContact CD2-CD1 3.66Å; Y240-L286 HydrophobicContact CD2-CG 3.85Å; Y240-L286 HydrophobicContact CE2-CB 4.12Å; Y240-L286 HydrophobicContact CE2-CD1 4.14Å; Y240-L286 HydrophobicContact CE2-CG 4.46Å; Y240-L286 HydrophobicContact CG-CD1 3.86Å; Y240-L286 HydrophobicContact CG-CG 4.37Å; F242-L286 HydrophobicContact CE2-CD1 3.81Å; F242-L286 HydrophobicContact CZ-CD1 3.72Å; L284-L286 HydrophobicContact CB-CD2 3.9Å; L284-L286 HydrophobicContact CB-CG 4.29Å; L284-L286 HydrophobicContact CD1-CD2 4.4Å; L286-D290 HydrophobicContact CB-CB 4.34Å; L286-D290 HydrophobicContact CD2-CB 4.25Å; L286-V292 HydrophobicContact CD1-CG2 3.86Å; L286-V292 HydrophobicContact CD2-CG2 3.84Å |
| 287 | K | 95.9 | Very high | 96.4 | Very high | 156 Ų | 156 | 46.3 Ų | 46.3 | 68% | 0.678 | 27% | 0.267 | S | S | * | . | trans | -91 | 164.1 | 168 | -62.6 | -175.7 | 179.6 | -174.1 | 0 | 110 | C234 G289 D290 | C234-K287 VanDerWaalsContact CB-O 3.24Å; C234-K287 WeakPolarHBondContact CB-O 3.43Å; C234-K287 PolarHBondContact SG-O 2.86Å; K287-G289 PolarHBondContact O-N 3.33Å; K287-D290 PolarHBondContact N-OD2 2.94Å; K287-D290 WeakPolarHBondContact O-CB 3.28Å; K287-D290 PolarHBondContact O-N 2.99Å; K287-D290 VanDerWaalsContact O-N 3.14Å | ||
| 288 | Q | 94.1 | Very high | 96.2 | Very high | 149 Ų | 149 | 48.1 Ų | 48.1 | 70% | 0.696 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 130.3 | 174.9 | -170.3 | 174.3 | 44.9 | 0 | 0 | 110.6 | G235 | G235-Q288 PolarHBondContact O-NE2 2.68Š|
| 289 | G | 95.1 | Very high | 95.8 | Very high | 45 Ų | 45 | 50.1 Ų | 50.1 | 46% | 0.464 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | -7.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | C234 K287 | C234-G289 PolarHBondContact O-N 2.81Å; K287-G289 PolarHBondContact O-N 3.33Å |
| 290 | D | 97.8 | Very high | 95.3 | Very high | 26 Ų | 26 | 54.9 Ų | 54.9 | 14% | 0.139 | 29% | 0.294 | C | S | . | . | trans | -63.5 | 139.5 | 175.8 | -76.2 | -15.9 | 0 | 0 | 0 | 111.3 | C234 H259 N260 L286 K287 | C234-D290 HydrophobicContact CB-CB 4.23Å; C234-D290 WeakPolarHBondContact CB-O 3.32Å; C234-D290 PolarHBondContact N-O 2.83Å; H259-D290 IonicContact CE1-OD2 3.38Å; H259-D290 IonicContact NE2-OD2 3.41Å; H259-D290 PolarHBondContact NE2-OD2 3.27Å; N260-D290 PolarHBondContact ND2-OD1 3.03Å; L286-D290 HydrophobicContact CB-CB 4.34Å; L286-D290 HydrophobicContact CD2-CB 4.25Å; K287-D290 PolarHBondContact N-OD2 2.94Å; K287-D290 WeakPolarHBondContact O-CB 3.28Å; K287-D290 PolarHBondContact O-N 2.99Å; K287-D290 VanDerWaalsContact O-N 3.14Å | ||
| 291 | E | 98 | Very high | 95 | Very high | 63 Ų | 63 | 56.6 Ų | 56.6 | 29% | 0.294 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 133.5 | -178.6 | -61.4 | -170.9 | 143.3 | 0 | 0 | 111.4 | K231 F232 V233 H259 N260 W293 | K231-E291 IonicContact NZ-OE1 3.96Å; K231-E291 IonicContact NZ-OE2 3.96Å; K231-E291 PolarHBondContact NZ-OE2 3.27Å; F232-E291 CarbonylContact O-C 3.59Å; F232-E291 WeakPolarHBondContact O-CA 3.13Å; V233-E291 HydrophobicContact CG2-CG 4.39Å; H259-E291 WeakPolarHBondContact CA-O 3.33Å; N260-E291 PolarHBondContact N-O 3.14Å; N260-E291 PolarHBondContact OD1-N 2.89Å; E291-W293 HydrophobicContact CB-CE3 4.1Å; E291-W293 HydrophobicContact CB-CZ3 3.87Å |
| 292 | V | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 133.1 | 174.9 | -175.5 | 0 | 0 | 0 | 0 | 110.6 | F232 F242 L257 V258 H259 L284 L286 F315 | F232-V292 HydrophobicContact CB-CB 4.48Å; F232-V292 WeakPolarHBondContact CB-O 3.44Å; F232-V292 HydrophobicContact CD1-CB 4.31Å; F232-V292 PolarHBondContact N-O 3.42Å; F232-V292 PolarHBondContact O-N 3.37Å; F242-V292 HydrophobicContact CD1-CG1 4.13Å; F242-V292 HydrophobicContact CD2-CG1 4.44Å; F242-V292 HydrophobicContact CE1-CB 4.1Å; F242-V292 HydrophobicContact CE1-CG1 3.9Å; F242-V292 HydrophobicContact CE2-CG1 4.25Å; F242-V292 HydrophobicContact CE2-CG2 4.14Å; F242-V292 HydrophobicContact CG-CG1 4.38Å; F242-V292 HydrophobicContact CZ-CB 3.97Å; F242-V292 HydrophobicContact CZ-CG1 3.99Å; F242-V292 HydrophobicContact CZ-CG2 3.89Å; L257-V292 HydrophobicContact CD1-CG1 4.43Å; L257-V292 HydrophobicContact CD2-CG1 3.84Å; L257-V292 HydrophobicContact CG-CG1 4.11Å; V258-V292 VanDerWaalsContact O-CA 3.28Å; V258-V292 WeakPolarHBondContact O-CA 3.38Å; H259-V292 HydrophobicContact CB-CG2 4.4Å; L284-V292 HydrophobicContact CD1-CG1 4.46Å; L284-V292 HydrophobicContact CD1-CG2 4.28Å; L286-V292 HydrophobicContact CD1-CG2 3.86Å; L286-V292 HydrophobicContact CD2-CG2 3.84Å; V292-F315 HydrophobicContact CG1-CZ 4.39Å |
| 293 | W | 98.3 | Very high | 94.6 | Very high | 20 Ų | 20 | 52.1 Ų | 52.1 | 8% | 0.076 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 171 | 177.8 | 69.6 | 95.5 | 0 | 0 | 0 | 112.6 | P211 K231 V258 G261 E291 | P211-W293 HydrophobicContact CB-CB 4.47Å; P211-W293 HydrophobicContact CB-CG 4.12Å; P211-W293 HydrophobicContact CG-CG 4.32Å; K231-W293 HydrophobicContact CB-CB 4.34Å; K231-W293 HydrophobicContact CD-CD2 4.46Å; K231-W293 HydrophobicContact CD-CE3 4.16Å; K231-W293 HydrophobicContact CG-CB 3.95Å; K231-W293 HydrophobicContact CG-CD2 4.38Å; K231-W293 HydrophobicContact CG-CE3 4.38Å; K231-W293 HydrophobicContact CG-CG 4.24Å; V258-W293 HydrophobicContact CB-CD2 3.97Å; V258-W293 HydrophobicContact CB-CE3 4.42Å; V258-W293 HydrophobicContact CB-CG 4.45Å; V258-W293 HydrophobicContact CB-CH2 4.36Å; V258-W293 HydrophobicContact CB-CZ2 3.88Å; V258-W293 HydrophobicContact CG1-CD2 4.25Å; V258-W293 HydrophobicContact CG1-CE3 4.42Å; V258-W293 HydrophobicContact CG1-CH2 3.57Å; V258-W293 HydrophobicContact CG1-CZ2 3.32Å; V258-W293 HydrophobicContact CG1-CZ3 4.11Å; V258-W293 PolarHBondContact N-O 2.85Å; V258-W293 PolarHBondContact O-N 3.42Å; G261-W293 VanDerWaalsContact N-CH2 3.32Å; E291-W293 HydrophobicContact CB-CE3 4.1Å; E291-W293 HydrophobicContact CB-CZ3 3.87Å |
| 294 | L | 98 | Very high | 94.5 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 140.6 | 170.7 | -69 | 168.1 | 0 | 0 | 0 | 110.8 | I212 F214 Y244 I255 G256 L257 F315 | I212-L294 HydrophobicContact CD1-CB 4.14Å; I212-L294 PolarHBondContact N-O 3.11Å; F214-L294 HydrophobicContact CE2-CB 4.24Å; F214-L294 HydrophobicContact CE2-CD1 3.96Å; F214-L294 HydrophobicContact CZ-CD1 3.63Å; Y244-L294 HydrophobicContact CD1-CD1 4.1Å; Y244-L294 HydrophobicContact CD1-CD2 3.58Å; Y244-L294 HydrophobicContact CD1-CG 4.41Å; Y244-L294 HydrophobicContact CE1-CD2 3.71Å; Y244-L294 HydrophobicContact CG-CD1 3.92Å; Y244-L294 HydrophobicContact CG-CD2 4.04Å; I255-L294 HydrophobicContact CD1-CB 4.1Å; I255-L294 HydrophobicContact CD1-CD1 4.16Å; I255-L294 HydrophobicContact CD1-CD2 4.2Å; I255-L294 HydrophobicContact CD1-CG 4.4Å; I255-L294 HydrophobicContact CG1-CB 4.36Å; I255-L294 HydrophobicContact CG1-CD2 4.26Å; G256-L294 WeakPolarHBondContact O-CA 3.36Å; L257-L294 HydrophobicContact CB-CD2 3.89Å; L257-L294 HydrophobicContact CG-CD2 4.41Å; L294-F315 HydrophobicContact CD1-CB 3.81Å; L294-F315 HydrophobicContact CD1-CD1 4.18Å; L294-F315 HydrophobicContact CD1-CD2 3.63Å; L294-F315 HydrophobicContact CD1-CE2 4.22Å; L294-F315 HydrophobicContact CD1-CG 3.61Å; L294-F315 HydrophobicContact CG-CD1 4.48Å; L294-F315 HydrophobicContact CG-CD2 4.15Å; L294-F315 HydrophobicContact CG-CE2 4.25Å; L294-F315 HydrophobicContact CG-CG 4.28Å; L294-F315 HydrophobicContact CG-CZ 4.46Å |
| 295 | Q | 96 | Very high | 94.4 | Very high | 25 Ų | 25 | 48.1 Ų | 48.1 | 12% | 0.117 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 151.7 | 172.3 | 70.6 | -176.8 | 35.2 | 0 | 0 | 111.9 | L210 G256 V258 Y263 | L210-Q295 VanDerWaalsContact O-CB 3.31Å; L210-Q295 WeakPolarHBondContact O-CB 3.24Å; G256-Q295 PolarHBondContact N-O 3.15Å; G256-Q295 PolarHBondContact O-N 3Å; V258-Q295 HydrophobicContact CG2-CG 3.69Å; Y263-Q295 HydrophobicContact CE1-CG 4.02Å; Y263-Q295 PolarHBondContact OH-NE2 2.84Å |
| 296 | I | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 120.6 | 169.4 | -64.3 | 155.5 | 0 | 0 | 0 | 107.7 | P206 E208 R209 I212 A254 Y298 N302 | P206-I296 HydrophobicContact CG-CD1 3.91Å; E208-I296 HydrophobicContact CB-CG2 4.46Å; E208-I296 HydrophobicContact CG-CG2 4.08Å; R209-I296 WeakPolarHBondContact CA-O 3.22Å; R209-I296 PolarHBondContact N-O 2.82Å; I212-I296 HydrophobicContact CD1-CD1 4.48Å; I212-I296 HydrophobicContact CD1-CG1 4.16Å; A254-I296 WeakPolarHBondContact O-CA 3.46Å; I296-Y298 WeakPolarHBondContact CG2-O 3.47Å; I296-N302 HydrophobicContact CD1-CB 3.84Å; I296-N302 WeakPolarHBondContact CD1-OD1 3Å; I296-N302 HydrophobicContact CG2-CB 4.46Å |
| 297 | F | 92.3 | Very high | 94.1 | Very high | 29 Ų | 29 | 48.1 Ų | 48.1 | 13% | 0.127 | 23% | 0.234 | C | C | . | . | trans | -101.3 | -18.3 | -172.4 | 62.8 | -95 | 0 | 0 | 0 | 114.1 | A254 Y263 R266 F268 | A254-F297 HydrophobicContact CB-CE1 4.01Å; A254-F297 HydrophobicContact CB-CE2 4.1Å; A254-F297 HydrophobicContact CB-CZ 3.75Å; A254-F297 WeakPolarHBondContact O-CD1 3.21Å; A254-F297 PolarHBondContact O-N 3.04Å; Y263-F297 HydrophobicContact CE1-CB 3.61Å; Y263-F297 HydrophobicContact CE1-CD1 4.11Å; Y263-F297 HydrophobicContact CE1-CG 4.11Å; Y263-F297 WeakPolarHBondContact OH-CB 3.41Å; R266-F297 HydrophobicContact CB-CE1 4.01Å; R266-F297 HydrophobicContact CB-CZ 4.02Å; R266-F297 HydrophobicContact CG-CE1 4.07Å; R266-F297 HydrophobicContact CG-CZ 4.2Å; F268-F297 HydrophobicContact CD1-CZ 4.08Å; F268-F297 AromaticContact CE1-CE2 3.55Å; F268-F297 HydrophobicContact CE1-CE2 3.55Å; F268-F297 AromaticContact CE1-CZ 3.35Å; F268-F297 HydrophobicContact CE1-CZ 3.35Å; F268-F297 AromaticContact CE2-CZ 3.88Å; F268-F297 HydrophobicContact CE2-CZ 3.88Å; F268-F297 AromaticContact CZ-CE2 3.52Å; F268-F297 HydrophobicContact CZ-CE2 3.52Å; F268-F297 AromaticContact CZ-CZ 3.25Å; F268-F297 HydrophobicContact CZ-CZ 3.25Å | ||
| 298 | Y | 89.8 | Confident | 93.9 | Very high | 130 Ų | 130 | 45 Ų | 45 | 51% | 0.51 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -108.4 | 132.7 | 179.8 | -152.6 | -86.1 | 0 | 0 | 0 | 109.7 | I296 Q301 | I296-Y298 WeakPolarHBondContact CG2-O 3.47Å; Y298-Q301 HydrophobicContact CD1-CB 4.4Å; Y298-Q301 HydrophobicContact CD1-CG 3.77Å; Y298-Q301 HydrophobicContact CG-CG 4.46Å |
| 299 | S | 87.1 | Confident | 93.8 | Very high | 46 Ų | 46 | 48 Ų | 48 | 32% | 0.322 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | 146.7 | -179.3 | -44.4 | 0 | 0 | 0 | 0 | 110.4 | E208 R209 Q301 | E208-S299 WeakPolarHBondContact OE2-CA 3.32Å; R209-S299 PolarHBondContact NH2-OG 2.9Å; R209-S299 VanDerWaalsContact NH2-OG 3.14Å; S299-Q301 PolarHBondContact O-N 2.92Å |
| 300 | E | 85.9 | Confident | 93.5 | Very high | 162 Ų | 162 | 52.8 Ų | 52.8 | 76% | 0.757 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | -6 | 179.7 | -50.6 | -172.8 | 166.9 | 0 | 0 | 116 | E208 N302 | E208-E300 PolarHBondContact OE1-N 2.84Å; E208-E300 PolarHBondContact OE2-N 3.1Å; E300-N302 VanDerWaalsContact C-N 3.32Å; E300-N302 PolarHBondContact O-N 3.09Å |
| 301 | Q | 89.6 | Confident | 93.1 | Very high | 47 Ų | 47 | 52.1 Ų | 52.1 | 22% | 0.22 | 24% | 0.238 | C | C | . | . | trans | -99 | 52 | 174.2 | -62.8 | -172.1 | 16.3 | 0 | 0 | 111.7 | H252 A254 Y298 S299 | H252-Q301 HydrophobicContact CB-CG 4.27Å; H252-Q301 CarbonylContact O-C 3.55Å; H252-Q301 WeakPolarHBondContact O-CA 3.47Å; A254-Q301 HydrophobicContact CB-CB 3.8Å; A254-Q301 VanDerWaalsContact CB-OE1 3.29Å; A254-Q301 PolarHBondContact N-O 3.23Å; Y298-Q301 HydrophobicContact CD1-CB 4.4Å; Y298-Q301 HydrophobicContact CD1-CG 3.77Å; Y298-Q301 HydrophobicContact CG-CG 4.46Å; S299-Q301 PolarHBondContact O-N 2.92Å | ||
| 302 | N | 92.3 | Very high | 92.7 | Very high | 7 Ų | 7 | 52.5 Ų | 52.5 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | trans | -105.3 | 74.8 | 175.8 | -179 | 8.9 | 0 | 0 | 0 | 109.4 | Y205 P206 E208 H252 I296 E300 L304 | Y205-N302 VanDerWaalsContact C-ND2 3.25Å; Y205-N302 WeakPolarHBondContact CA-ND2 3.14Å; Y205-N302 WeakPolarHBondContact CA-OD1 3.31Å; Y205-N302 WeakPolarHBondContact CD1-O 3.36Å; Y205-N302 WeakPolarHBondContact CE1-O 3.49Å; P206-N302 WeakPolarHBondContact CD-OD1 3.43Å; P206-N302 PolarHBondContact O-ND2 2.56Å; E208-N302 HydrophobicContact CG-CB 3.99Å; E208-N302 WeakPolarHBondContact OE1-CB 3.4Å; H252-N302 PolarHBondContact O-N 2.91Å; I296-N302 HydrophobicContact CD1-CB 3.84Å; I296-N302 WeakPolarHBondContact CD1-OD1 3Å; I296-N302 HydrophobicContact CG2-CB 4.46Å; E300-N302 VanDerWaalsContact C-N 3.32Å; E300-N302 PolarHBondContact O-N 3.09Å; N302-L304 VanDerWaalsContact C-N 3.3Å | ||
| 303 | G | 94 | Very high | 92.6 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -80.6 | -7.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L248 A249 K251 H252 F305 | L248-G303 CarbonylContact C-O 3.58Å; L248-G303 WeakPolarHBondContact CA-O 3.38Å; A249-G303 PolarHBondContact N-O 2.88Å; K251-G303 VanDerWaalsContact O-CA 3.29Å; K251-G303 WeakPolarHBondContact O-CA 3.04Å; H252-G303 WeakPolarHBondContact O-CA 3.34Å; H252-G303 PolarHBondContact O-N 3.21Å; G303-F305 PolarHBondContact O-N 2.86Å | ||
| 304 | L | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -59.9 | 122.7 | -170.3 | -176.8 | 158.6 | 0 | 0 | 0 | 111 | V201 Y205 P206 I212 I246 L253 N302 | V201-L304 HydrophobicContact CG1-CD2 4.4Å; V201-L304 HydrophobicContact CG2-CD2 3.97Å; Y205-L304 PolarHBondContact N-O 3.23Å; P206-L304 HydrophobicContact CG-CD1 4.26Å; P206-L304 HydrophobicContact CG-CD2 4.32Å; I212-L304 HydrophobicContact CD1-CD1 4.1Å; I212-L304 HydrophobicContact CG2-CD1 4.36Å; I246-L304 HydrophobicContact CD1-CD1 4.28Å; I246-L304 HydrophobicContact CG2-CB 4.12Å; I246-L304 HydrophobicContact CG2-CD1 3.88Å; I246-L304 HydrophobicContact CG2-CG 3.75Å; L253-L304 HydrophobicContact CD1-CB 4.12Å; N302-L304 VanDerWaalsContact C-N 3.3Å |
| 305 | F | 94.6 | Very high | 92.6 | Very high | 32 Ų | 32 | 53.6 Ų | 53.6 | 14% | 0.14 | 25% | 0.249 | C | C | . | . | trans | -123.7 | 148 | -172.5 | -174.4 | -103.1 | 0 | 0 | 0 | 111.5 | S204 T247 A249 H275 G303 D307 W310 S313 | S204-F305 WeakPolarHBondContact OG-CD2 3.41Å; T247-F305 HydrophobicContact CG2-CD1 4.47Å; T247-F305 PolarHBondContact O-N 2.89Å; A249-F305 HydrophobicContact CB-CB 3.59Å; A249-F305 HydrophobicContact CB-CD1 3.99Å; A249-F305 HydrophobicContact CB-CD2 3.74Å; A249-F305 HydrophobicContact CB-CE2 4.43Å; A249-F305 HydrophobicContact CB-CG 3.48Å; A249-F305 VanDerWaalsContact CB-CG 3.48Å; H275-F305 AromaticContact CE1-CE1 3.95Å; G303-F305 PolarHBondContact O-N 2.86Å; F305-D307 HydrophobicContact CE1-CB 3.82Å; F305-D307 HydrophobicContact CZ-CB 4.18Å; F305-W310 HydrophobicContact CE1-CZ2 4.13Å; F305-S313 PolarHBondContact O-OG 3.16Å; F305-S313 VanDerWaalsContact O-OG 3.09Å | ||
| 306 | Y | 94.6 | Very high | 92.7 | Very high | 36 Ų | 36 | 53.9 Ų | 53.9 | 14% | 0.141 | 25% | 0.252 | C | S | . | . | trans | -143.4 | 137.1 | 176.8 | 168.5 | -102.5 | 0 | 0 | 0 | 110 | V201 T202 S204 P308 T311 | V201-Y306 HydrophobicContact CG2-CD2 4.44Å; V201-Y306 HydrophobicContact CG2-CG 4.46Å; V201-Y306 WeakPolarHBondContact O-CD2 3.48Å; V201-Y306 WeakPolarHBondContact O-CE2 3.49Å; T202-Y306 VanDerWaalsContact CA-CE1 3.45Å; T202-Y306 WeakPolarHBondContact O-CD1 3.46Å; T202-Y306 WeakPolarHBondContact O-CE1 3.23Å; S204-Y306 PolarHBondContact OG-N 2.83Å; S204-Y306 PolarHBondContact OG-O 3.07Å; S204-Y306 VanDerWaalsContact OG-O 3.04Å; Y306-P308 HydrophobicContact CE1-CG 3.74Å; Y306-P308 WeakPolarHBondContact OH-CA 3.43Å; Y306-T311 WeakPolarHBondContact CD2-O 3.04Å | ||
| 307 | D | 92.9 | Very high | 92.9 | Very high | 38 Ų | 38 | 53.9 Ų | 53.9 | 20% | 0.203 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -139.9 | 122.5 | 173.3 | -174.2 | -67.9 | 0 | 0 | 0 | 108.9 | F305 Y309 W310 T311 | F305-D307 HydrophobicContact CE1-CB 3.82Å; F305-D307 HydrophobicContact CZ-CB 4.18Å; D307-Y309 PolarHBondContact O-N 3.19Å; D307-Y309 WeakPolarHBondContact OD1-CB 3.42Å; D307-Y309 WeakPolarHBondContact OD1-CD2 3.18Å; D307-Y309 PolarHBondContact OD1-N 3.01Å; D307-W310 PolarHBondContact O-N 2.98Å; D307-W310 PolarHBondContact OD2-NE1 3.38Å; D307-T311 WeakPolarHBondContact CB-OG1 3.15Å; D307-T311 PolarHBondContact N-OG1 2.94Å; D307-T311 PolarHBondContact O-N 2.72Å; D307-T311 VanDerWaalsContact O-N 3.15Å |
| 308 | P | 92.6 | Very high | 93.1 | Very high | 91 Ų | 91 | 56.6 Ų | 56.6 | 59% | 0.591 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -20.3 | -176.6 | -24.4 | 31.8 | 0 | 0 | 0 | 116.1 | Y306 | Y306-P308 HydrophobicContact CE1-CG 3.74Å; Y306-P308 WeakPolarHBondContact OH-CA 3.43Å |
| 309 | Y | 91.9 | Very high | 93.4 | Very high | 211 Ų | 211 | 51.8 Ų | 51.8 | 83% | 0.827 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -30.5 | -172.1 | -58.6 | -76.9 | 0 | 0 | 0 | 113.5 | D307 | D307-Y309 PolarHBondContact O-N 3.19Å; D307-Y309 WeakPolarHBondContact OD1-CB 3.42Å; D307-Y309 WeakPolarHBondContact OD1-CD2 3.18Å; D307-Y309 PolarHBondContact OD1-N 3.01Å |
| 310 | W | 88.3 | Confident | 93.7 | Very high | 146 Ų | 146 | 52.7 Ų | 52.7 | 55% | 0.553 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -148.2 | -2.6 | -168.3 | 69 | -78.7 | 0 | 0 | 0 | 116.1 | H275 F305 D307 | H275-W310 HydrophobicContact CB-CH2 4.13Å; H275-W310 AromaticContact CD2-CH2 3.48Å; H275-W310 VanDerWaalsContact CD2-CH2 3.48Å; H275-W310 WeakPolarHBondContact CD2-CH2 3.35Å; H275-W310 AromaticContact CE1-CH2 3.63Å; H275-W310 AromaticContact CE1-CZ2 3.76Å; H275-W310 AromaticContact CG-CH2 3.51Å; H275-W310 AromaticContact ND1-CH2 3.61Å; H275-W310 AromaticContact NE2-CH2 3.55Å; H275-W310 AromaticContact NE2-CZ2 3.75Å; F305-W310 HydrophobicContact CE1-CZ2 4.13Å; D307-W310 PolarHBondContact O-N 2.98Å; D307-W310 PolarHBondContact OD2-NE1 3.38Å |
| 311 | T | 89.3 | Confident | 94 | Very high | 12 Ų | 12 | 52.8 Ų | 52.8 | 7% | 0.074 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -135.8 | 135.4 | 176 | 67.3 | 0 | 0 | 0 | 0 | 112.8 | T247 Y306 D307 | T247-T311 HydrophobicContact CG2-CG2 3.94Å; Y306-T311 WeakPolarHBondContact CD2-O 3.04Å; D307-T311 WeakPolarHBondContact CB-OG1 3.15Å; D307-T311 PolarHBondContact N-OG1 2.94Å; D307-T311 PolarHBondContact O-N 2.72Å; D307-T311 VanDerWaalsContact O-N 3.15Å |
| 312 | D | 90.9 | Very high | 94 | Very high | 70 Ų | 70 | 52.6 Ų | 52.6 | 37% | 0.374 | 25% | 0.248 | S | C | . | . | trans | -121.9 | 146.1 | 167 | -82.6 | -52.2 | 0 | 0 | 0 | 108.2 | K216 T247 L314 | K216-D312 IonicContact NZ-OD1 3.87Å; K216-D312 PolarHBondContact NZ-OD1 3Å; K216-D312 IonicContact NZ-OD2 2.91Å; K216-D312 PolarHBondContact NZ-OD2 2.83Å; T247-D312 PolarHBondContact OG1-O 2.54Å; D312-L314 HydrophobicContact CB-CD2 4.11Å; D312-L314 HydrophobicContact CB-CG 4.42Å | ||
| 313 | S | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -116.8 | 121.8 | 165.8 | -64.5 | 0 | 0 | 0 | 0 | 108.5 | A200 V201 D245 T247 F305 | A200-S313 WeakPolarHBondContact CA-O 3.19Å; V201-S313 PolarHBondContact N-O 3.44Å; V201-S313 VanDerWaalsContact N-O 3.15Å; D245-S313 CarbonylContact O-C 3.53Å; D245-S313 VanDerWaalsContact O-CA 3.27Å; D245-S313 WeakPolarHBondContact O-CA 3.49Å; T247-S313 PolarHBondContact N-OG 2.92Å; F305-S313 PolarHBondContact O-OG 3.16Å; F305-S313 VanDerWaalsContact O-OG 3.09Å | ||
| 314 | L | 97.4 | Very high | 92.7 | Very high | 44 Ų | 44 | 65 Ų | 65 | 23% | 0.23 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 148.5 | -164.9 | -58.8 | 179.3 | 0 | 0 | 0 | 112 | V199 A200 L218 Y244 D245 D312 | V199-L314 CarbonylContact O-C 3.58Å; V199-L314 WeakPolarHBondContact O-CA 3.39Å; A200-L314 HydrophobicContact CB-CD2 3.57Å; L218-L314 HydrophobicContact CD1-CD2 3.81Å; Y244-L314 WeakPolarHBondContact CA-O 3.49Å; Y244-L314 VanDerWaalsContact CB-O 3.28Å; Y244-L314 WeakPolarHBondContact CB-O 3.29Å; D245-L314 PolarHBondContact N-O 2.84Å; D245-L314 PolarHBondContact O-N 2.93Å; D312-L314 HydrophobicContact CB-CD2 4.11Å; D312-L314 HydrophobicContact CB-CG 4.42Å |
| 315 | F | 98.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 125.6 | 166.8 | 177.3 | -139.6 | 0 | 0 | 0 | 109.1 | F197 V199 F214 Y225 F242 T243 L257 V292 L294 | F197-F315 AromaticContact CE2-CD1 3.58Å; F197-F315 HydrophobicContact CE2-CD1 3.58Å; F197-F315 AromaticContact CE2-CE1 3.61Å; F197-F315 HydrophobicContact CE2-CE1 3.61Å; F197-F315 HydrophobicContact CE2-CG 4.05Å; F197-F315 HydrophobicContact CE2-CZ 4.12Å; F197-F315 HydrophobicContact CZ-CD1 4.03Å; F197-F315 AromaticContact CZ-CE1 3.58Å; F197-F315 HydrophobicContact CZ-CE1 3.58Å; F197-F315 HydrophobicContact CZ-CE2 4.22Å; F197-F315 AromaticContact CZ-CZ 3.69Å; F197-F315 HydrophobicContact CZ-CZ 3.69Å; V199-F315 HydrophobicContact CG2-CB 4.08Å; V199-F315 HydrophobicContact CG2-CD1 4.35Å; V199-F315 VanDerWaalsContact CG2-O 3.29Å; V199-F315 WeakPolarHBondContact CG2-O 3.41Å; V199-F315 PolarHBondContact N-O 2.9Å; V199-F315 PolarHBondContact O-N 3.27Å; F214-F315 HydrophobicContact CD1-CB 3.95Å; F214-F315 HydrophobicContact CD2-CB 4.24Å; F214-F315 HydrophobicContact CD2-CD1 4.34Å; F214-F315 HydrophobicContact CE1-CB 3.62Å; F214-F315 HydrophobicContact CE2-CB 3.93Å; F214-F315 HydrophobicContact CE2-CD1 4.21Å; F214-F315 HydrophobicContact CE2-CG 4.4Å; F214-F315 HydrophobicContact CG-CB 4.28Å; F214-F315 HydrophobicContact CZ-CB 3.63Å; F214-F315 HydrophobicContact CZ-CG 4.45Å; Y225-F315 HydrophobicContact CE2-CD1 4.21Å; Y225-F315 HydrophobicContact CE2-CE1 4.29Å; F242-F315 HydrophobicContact CB-CE2 4.38Å; F242-F315 AromaticContact CD1-CE2 3.93Å; F242-F315 HydrophobicContact CD1-CE2 3.93Å; F242-F315 AromaticContact CD1-CZ 3.9Å; F242-F315 HydrophobicContact CD1-CZ 3.9Å; F242-F315 HydrophobicContact CE1-CZ 4.41Å; T243-F315 WeakPolarHBondContact O-CD2 3.36Å; L257-F315 HydrophobicContact CD1-CE2 4.22Å; V292-F315 HydrophobicContact CG1-CZ 4.39Å; L294-F315 HydrophobicContact CD1-CB 3.81Å; L294-F315 HydrophobicContact CD1-CD1 4.18Å; L294-F315 HydrophobicContact CD1-CD2 3.63Å; L294-F315 HydrophobicContact CD1-CE2 4.22Å; L294-F315 HydrophobicContact CD1-CG 3.61Å; L294-F315 HydrophobicContact CG-CD1 4.48Å; L294-F315 HydrophobicContact CG-CD2 4.15Å; L294-F315 HydrophobicContact CG-CE2 4.25Å; L294-F315 HydrophobicContact CG-CG 4.28Å; L294-F315 HydrophobicContact CG-CZ 4.46Å |
| 316 | T | 98.6 | Very high | 88.9 | Confident | 30 Ų | 30 | 76.3 Ų | 76.3 | 18% | 0.184 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 141.3 | -173.5 | -60.4 | 0 | 0 | 0 | 0 | 109.6 | F197 S198 F242 T243 | F197-T316 WeakPolarHBondContact O-CA 3.48Å; F197-T316 WeakPolarHBondContact O-CG2 3.34Å; S198-T316 PolarHBondContact OG-OG1 2.82Å; F242-T316 WeakPolarHBondContact CA-O 3.48Å; T243-T316 HydrophobicContact CG2-CG2 4.47Å; T243-T316 PolarHBondContact N-O 2.85Å; T243-T316 PolarHBondContact O-N 3.15Å |
| 317 | G | 98.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 144.8 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | A196 F197 Y241 | A196-G317 CarbonylContact C-O 3.54Å; A196-G317 VanDerWaalsContact CA-O 3.31Å; A196-G317 WeakPolarHBondContact CA-O 3.21Å; F197-G317 WeakPolarHBondContact CD1-O 3.29Å; F197-G317 PolarHBondContact N-O 3.44Å; F197-G317 PolarHBondContact O-N 3.28Å; Y241-G317 CarbonylContact O-C 3.59Å; Y241-G317 WeakPolarHBondContact O-CA 3.34Å |
| 318 | F | 97.6 | Very high | 84.5 | Confident | 86 Ų | 86 | 84.9 Ų | 84.9 | 38% | 0.377 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 151.6 | 178.6 | 61 | -92.4 | 0 | 0 | 0 | 112.5 | S195 A196 Y240 Y241 I320 | S195-F318 WeakPolarHBondContact O-CA 3.2Å; A196-F318 HydrophobicContact CB-CB 3.67Å; Y240-F318 WeakPolarHBondContact CA-O 3.47Å; Y241-F318 HydrophobicContact CD1-CD1 4.36Å; Y241-F318 AromaticContact CD1-CE1 3.5Å; Y241-F318 HydrophobicContact CD1-CE1 3.5Å; Y241-F318 AromaticContact CD1-CZ 3.69Å; Y241-F318 HydrophobicContact CD1-CZ 3.69Å; Y241-F318 HydrophobicContact CE1-CE1 4.32Å; Y241-F318 HydrophobicContact CG-CE1 4.29Å; Y241-F318 HydrophobicContact CG-CZ 4.12Å; Y241-F318 PolarHBondContact N-O 3.36Å; Y241-F318 PolarHBondContact O-N 2.88Å; F318-I320 HydrophobicContact CD2-CG1 4.4Å; F318-I320 HydrophobicContact CE2-CG1 4.08Å |
| 319 | L | 96 | Very high | 82.1 | Confident | 29 Ų | 29 | 89.4 Ų | 89.4 | 15% | 0.152 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 126.4 | 174.1 | -179.2 | 68.4 | 0 | 0 | 0 | 110.1 | S195 V236 Y240 Y321 A322 | S195-L319 PolarHBondContact O-N 2.79Å; V236-L319 HydrophobicContact CB-CD2 4.32Å; V236-L319 HydrophobicContact CG1-CD2 3.72Å; Y240-L319 HydrophobicContact CD1-CB 4.19Å; Y240-L319 HydrophobicContact CD2-CD1 4Å; Y240-L319 HydrophobicContact CE1-CB 3.71Å; Y240-L319 HydrophobicContact CE1-CD1 4.18Å; Y240-L319 HydrophobicContact CE2-CD1 3.53Å; L319-Y321 VanDerWaalsContact CD1-O 3.31Å; L319-Y321 WeakPolarHBondContact CD1-O 3.36Å; L319-A322 HydrophobicContact CD2-CB 4.04Å |
| 320 | I | 94 | Very high | 79.6 | Confident | 65 Ų | 65 | 89.4 Ų | 89.4 | 33% | 0.333 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -53 | 173.7 | -52.3 | 171.7 | 0 | 0 | 0 | 109.5 | I239 I283 F318 | I239-I320 HydrophobicContact CG2-CD1 4.28Å; I239-I320 WeakPolarHBondContact O-CB 3.32Å; I239-I320 PolarHBondContact O-N 2.9Å; I283-I320 HydrophobicContact CD1-CD1 4.41Å; I283-I320 HydrophobicContact CG1-CD1 4.36Å; F318-I320 HydrophobicContact CD2-CG1 4.4Å; F318-I320 HydrophobicContact CE2-CG1 4.08Å |
| 321 | Y | 90.8 | Very high | 79.2 | Confident | 164 Ų | 164 | 86.6 Ų | 86.6 | 64% | 0.643 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 119.8 | -179.1 | -60.3 | -64.6 | 0 | 0 | 0 | 109 | G238 I239 L319 | G238-Y321 CarbonylContact C-O 3.53Å; G238-Y321 VanDerWaalsContact CA-O 3.24Å; G238-Y321 WeakPolarHBondContact CA-O 3.4Å; I239-Y321 HydrophobicContact CB-CD2 4.38Å; I239-Y321 PolarHBondContact N-O 2.89Å; I239-Y321 PolarHBondContact O-N 3.32Å; L319-Y321 VanDerWaalsContact CD1-O 3.31Å; L319-Y321 WeakPolarHBondContact CD1-O 3.36Å |
| 322 | A | 89.8 | Confident | 78.7 | Confident | 43 Ų | 43 | 90.5 Ų | 90.5 | 36% | 0.355 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 138.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | V236 L319 Q324 | V236-A322 HydrophobicContact CG1-CB 4.31Å; L319-A322 HydrophobicContact CD2-CB 4.04Å; A322-Q324 PolarHBondContact O-N 2.76Å |
| 323 | D | 86.2 | Confident | 78 | Confident | 88 Ų | 88 | 91.6 Ų | 91.6 | 47% | 0.471 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 133 | 164.8 | -70.2 | -19.9 | 0 | 0 | 0 | 107.6 | P237 D325 | P237-D323 HydrophobicContact CB-CB 4.44Å; P237-D323 PolarHBondContact O-N 2.97Å; D323-D325 PolarHBondContact O-N 3.43Å |
| 324 | Q | 74.1 | Confident | 76.9 | Confident | 181 Ų | 181 | 97 Ų | 97 | 85% | 0.846 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -76.2 | 119.6 | 173 | -68.8 | -176.9 | -8.2 | 0 | 0 | 107 | A322 D326 | A322-Q324 PolarHBondContact O-N 2.76Å; Q324-D326 VanDerWaalsContact C-N 3.3Å; Q324-D326 PolarHBondContact O-N 3.35Å |
| 325 | D | 60.2 | Low | 75.6 | Confident | 143 Ų | 143 | 100.3 Ų | 100.3 | 77% | 0.765 | 53% | 0.527 | S | S | * | . | trans | -61.8 | 98.5 | 164.4 | -66.2 | -42 | 0 | 0 | 0 | 106.3 | D323 P327 | D323-D325 PolarHBondContact O-N 3.43Å; D325-P327 WeakPolarHBondContact O-CD 3.46Å; D325-P327 WeakPolarHBondContact O-CG 3.43Å | ||
| 326 | D | 48.2 | Very low | 74.1 | Confident | 125 Ų | 125 | 107 Ų | 107 | 67% | 0.668 | 56% | 0.562 | S | S | * | * | trans | -71.9 | 106.7 | 178.2 | -144.2 | -20.5 | 0 | 0 | 0 | 107.3 | Q324 N328 | Q324-D326 VanDerWaalsContact C-N 3.3Å; Q324-D326 PolarHBondContact O-N 3.35Å; D326-N328 PolarHBondContact O-N 3.48Å | ||
| 327 | P | 53.8 | Low | 72.4 | Confident | 114 Ų | 114 | 112.5 Ų | 112.5 | 74% | 0.74 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 5.2 | -171.7 | -12 | 29.8 | 0 | 0 | 0 | 113.3 | D325 | D325-P327 WeakPolarHBondContact O-CD 3.46Å; D325-P327 WeakPolarHBondContact O-CG 3.43Å |
| 328 | N | 42.2 | Very low | 70.4 | Confident | 140 Ų | 140 | 121.2 Ų | 121.2 | 75% | 0.749 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | 12.8 | -170.7 | -70.7 | -33.3 | 0 | 0 | 0 | 114.2 | D326 V330 | D326-N328 PolarHBondContact O-N 3.48Å; N328-V330 PolarHBondContact O-N 3.23Å |
| 329 | E | 43.1 | Very low | 68.1 | Low | 186 Ų | 186 | 124.1 Ų | 124.1 | 87% | 0.869 | 66% | 0.656 | S | S | * | * | trans | -91.8 | 71.1 | 172.8 | -151.9 | 178.3 | -154.7 | 0 | 0 | 110.8 | ||||
| 330 | V | 39.4 | Very low | 65.6 | Low | 211 Ų | 211 | 132.7 Ų | 132.7 | 100% | 1.279 | 70% | 0.702 | S | S | * | * | trans | -142.9 | 0 | 161.8 | -174.6 | 0 | 0 | 0 | 0 | 110.3 | N328 | N328-V330 PolarHBondContact O-N 3.23Š|
Retrieved 330 of 330 residues in 325.3 ms
(Link to these results)