| 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 | 37.2 | Very low | 33.2 | Very low | 231 Ų | 231 | 130.8 Ų | 130.8 | 100% | 1.138 | 77% | 0.773 | S | S | * | * | 0 | 121 | 0 | -68.5 | 61.6 | 172.4 | 0 | 0 | 105.9 | |||||
| 2 | A | 33.3 | Very low | 33.3 | Very low | 101 Ų | 101 | 132.4 Ų | 132.4 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | cis | 71.9 | 129.3 | 49.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 3 | G | 36.1 | Very low | 33.1 | Very low | 64 Ų | 64 | 135.8 Ų | 135.8 | 66% | 0.66 | 78% | 0.778 | S | S | * | * | cis | -140.9 | 161.2 | -1.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 4 | I | 32.8 | Very low | 33.3 | Very low | 175 Ų | 175 | 134.6 Ų | 134.6 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | 72.6 | 121.6 | 67.8 | -64.2 | 171.7 | 0 | 0 | 0 | 113 | |||||
| 5 | G | 36.5 | Very low | 33.5 | Very low | 65 Ų | 65 | 134.6 Ų | 134.6 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | trans | 152.2 | 82.9 | 178 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 6 | Q | 35.9 | Very low | 33.6 | Very low | 151 Ų | 151 | 133.3 Ų | 133.3 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | 65.4 | 107.7 | 93.8 | -61.8 | -81.1 | -15.8 | 0 | 0 | 111.4 | |||||
| 7 | R | 28.6 | Very low | 33 | Very low | 185 Ų | 185 | 139.6 Ų | 139.6 | 70% | 0.698 | 79% | 0.79 | S | S | * | * | 68.9 | 141.1 | 79.3 | -76.7 | 174.3 | 169.5 | -153.8 | 4.3 | 111.9 | |||||
| 8 | F | 31 | Very low | 33 | Very low | 145 Ų | 145 | 140.1 Ų | 140.1 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | cis | -165 | 159.8 | 14.1 | -115.8 | -38.9 | 0 | 0 | 0 | 109.4 | ||||
| 9 | T | 31.3 | Very low | 32.8 | Very low | 125 Ų | 125 | 138.5 Ų | 138.5 | 77% | 0.767 | 78% | 0.783 | S | S | * | * | trans | 55.8 | 154.4 | 148 | 54 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 10 | S | 30.5 | Very low | 32.5 | Very low | 104 Ų | 104 | 140.3 Ų | 140.3 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | cis | -171.7 | 161.5 | -4.6 | 38.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 11 | A | 32 | Very low | 32.5 | Very low | 93 Ų | 93 | 140 Ų | 140 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | 67.5 | 150.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 12 | D | 34.8 | Very low | 32.1 | Very low | 150 Ų | 150 | 137.2 Ų | 137.2 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | cis | -144.8 | 170.6 | -2 | -132.8 | -35.9 | 0 | 0 | 0 | 112.5 | ||||
| 13 | H | 30.5 | Very low | 32 | Very low | 176 Ų | 176 | 142.6 Ų | 142.6 | 82% | 0.815 | 77% | 0.771 | S | S | * | * | trans | -73.9 | 148.5 | 178.4 | -74.4 | -94.5 | 0 | 0 | 0 | 113.3 | ||||
| 14 | S | 35.1 | Very low | 31.9 | Very low | 119 Ų | 119 | 146.4 Ų | 146.4 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | -157.5 | 107.2 | 154.4 | -83 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 15 | V | 36.3 | Very low | 31.8 | Very low | 135 Ų | 135 | 146.2 Ų | 146.2 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -102.2 | 134.2 | 154.5 | 173.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 16 | P | 35.8 | Very low | 31.6 | Very low | 114 Ų | 114 | 146.5 Ų | 146.5 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | trans | -121.3 | 115.1 | 158 | 32.2 | -19.3 | 0 | 0 | 0 | 111.5 | ||||
| 17 | W | 23.1 | Very low | 31.5 | Very low | 241 Ų | 241 | 151.1 Ų | 151.1 | 91% | 0.913 | 79% | 0.788 | S | S | * | * | trans | -62.8 | 138.5 | 133.6 | -77.7 | 34.6 | 0 | 0 | 0 | 107.1 | ||||
| 18 | N | 32.9 | Very low | 31.6 | Very low | 148 Ų | 148 | 146.8 Ų | 146.8 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | -154.6 | 139.1 | 127 | -147 | -6.5 | 0 | 0 | 0 | 114.2 | |||||
| 19 | T | 30.5 | Very low | 31.8 | Very low | 109 Ų | 109 | 148.4 Ų | 148.4 | 67% | 0.669 | 80% | 0.803 | S | S | * | * | trans | -60.9 | 167.6 | 157.6 | 15.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 20 | Q | 25 | Very low | 32.1 | Very low | 174 Ų | 174 | 147.5 Ų | 147.5 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | 73.9 | 101.7 | 145.2 | -171.6 | 173.2 | -1.8 | 0 | 0 | 119.2 | ||||
| 21 | T | 33.5 | Very low | 32.2 | Very low | 134 Ų | 134 | 149.8 Ų | 149.8 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | -143.2 | 115 | 139.9 | 2.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 22 | Q | 28.2 | Very low | 32.3 | Very low | 174 Ų | 174 | 151.2 Ų | 151.2 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | -76.4 | 119.7 | 162.9 | -74.1 | -177.4 | -10.6 | 0 | 0 | 108.9 | ||||
| 23 | Y | 31.4 | Very low | 32.2 | Very low | 213 Ų | 213 | 153.6 Ų | 153.6 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | -164.8 | 129.6 | 145.3 | -70.4 | -61.9 | 0 | 0 | 0 | 104.1 | ||||
| 24 | N | 35 | Very low | 32.3 | Very low | 144 Ų | 144 | 152.1 Ų | 152.1 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | -151.8 | 158.7 | 51.3 | -161.8 | 18.9 | 0 | 0 | 0 | 114 | |||||
| 25 | M | 30.8 | Very low | 32.1 | Very low | 171 Ų | 171 | 156.3 Ų | 156.3 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | trans | -57 | 154.2 | -169.1 | -54 | 164.6 | -170.1 | 0 | 0 | 118.5 | ||||
| 26 | G | 31.9 | Very low | 32 | Very low | 71 Ų | 71 | 155.5 Ų | 155.5 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | trans | 139.4 | 115.9 | 133.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 27 | R | 34 | Very low | 31.9 | Very low | 249 Ų | 249 | 156.5 Ų | 156.5 | 94% | 0.94 | 79% | 0.793 | S | S | * | * | trans | 60.3 | 108.9 | 169.2 | -60.5 | -177.6 | 175.8 | -168 | -2.3 | 115.6 | ||||
| 28 | A | 31 | Very low | 32.3 | Very low | 94 Ų | 94 | 150.6 Ų | 150.6 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | cis | 70.9 | 114.3 | 18.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 29 | M | 34.4 | Very low | 32.1 | Very low | 179 Ų | 179 | 148.6 Ų | 148.6 | 88% | 0.882 | 78% | 0.776 | S | S | * | * | trans | 141.4 | 133.5 | 155.7 | -76.9 | -92.1 | -76.5 | 0 | 0 | 110.8 | ||||
| 30 | V | 36.5 | Very low | 32.1 | Very low | 105 Ų | 105 | 154.3 Ų | 154.3 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | cis | -168.6 | 146.9 | -25 | 107.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 31 | H | 33.4 | Very low | 32.3 | Very low | 152 Ų | 152 | 149.3 Ų | 149.3 | 70% | 0.704 | 78% | 0.782 | S | S | * | * | trans | 30 | 154.6 | 157.6 | -58.4 | -57.3 | 0 | 0 | 0 | 123.3 | ||||
| 32 | D | 33.6 | Very low | 32.2 | Very low | 123 Ų | 123 | 148.4 Ų | 148.4 | 66% | 0.658 | 78% | 0.782 | S | S | * | * | cis | -164.2 | 161.6 | -16.7 | -104.8 | -8.6 | 0 | 0 | 0 | 111.8 | ||||
| 33 | Y | 33.4 | Very low | 32.3 | Very low | 201 Ų | 201 | 146.6 Ų | 146.6 | 79% | 0.788 | 78% | 0.778 | S | S | * | * | trans | 6.1 | 118.8 | 156.1 | -74.5 | -95 | 0 | 0 | 0 | 122.8 | ||||
| 34 | N | 32.4 | Very low | 32.3 | Very low | 144 Ų | 144 | 146.1 Ų | 146.1 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | 33 | 114.8 | 122.1 | -79.9 | -47 | 0 | 0 | 0 | 120.7 | |||||
| 35 | K | 32.1 | Very low | 32.2 | Very low | 207 Ų | 207 | 144.1 Ų | 144.1 | 90% | 0.9 | 77% | 0.774 | S | S | * | * | trans | -166.4 | 133.7 | 133.7 | -108.9 | 163 | -171.8 | 176.1 | 0 | 111.9 | ||||
| 36 | P | 33 | Very low | 32.3 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -98.7 | 134.8 | -178.1 | 35.5 | -32.4 | 0 | 0 | 0 | 114.3 | ||||
| 37 | V | 33 | Very low | 32.2 | Very low | 135 Ų | 135 | 152.3 Ų | 152.3 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -147.5 | 101.5 | 164.7 | -179 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 38 | T | 32.1 | Very low | 32.4 | Very low | 116 Ų | 116 | 145.8 Ų | 145.8 | 71% | 0.712 | 77% | 0.768 | S | S | * | * | 70.2 | 103 | 87.4 | -53.6 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 39 | T | 29.4 | Very low | 32.4 | Very low | 106 Ų | 106 | 148.7 Ų | 148.7 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | trans | 63.4 | 114.6 | 151.1 | -50.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 40 | Y | 29.4 | Very low | 32.4 | Very low | 229 Ų | 229 | 149.1 Ų | 149.1 | 90% | 0.898 | 77% | 0.767 | S | S | * | * | -172.1 | 139 | 105.7 | -103.8 | -70.6 | 0 | 0 | 0 | 111.3 | |||||
| 41 | G | 29.6 | Very low | 32.1 | Very low | 69 Ų | 69 | 149.9 Ų | 149.9 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | -132.1 | 154.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 42 | S | 32.2 | Very low | 32 | Very low | 115 Ų | 115 | 147.5 Ų | 147.5 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -157.1 | 158 | 172.1 | 59.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 43 | N | 29.7 | Very low | 32 | Very low | 137 Ų | 137 | 145.5 Ų | 145.5 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | trans | -118.5 | 153.3 | -164.1 | -58.1 | -70.2 | 0 | 0 | 0 | 113.5 | T45 | N43-T45 WeakPolarHBondContact CB-OG1 3.45Š| ||
| 44 | F | 32 | Very low | 32.1 | Very low | 202 Ų | 202 | 144 Ų | 144 | 89% | 0.886 | 80% | 0.798 | S | S | * | * | trans | -135.6 | 116.9 | 149.8 | -68.5 | -86.5 | 0 | 0 | 0 | 106.3 | ||||
| 45 | T | 32.6 | Very low | 32.6 | Very low | 103 Ų | 103 | 142.3 Ų | 142.3 | 63% | 0.632 | 79% | 0.794 | S | S | * | * | cis | 76.3 | 91.3 | 14.6 | -42.1 | 0 | 0 | 0 | 0 | 116.2 | N43 | N43-T45 WeakPolarHBondContact CB-OG1 3.45Š| ||
| 46 | K | 32.6 | Very low | 32.7 | Very low | 187 Ų | 187 | 139.2 Ų | 139.2 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | trans | 174.4 | 147.3 | 143.9 | -95.7 | 156.1 | -175.8 | 179.9 | 0 | 109.4 | ||||
| 47 | R | 30.2 | Very low | 32.6 | Very low | 226 Ų | 226 | 140.2 Ų | 140.2 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | cis | -165.9 | 149 | -29.5 | -122.4 | -176.3 | -167.8 | -142.6 | 2.7 | 107.6 | ||||
| 48 | P | 37.9 | Very low | 32.7 | Very low | 112 Ų | 112 | 139.9 Ų | 139.9 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -97.7 | 169.8 | -179.8 | 38.6 | -35.3 | 0 | 0 | 0 | 113.4 | ||||
| 49 | L | 31.7 | Very low | 32.7 | Very low | 155 Ų | 155 | 138.3 Ų | 138.3 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | trans | -139.4 | 136.9 | 156 | -85.2 | 101.1 | 0 | 0 | 0 | 112.3 | ||||
| 50 | F | 33.1 | Very low | 32.8 | Very low | 188 Ų | 188 | 137.8 Ų | 137.8 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | -11.7 | 164 | 156.7 | -42.6 | -86.2 | 0 | 0 | 0 | 119.6 | ||||
| 51 | S | 31.3 | Very low | 33.3 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | cis | -152.3 | 174.7 | 21.4 | -159.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 52 | A | 30.9 | Very low | 33.5 | Very low | 103 Ų | 103 | 134.4 Ų | 134.4 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | trans | -94.8 | 157.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 53 | G | 34 | Very low | 33.6 | Very low | 80 Ų | 80 | 138.3 Ų | 138.3 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -170.6 | 129.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 54 | N | 35.6 | Very low | 33.7 | Very low | 171 Ų | 171 | 135.8 Ų | 135.8 | 91% | 0.914 | 79% | 0.794 | S | S | * | * | trans | -101.7 | 165.8 | -170.8 | -119.8 | 16.4 | 0 | 0 | 0 | 113 | ||||
| 55 | P | 41.5 | Very low | 33.8 | Very low | 107 Ų | 107 | 132.7 Ų | 132.7 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | trans | -105 | 166.3 | -153.7 | 40 | -38.7 | 0 | 0 | 0 | 116.6 | ||||
| 56 | V | 34.1 | Very low | 33.9 | Very low | 142 Ų | 142 | 135.2 Ų | 135.2 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -143.1 | 106 | 159.4 | -177.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 57 | N | 31.9 | Very low | 33.7 | Very low | 140 Ų | 140 | 130.3 Ų | 130.3 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | trans | 46.6 | 153.6 | 131.9 | -149 | 8.8 | 0 | 0 | 0 | 124.7 | ||||
| 58 | T | 34.7 | Very low | 33.9 | Very low | 128 Ų | 128 | 125.5 Ų | 125.5 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | 84.9 | 138.4 | 158.2 | 72.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 59 | G | 32.8 | Very low | 33.6 | Very low | 83 Ų | 83 | 127.4 Ų | 127.4 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | 119 | 113.1 | 151.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 60 | A | 31.6 | Very low | 33.4 | Very low | 96 Ų | 96 | 124.7 Ų | 124.7 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | trans | -137 | 154.4 | 166 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 61 | P | 39 | Very low | 33.4 | Very low | 134 Ų | 134 | 122.3 Ų | 122.3 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | -142.4 | -160.5 | 127 | 38.8 | -23.7 | 0 | 0 | 0 | 113.6 | |||||
| 62 | S | 34.8 | Very low | 33.3 | Very low | 92 Ų | 92 | 122.4 Ų | 122.4 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | trans | -154.2 | -178.1 | -147.4 | 51.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 63 | F | 32.5 | Very low | 33.3 | Very low | 198 Ų | 198 | 121.2 Ų | 121.2 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | trans | 72.8 | 152.6 | 170.8 | -66.4 | -69.1 | 0 | 0 | 0 | 116.6 | ||||
| 64 | S | 33.4 | Very low | 33.1 | Very low | 83 Ų | 83 | 128.4 Ų | 128.4 | 58% | 0.58 | 79% | 0.786 | S | S | * | * | cis | -158.6 | 179.4 | -7.4 | 43.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 65 | D | 33.3 | Very low | 32.9 | Very low | 137 Ų | 137 | 128.2 Ų | 128.2 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | trans | 71.1 | 157.2 | 155.4 | -51.1 | -47.9 | 0 | 0 | 0 | 119.9 | ||||
| 66 | I | 34.5 | Very low | 32.4 | Very low | 157 Ų | 157 | 128.8 Ų | 128.8 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | -154.9 | 162.1 | -54.3 | -117.6 | 167.5 | 0 | 0 | 0 | 107.7 | |||||
| 67 | A | 29.4 | Very low | 32.4 | Very low | 84 Ų | 84 | 133.8 Ų | 133.8 | 69% | 0.694 | 80% | 0.795 | S | S | * | * | trans | -55.9 | 162 | -171.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 68 | T | 34.3 | Very low | 32.5 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 76% | 0.761 | 80% | 0.797 | S | S | * | * | 175.4 | 129.7 | 112 | -73 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 69 | L | 30.5 | Very low | 32.3 | Very low | 152 Ų | 152 | 130.5 Ų | 130.5 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | trans | 40 | 116.9 | 155.7 | -67.4 | 167.3 | 0 | 0 | 0 | 123.4 | ||||
| 70 | S | 27.8 | Very low | 32.4 | Very low | 98 Ų | 98 | 132 Ų | 132 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | trans | 29 | 121.8 | 133.5 | 63.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 71 | T | 32.8 | Very low | 32.5 | Very low | 138 Ų | 138 | 132.6 Ų | 132.6 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | -168.7 | 162 | 111.5 | 15.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 72 | S | 30 | Very low | 32.2 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -9 | 124.3 | 162.7 | -47.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 73 | G | 30.9 | Very low | 32 | Very low | 79 Ų | 79 | 140 Ų | 140 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | trans | -175.9 | 109.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 74 | Y | 29.1 | Very low | 31.8 | Very low | 231 Ų | 231 | 138.4 Ų | 138.4 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | trans | -66.7 | 135.6 | 160.8 | -82.9 | -98.2 | 0 | 0 | 0 | 109.2 | ||||
| 75 | N | 32.9 | Very low | 31.7 | Very low | 166 Ų | 166 | 138.1 Ų | 138.1 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | trans | -153 | 126.4 | 154.7 | -108.5 | -42.2 | 0 | 0 | 0 | 111.7 | ||||
| 76 | S | 30.3 | Very low | 31.6 | Very low | 120 Ų | 120 | 140.2 Ų | 140.2 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | trans | -75.6 | 145.4 | -176.8 | -52.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 77 | R | 33 | Very low | 31.3 | Very low | 247 Ų | 247 | 140.6 Ų | 140.6 | 93% | 0.932 | 82% | 0.816 | S | S | * | * | trans | -103.4 | 141.1 | 168.9 | -136.7 | -179.6 | 175.6 | -160.8 | -3.8 | 110.4 | ||||
| 78 | P | 34.8 | Very low | 31.5 | Very low | 121 Ų | 121 | 144.9 Ų | 144.9 | 79% | 0.786 | 83% | 0.825 | S | S | * | * | trans | -107.8 | 153.1 | -156 | 39.2 | -34 | 0 | 0 | 0 | 116.2 | ||||
| 79 | G | 30.5 | Very low | 31.2 | Very low | 78 Ų | 78 | 143.8 Ų | 143.8 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | 82 | 79.9 | 112.7 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 80 | S | 34.1 | Very low | 31.3 | Very low | 114 Ų | 114 | 141.2 Ų | 141.2 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | trans | -169.9 | 119.9 | 146.1 | 44.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 81 | S | 33.8 | Very low | 31.5 | Very low | 108 Ų | 108 | 144.1 Ų | 144.1 | 76% | 0.755 | 82% | 0.824 | S | S | * | * | cis | 66.8 | 121.3 | 31.9 | -138.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 82 | Q | 34.4 | Very low | 31.7 | Very low | 161 Ų | 161 | 142.1 Ų | 142.1 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | cis | -140 | 161.6 | 21.8 | -73.2 | -178.1 | -13.1 | 0 | 0 | 114.6 | ||||
| 83 | R | 29.1 | Very low | 31.8 | Very low | 222 Ų | 222 | 143.6 Ų | 143.6 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | trans | 36.9 | 133.2 | 143.5 | -66.2 | 177.5 | 174.1 | -161.9 | -2.2 | 120.7 | ||||
| 84 | N | 28.4 | Very low | 32 | Very low | 163 Ų | 163 | 143.9 Ų | 143.9 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | -138.2 | 148.1 | 123.3 | -104.1 | -22.7 | 0 | 0 | 0 | 109.6 | |||||
| 85 | G | 31.6 | Very low | 32.2 | Very low | 78 Ų | 78 | 142.5 Ų | 142.5 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | 160.5 | 71.8 | -168.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 86 | E | 30.6 | Very low | 32.2 | Very low | 181 Ų | 181 | 139.7 Ų | 139.7 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -82.4 | 147.7 | -173.4 | -63.1 | -178.4 | 123.2 | 0 | 0 | 112.7 | ||||
| 87 | L | 29.4 | Very low | 32.5 | Very low | 165 Ų | 165 | 137.5 Ų | 137.5 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -141.8 | 166 | 165.7 | -87.5 | 172.9 | 0 | 0 | 0 | 107.9 | ||||
| 88 | I | 32.9 | Very low | 32.4 | Very low | 173 Ų | 173 | 137 Ų | 137 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | trans | 86.1 | 156.2 | -178.4 | -51.1 | 158.7 | 0 | 0 | 0 | 112.7 | ||||
| 89 | S | 28.2 | Very low | 32.4 | Very low | 101 Ų | 101 | 136.2 Ų | 136.2 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -146.3 | 170.3 | -142.8 | 53 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 90 | S | 32.4 | Very low | 32.6 | Very low | 99 Ų | 99 | 138.1 Ų | 138.1 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | trans | 82.6 | 99.3 | 155.8 | -53 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 91 | I | 32.8 | Very low | 32.4 | Very low | 158 Ų | 158 | 142.9 Ų | 142.9 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | 45.3 | 134.8 | 99.9 | -66.2 | 171.9 | 0 | 0 | 0 | 117.5 | |||||
| 92 | P | 37.7 | Very low | 32.7 | Very low | 97 Ų | 97 | 142.6 Ų | 142.6 | 63% | 0.63 | 78% | 0.78 | S | S | * | * | cis | -149.8 | -169.9 | -17.7 | 43.3 | -22.5 | 0 | 0 | 0 | 117.5 | ||||
| 93 | N | 31.9 | Very low | 32.7 | Very low | 153 Ų | 153 | 141.2 Ų | 141.2 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | 68.6 | 124.1 | 147.6 | -68.3 | -12.2 | 0 | 0 | 0 | 123.9 | ||||
| 94 | A | 33.9 | Very low | 33 | Very low | 86 Ų | 86 | 134.5 Ų | 134.5 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | 149.9 | 128.3 | 104.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 95 | F | 33.2 | Very low | 33.3 | Very low | 201 Ų | 201 | 134.7 Ų | 134.7 | 88% | 0.882 | 78% | 0.775 | S | S | * | * | trans | 53.6 | 158.8 | 144 | -78.3 | -114.8 | 0 | 0 | 0 | 122.5 | ||||
| 96 | S | 34 | Very low | 33.3 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | cis | -177.1 | 154.1 | -30.5 | -94.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 97 | G | 35.6 | Very low | 33.4 | Very low | 74 Ų | 74 | 133.1 Ų | 133.1 | 76% | 0.763 | 76% | 0.761 | S | S | * | * | trans | 124.3 | 116.5 | 161.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 98 | R | 32.3 | Very low | 33.6 | Very low | 237 Ų | 237 | 130 Ų | 130 | 89% | 0.894 | 75% | 0.752 | S | S | * | * | 70.5 | 137.2 | 72.7 | -110.9 | -165 | 178.9 | -158.2 | -0.3 | 114.5 | |||||
| 99 | T | 33.8 | Very low | 33.7 | Very low | 105 Ų | 105 | 129 Ų | 129 | 64% | 0.644 | 75% | 0.748 | S | S | * | * | cis | -153.6 | -172.7 | 9.4 | -27.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 100 | T | 34.7 | Very low | 34.1 | Very low | 118 Ų | 118 | 131 Ų | 131 | 72% | 0.724 | 75% | 0.747 | S | S | * | * | cis | -153.4 | -137 | 14.9 | -33.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 101 | Y | 30.3 | Very low | 34.2 | Very low | 214 Ų | 214 | 133 Ų | 133 | 84% | 0.839 | 75% | 0.75 | S | S | * | * | trans | -166.5 | -175.1 | -157.3 | -82.7 | -72.1 | 0 | 0 | 0 | 110.5 | ||||
| 102 | P | 40.8 | Very low | 34.3 | Very low | 101 Ų | 101 | 128.9 Ų | 128.9 | 66% | 0.656 | 75% | 0.745 | S | S | * | * | cis | -140.1 | -160.1 | -37.6 | 37.6 | -16.3 | 0 | 0 | 0 | 114.8 | ||||
| 103 | T | 34.2 | Very low | 34.3 | Very low | 133 Ų | 133 | 129.7 Ų | 129.7 | 82% | 0.816 | 75% | 0.751 | S | S | * | * | trans | 70 | 151.6 | 153.3 | 47 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 104 | A | 34.5 | Very low | 34.4 | Very low | 80 Ų | 80 | 127.7 Ų | 127.7 | 66% | 0.661 | 75% | 0.749 | S | S | * | * | cis | -172.3 | 174 | -18.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 105 | L | 35.8 | Very low | 34.4 | Very low | 167 Ų | 167 | 132.8 Ų | 132.8 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | trans | 69 | 156.6 | 160.1 | -71.9 | 165 | 0 | 0 | 0 | 117.5 | ||||
| 106 | D | 31.6 | Very low | 34.3 | Very low | 138 Ų | 138 | 131.6 Ų | 131.6 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | cis | -151.3 | -179.6 | -10.1 | -170 | 37.1 | 0 | 0 | 0 | 112.4 | ||||
| 107 | S | 31 | Very low | 34.2 | Very low | 89 Ų | 89 | 132.8 Ų | 132.8 | 62% | 0.622 | 74% | 0.744 | S | S | * | * | trans | -38.7 | 160.8 | 175 | 70.2 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 108 | S | 33.9 | Very low | 33.8 | Very low | 98 Ų | 98 | 133.9 Ų | 133.9 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | 171.6 | 130.3 | 115.4 | 65.5 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 109 | L | 35.7 | Very low | 33.8 | Very low | 152 Ų | 152 | 131 Ų | 131 | 80% | 0.796 | 75% | 0.747 | S | S | * | * | trans | 56.8 | 154 | 145.6 | -80.1 | 73.3 | 0 | 0 | 0 | 120.7 | ||||
| 110 | E | 35.6 | Very low | 33.4 | Very low | 145 Ų | 145 | 132 Ų | 132 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | cis | -156.3 | 158 | -3.4 | -134 | -175.8 | 144.5 | 0 | 0 | 113 | ||||
| 111 | N | 34.4 | Very low | 33 | Very low | 141 Ų | 141 | 136.1 Ų | 136.1 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | trans | 42.5 | 141 | 155.2 | -57.1 | -29.9 | 0 | 0 | 0 | 122.5 | ||||
| 112 | G | 36 | Very low | 32.9 | Very low | 70 Ų | 70 | 133.4 Ų | 133.4 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | cis | -166.2 | 177 | 3.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 113 | P | 36.9 | Very low | 32.4 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | trans | -121.5 | 160.5 | -148.8 | 41.2 | -32.2 | 0 | 0 | 0 | 117.9 | ||||
| 114 | S | 35 | Very low | 32.2 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | -175.9 | 148.1 | 151 | -76.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 115 | Y | 32.7 | Very low | 31.9 | Very low | 194 Ų | 194 | 140.4 Ų | 140.4 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | cis | -174.3 | 120.6 | -26.9 | -112.4 | -69 | 0 | 0 | 0 | 106 | ||||
| 116 | F | 31.6 | Very low | 31.7 | Very low | 175 Ų | 175 | 137.4 Ų | 137.4 | 77% | 0.768 | 77% | 0.769 | S | S | * | * | trans | 77 | 123 | 156.1 | -89.9 | -130 | 0 | 0 | 0 | 124.4 | ||||
| 117 | N | 31.8 | Very low | 31.6 | Very low | 133 Ų | 133 | 134 Ų | 134 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | 31.3 | 113.8 | 136.4 | -56.4 | -11.3 | 0 | 0 | 0 | 119.4 | ||||
| 118 | A | 27.1 | Very low | 31.5 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 79% | 0.793 | 78% | 0.775 | S | S | * | * | 75.4 | 109.1 | 53.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 119 | L | 31.7 | Very low | 31.4 | Very low | 178 Ų | 178 | 135.2 Ų | 135.2 | 93% | 0.932 | 78% | 0.778 | S | S | * | * | trans | -148.9 | 134.5 | 141.4 | -110.2 | 174.3 | 0 | 0 | 0 | 110.5 | ||||
| 120 | N | 26.1 | Very low | 31.2 | Very low | 125 Ų | 125 | 136.4 Ų | 136.4 | 67% | 0.668 | 77% | 0.771 | S | S | * | * | trans | -52.4 | 136 | -175.2 | 177.5 | 32.6 | 0 | 0 | 0 | 116.1 | ||||
| 121 | Y | 27.1 | Very low | 30.9 | Very low | 205 Ų | 205 | 135.9 Ų | 135.9 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | 166.8 | 99.1 | 135.4 | -98.8 | -69.7 | 0 | 0 | 0 | 112.4 | ||||
| 122 | N | 28 | Very low | 30.8 | Very low | 156 Ų | 156 | 136.2 Ų | 136.2 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | trans | 159 | 116.1 | 140.7 | -92.2 | -39.4 | 0 | 0 | 0 | 114.3 | ||||
| 123 | N | 29.8 | Very low | 30.5 | Very low | 162 Ų | 162 | 137 Ų | 137 | 87% | 0.866 | 76% | 0.763 | S | S | * | * | trans | -176.1 | 149.6 | 143.3 | -114.1 | -29.8 | 0 | 0 | 0 | 107.2 | ||||
| 124 | S | 29.5 | Very low | 30.1 | Very low | 103 Ų | 103 | 140.5 Ų | 140.5 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | cis | -159.2 | 133.8 | 2.5 | 52.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 125 | Q | 29.2 | Very low | 30 | Very low | 196 Ų | 196 | 139.8 Ų | 139.8 | 92% | 0.916 | 76% | 0.762 | S | S | * | * | trans | -152.3 | 120.6 | 156.9 | -155.6 | 165.9 | 15.2 | 0 | 0 | 110.5 | ||||
| 126 | A | 30.1 | Very low | 29.9 | Very low | 104 Ų | 104 | 135 Ų | 135 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 126.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 127 | G | 29.4 | Very low | 29.8 | Very low | 66 Ų | 66 | 134 Ų | 134 | 68% | 0.68 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -89 | 149 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 128 | P | 30.5 | Very low | 29.7 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 166 | 175.3 | 31 | -35.5 | 0 | 0 | 0 | 112.2 | ||
| 129 | A | 30.5 | Very low | 29.6 | Very low | 90 Ų | 90 | 137.1 Ų | 137.1 | 74% | 0.744 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 144.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N131 | A129-N131 PolarHBondContact O-N 3.15Š|
| 130 | R | 32.4 | Very low | 29.6 | Very low | 176 Ų | 176 | 133.6 Ų | 133.6 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | trans | -91.5 | 91.6 | -176.7 | -65.7 | -175.9 | -178.4 | 179.4 | 1.8 | 111.7 | ||||
| 131 | N | 29.5 | Very low | 29.7 | Very low | 134 Ų | 134 | 134.8 Ų | 134.8 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | trans | -75.5 | 136.8 | 169.2 | -73.4 | 5.9 | 0 | 0 | 0 | 111.1 | A129 S133 | A129-N131 PolarHBondContact O-N 3.15Å; N131-S133 VanDerWaalsContact C-N 3.26Å; N131-S133 PolarHBondContact O-N 3.45Å | ||
| 132 | F | 31.6 | Very low | 29.8 | Very low | 149 Ų | 149 | 130.6 Ų | 130.6 | 65% | 0.654 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -87 | 60.7 | 167.3 | -80.8 | -79 | 0 | 0 | 0 | 110.2 | ||
| 133 | S | 30.6 | Very low | 29.9 | Very low | 86 Ų | 86 | 128.5 Ų | 128.5 | 60% | 0.601 | 75% | 0.751 | S | S | * | * | trans | -161 | 61.1 | -176.9 | 43.8 | 0 | 0 | 0 | 0 | 113.9 | N131 | N131-S133 VanDerWaalsContact C-N 3.26Å; N131-S133 PolarHBondContact O-N 3.45Å | ||
| 134 | E | 28.2 | Very low | 29.9 | Very low | 188 Ų | 188 | 128.6 Ų | 128.6 | 88% | 0.879 | 75% | 0.75 | S | S | * | * | trans | -135 | 93.2 | 161 | -150.9 | 174 | -146 | 0 | 0 | 110.7 | S136 | E134-S136 PolarHBondContact O-N 3.42Š| ||
| 135 | P | 33 | Very low | 29.9 | Very low | 95 Ų | 95 | 130.4 Ų | 130.4 | 62% | 0.617 | 75% | 0.751 | S | S | * | * | trans | -68.8 | 119.3 | 169.6 | 28.5 | -32 | 0 | 0 | 0 | 108.6 | L137 | P135-L137 PolarHBondContact O-N 2.86Š| ||
| 136 | S | 30.3 | Very low | 29.8 | Very low | 94 Ų | 94 | 132 Ų | 132 | 66% | 0.657 | 75% | 0.749 | S | S | * | * | trans | -56.9 | 112.6 | -177.5 | 54.4 | 0 | 0 | 0 | 0 | 111.2 | E134 F138 | E134-S136 PolarHBondContact O-N 3.42Å; S136-F138 PolarHBondContact O-N 3.17Å | ||
| 137 | L | 29.8 | Very low | 29.9 | Very low | 154 Ų | 154 | 133.9 Ų | 133.9 | 81% | 0.806 | 75% | 0.749 | S | S | * | * | trans | -65.5 | 96 | -172.6 | -68.7 | 173.7 | 0 | 0 | 0 | 112.1 | P135 S139 | P135-L137 PolarHBondContact O-N 2.86Å; L137-S139 PolarHBondContact O-N 3.25Å; L137-S139 PolarHBondContact O-OG 3.41Å | ||
| 138 | F | 29.3 | Very low | 29.9 | Very low | 192 Ų | 192 | 135.8 Ų | 135.8 | 84% | 0.842 | 76% | 0.759 | S | S | * | * | trans | -61.9 | 99.7 | 168.3 | -96.4 | -80.1 | 0 | 0 | 0 | 110.3 | S136 S140 | S136-F138 PolarHBondContact O-N 3.17Å; F138-S140 VanDerWaalsContact C-N 3.34Å; F138-S140 PolarHBondContact O-N 2.81Å | ||
| 139 | S | 25.6 | Very low | 29.9 | Very low | 103 Ų | 103 | 133.6 Ų | 133.6 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | trans | -81.1 | 76.8 | -177 | -65.7 | 0 | 0 | 0 | 0 | 111.7 | L137 | L137-S139 PolarHBondContact O-N 3.25Å; L137-S139 PolarHBondContact O-OG 3.41Å | ||
| 140 | S | 30.4 | Very low | 30 | Very low | 104 Ų | 104 | 136 Ų | 136 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | -98.4 | 96.3 | 154.2 | 54.5 | 0 | 0 | 0 | 0 | 107.7 | F138 | F138-S140 VanDerWaalsContact C-N 3.34Å; F138-S140 PolarHBondContact O-N 2.81Å | ||
| 141 | L | 28 | Very low | 30 | Very low | 149 Ų | 149 | 133.7 Ų | 133.7 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | 47.4 | 114.8 | 80.1 | -58.6 | 170.7 | 0 | 0 | 0 | 110.4 | |||||
| 142 | S | 30.9 | Very low | 30.1 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | cis | -129 | 146.7 | 44.5 | 51.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 143 | T | 29.7 | Very low | 30.1 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | trans | -73.4 | 124.7 | 175.4 | -48.6 | 0 | 0 | 0 | 0 | 111.7 | N145 | T143-N145 VanDerWaalsContact C-N 3.28Å; T143-N145 HydrophobicContact CG2-CB 4.14Å; T143-N145 PolarHBondContact O-N 3.32Å | ||
| 144 | I | 29.5 | Very low | 30.1 | Very low | 165 Ų | 165 | 134.3 Ų | 134.3 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | trans | -76.5 | 82 | 164.9 | -56.6 | 178 | 0 | 0 | 0 | 108.7 | ||||
| 145 | N | 30.5 | Very low | 30.3 | Very low | 141 Ų | 141 | 132.1 Ų | 132.1 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | trans | -92.7 | 141.5 | 174.8 | -150.6 | -5.2 | 0 | 0 | 0 | 111.2 | T143 | T143-N145 VanDerWaalsContact C-N 3.28Å; T143-N145 HydrophobicContact CG2-CB 4.14Å; T143-N145 PolarHBondContact O-N 3.32Å | ||
| 146 | R | 26.2 | Very low | 30 | Very low | 230 Ų | 230 | 137.1 Ų | 137.1 | 87% | 0.868 | 77% | 0.768 | S | S | * | * | trans | -99.1 | 106.6 | -166.1 | -61.3 | 176.3 | -178.3 | 179.4 | 0.6 | 112.2 | ||||
| 147 | T | 32.1 | Very low | 30.1 | Very low | 142 Ų | 142 | 139.9 Ų | 139.9 | 87% | 0.871 | 77% | 0.774 | S | S | * | * | trans | -142.3 | 138.7 | 163.1 | 29.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 148 | A | 29 | Very low | 30.1 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 88% | 0.884 | 77% | 0.768 | S | S | * | * | trans | -89.6 | 145.8 | 170 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 149 | G | 31.2 | Very low | 30.2 | Very low | 78 Ų | 78 | 133 Ų | 133 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -174.5 | 103 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 150 | N | 32.3 | Very low | 30.5 | Very low | 141 Ų | 141 | 131.5 Ų | 131.5 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | -49.4 | 152 | -178.9 | -98.2 | 45.9 | 0 | 0 | 0 | 117.5 | ||||
| 151 | D | 31.9 | Very low | 30.5 | Very low | 127 Ų | 127 | 132.1 Ų | 132.1 | 68% | 0.679 | 78% | 0.775 | S | S | * | * | trans | 95.9 | 129.9 | 130 | -80 | -35.4 | 0 | 0 | 0 | 124.6 | ||||
| 152 | L | 32.4 | Very low | 30.6 | Very low | 136 Ų | 136 | 133 Ų | 133 | 71% | 0.712 | 78% | 0.778 | S | S | * | * | trans | 77.5 | 91.4 | 142.7 | -63.5 | 167.9 | 0 | 0 | 0 | 122.7 | ||||
| 153 | T | 30.8 | Very low | 30.6 | Very low | 114 Ų | 114 | 132.9 Ų | 132.9 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | 88.4 | 141.4 | 120.9 | 59 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 154 | N | 30.9 | Very low | 30.6 | Very low | 131 Ų | 131 | 133.2 Ų | 133.2 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | 80.7 | 105.3 | 148.5 | -65.3 | -23.9 | 0 | 0 | 0 | 121.1 | ||||
| 155 | N | 31.8 | Very low | 30.6 | Very low | 142 Ų | 142 | 131 Ų | 131 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | 74.5 | 148.6 | 140 | -67.9 | -32.3 | 0 | 0 | 0 | 119.6 | ||||
| 156 | R | 28.3 | Very low | 30.7 | Very low | 201 Ų | 201 | 130.2 Ų | 130.2 | 76% | 0.758 | 78% | 0.777 | S | S | * | * | cis | -172 | 128.6 | -18.3 | 176.2 | 175.3 | -142.1 | -118.2 | 5.4 | 110.9 | ||||
| 157 | I | 31.4 | Very low | 31 | Very low | 151 Ų | 151 | 123.3 Ų | 123.3 | 77% | 0.774 | 76% | 0.761 | S | S | * | * | trans | 67.6 | 134.8 | 163.2 | -67.6 | 165.6 | 0 | 0 | 0 | 117.6 | ||||
| 158 | G | 30.7 | Very low | 31.1 | Very low | 66 Ų | 66 | 119.6 Ų | 119.6 | 68% | 0.68 | 74% | 0.735 | S | S | * | * | trans | 139.9 | 92 | 154 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 159 | P | 30.7 | Very low | 31.5 | Very low | 135 Ų | 135 | 118.9 Ų | 118.9 | 88% | 0.877 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 124.7 | 171.2 | 32.6 | -31 | 0 | 0 | 0 | 111.6 | ||
| 160 | G | 31.7 | Very low | 31.8 | Very low | 73 Ų | 73 | 118.1 Ų | 118.1 | 75% | 0.753 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -98 | 140.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 161 | S | 30.3 | Very low | 31.7 | Very low | 116 Ų | 116 | 114.7 Ų | 114.7 | 81% | 0.811 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 128.2 | -178.9 | 54.2 | 0 | 0 | 0 | 0 | 112.4 | ||
| 162 | I | 30.5 | Very low | 31.8 | Very low | 167 Ų | 167 | 113.2 Ų | 113.2 | 86% | 0.856 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 121 | 166.2 | -59.7 | 173.9 | 0 | 0 | 0 | 107.9 | ||
| 163 | T | 30.9 | Very low | 31.6 | Very low | 116 Ų | 116 | 111.3 Ų | 111.3 | 71% | 0.712 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 135.1 | 170.8 | 48 | 0 | 0 | 0 | 0 | 110.2 | S165 | T163-S165 PolarHBondContact O-N 3.12Š|
| 164 | P | 29.8 | Very low | 31.6 | Very low | 119 Ų | 119 | 113 Ų | 113 | 77% | 0.773 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 128.5 | 177.5 | 29 | -33.9 | 0 | 0 | 0 | 111 | V166 | P164-V166 PolarHBondContact O-N 3.34Š|
| 165 | S | 29.4 | Very low | 31.5 | Very low | 117 Ų | 117 | 111.1 Ų | 111.1 | 82% | 0.818 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 118.2 | 168 | 38.9 | 0 | 0 | 0 | 0 | 109.8 | T163 | T163-S165 PolarHBondContact O-N 3.12Š|
| 166 | V | 32.7 | Very low | 31.4 | Very low | 126 Ų | 126 | 110 Ų | 110 | 76% | 0.764 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 125.2 | 175.6 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | P164 M168 | P164-V166 PolarHBondContact O-N 3.34Å; V166-M168 PolarHBondContact O-N 2.83Å |
| 167 | P | 31.8 | Very low | 31.4 | Very low | 84 Ų | 84 | 111.9 Ų | 111.9 | 55% | 0.545 | 70% | 0.698 | S | S | . | * | P | Polyproline II helix | trans | -70.6 | 127.9 | 176.6 | 27.9 | -33.2 | 0 | 0 | 0 | 111 | N169 | P167-N169 PolarHBondContact O-N 3.12Å; P167-N169 VanDerWaalsContact O-N 3.1Å |
| 168 | M | 35.6 | Very low | 31.3 | Very low | 64 Ų | 64 | 111.5 Ų | 111.5 | 32% | 0.315 | 70% | 0.698 | S | S | . | * | trans | -79.1 | 88.4 | 179.6 | -177.8 | 176.1 | -179.6 | 0 | 0 | 110.9 | V166 Y480 Q507 | V166-M168 PolarHBondContact O-N 2.83Å; M168-Y480 HydrophobicContact CE-CD1 4.34Å; M168-Y480 HydrophobicContact CE-CE1 4.33Å; M168-Q507 HydrophobicContact CE-CB 4.33Å | ||
| 169 | N | 36.4 | Very low | 31.6 | Very low | 92 Ų | 92 | 113.8 Ų | 113.8 | 49% | 0.492 | 70% | 0.701 | S | S | . | * | trans | -115.4 | 87.8 | 171.9 | -81.2 | -13.5 | 0 | 0 | 0 | 110.2 | P167 A171 | P167-N169 PolarHBondContact O-N 3.12Å; P167-N169 VanDerWaalsContact O-N 3.1Å; N169-A171 PolarHBondContact O-N 2.64Å | ||
| 170 | T | 37.4 | Very low | 31.6 | Very low | 62 Ų | 62 | 110.6 Ų | 110.6 | 38% | 0.38 | 69% | 0.692 | S | S | . | * | trans | -75 | 117.5 | 175.2 | -48.1 | 0 | 0 | 0 | 0 | 110.2 | M172 P534 V535 | T170-M172 PolarHBondContact O-N 2.98Å; T170-P534 HydrophobicContact CG2-CG 4.46Å; T170-V535 HydrophobicContact CG2-CG2 4.45Å | ||
| 171 | A | 31.2 | Very low | 31.4 | Very low | 70 Ų | 70 | 114.9 Ų | 114.9 | 58% | 0.579 | 70% | 0.698 | S | S | * | * | trans | -75.8 | 87 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113 | N169 A173 | N169-A171 PolarHBondContact O-N 2.64Å; A171-A173 VanDerWaalsContact C-N 3.3Å; A171-A173 PolarHBondContact O-N 2.81Å | ||
| 172 | M | 33.1 | Very low | 31.6 | Very low | 96 Ų | 96 | 115.9 Ų | 115.9 | 47% | 0.473 | 69% | 0.694 | S | S | . | * | trans | -78.7 | 75.9 | 166.6 | -89.1 | -70.2 | -109.7 | 0 | 0 | 111.2 | T170 L174 P534 | T170-M172 PolarHBondContact O-N 2.98Å; M172-L174 VanDerWaalsContact C-N 3.33Å; M172-L174 PolarHBondContact O-N 3.34Å; M172-P534 VanDerWaalsContact CE-O 3.25Å; M172-P534 WeakPolarHBondContact CE-O 3.47Å; M172-P534 VanDerWaalsContact SD-O 3.37Å | ||
| 173 | A | 29 | Very low | 31.7 | Very low | 96 Ų | 96 | 117.4 Ų | 117.4 | 79% | 0.793 | 69% | 0.69 | S | S | * | * | trans | -73.8 | 83.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | A171 A175 | A171-A173 VanDerWaalsContact C-N 3.3Å; A171-A173 PolarHBondContact O-N 2.81Å; A173-A175 PolarHBondContact O-N 3.48Å | ||
| 174 | L | 31.1 | Very low | 31.7 | Very low | 149 Ų | 149 | 116.1 Ų | 116.1 | 78% | 0.78 | 69% | 0.686 | S | S | * | * | trans | -58.7 | 117.5 | 175.3 | -86.6 | 165.8 | 0 | 0 | 0 | 110.9 | M172 S176 | M172-L174 VanDerWaalsContact C-N 3.33Å; M172-L174 PolarHBondContact O-N 3.34Å; L174-S176 PolarHBondContact O-N 2.89Å | ||
| 175 | A | 28.6 | Very low | 31.8 | Very low | 91 Ų | 91 | 118.4 Ų | 118.4 | 75% | 0.752 | 69% | 0.691 | S | S | * | * | trans | -68 | 105.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | A173 R177 | A173-A175 PolarHBondContact O-N 3.48Å; A175-R177 PolarHBondContact O-N 3.36Å | ||
| 176 | S | 28.1 | Very low | 32 | Very low | 119 Ų | 119 | 117.4 Ų | 117.4 | 83% | 0.832 | 69% | 0.685 | S | S | * | * | trans | -65.1 | 92.2 | 178 | -173.2 | 0 | 0 | 0 | 0 | 111.5 | L174 N178 | L174-S176 PolarHBondContact O-N 2.89Å; S176-N178 PolarHBondContact O-N 3.26Å | ||
| 177 | R | 30.1 | Very low | 32 | Very low | 240 Ų | 240 | 119.6 Ų | 119.6 | 91% | 0.906 | 69% | 0.69 | S | S | * | * | trans | -78.1 | 94.1 | 168.7 | -84.1 | -168.8 | 169.3 | -157.5 | -1.2 | 109.5 | A175 P179 | A175-R177 PolarHBondContact O-N 3.36Å; R177-P179 VanDerWaalsContact O-CD 3.29Å; R177-P179 WeakPolarHBondContact O-CD 3.39Å | ||
| 178 | N | 29.1 | Very low | 32.1 | Very low | 143 Ų | 143 | 119.1 Ų | 119.1 | 77% | 0.765 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 117.6 | 174.3 | -172.5 | 23.1 | 0 | 0 | 0 | 112.8 | S176 | S176-N178 PolarHBondContact O-N 3.26Š|
| 179 | P | 35.8 | Very low | 31.9 | Very low | 114 Ų | 114 | 120.9 Ų | 120.9 | 74% | 0.74 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 121.5 | 165.3 | 32.8 | -21.7 | 0 | 0 | 0 | 110 | R177 | R177-P179 VanDerWaalsContact O-CD 3.29Å; R177-P179 WeakPolarHBondContact O-CD 3.39Å |
| 180 | G | 31.6 | Very low | 31.7 | Very low | 68 Ų | 68 | 125.8 Ų | 125.8 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 156 | -172 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 181 | N | 28 | Very low | 31.5 | Very low | 163 Ų | 163 | 129.3 Ų | 129.3 | 87% | 0.872 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 134.3 | 171.6 | -64.2 | -7.7 | 0 | 0 | 0 | 112.7 | ||
| 182 | L | 34.2 | Very low | 31.6 | Very low | 138 Ų | 138 | 132.9 Ų | 132.9 | 72% | 0.723 | 77% | 0.77 | S | S | * | * | trans | -148.9 | 133.2 | 151.8 | -75.3 | -173.9 | 0 | 0 | 0 | 110.9 | ||||
| 183 | Y | 33 | Very low | 31.5 | Very low | 199 Ų | 199 | 133.3 Ų | 133.3 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | trans | 43.9 | 109.9 | 159 | -49.6 | -55.2 | 0 | 0 | 0 | 119.3 | ||||
| 184 | S | 29.8 | Very low | 31.7 | Very low | 89 Ų | 89 | 133.7 Ų | 133.7 | 62% | 0.622 | 78% | 0.779 | S | S | * | * | 69.9 | 102.8 | 63.5 | 80.2 | 0 | 0 | 0 | 0 | 116 | |||||
| 185 | N | 32.6 | Very low | 31.7 | Very low | 166 Ų | 166 | 133.8 Ų | 133.8 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | -171 | 173.2 | 112.4 | -94.7 | -14 | 0 | 0 | 0 | 111.7 | |||||
| 186 | S | 32.9 | Very low | 31.8 | Very low | 97 Ų | 97 | 134.7 Ų | 134.7 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | trans | -134.5 | 172.1 | -163.5 | 58.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 187 | I | 33.6 | Very low | 32.2 | Very low | 172 Ų | 172 | 135 Ų | 135 | 88% | 0.882 | 78% | 0.779 | S | S | * | * | trans | 75.8 | 138.6 | 172.1 | -52.9 | 157.2 | 0 | 0 | 0 | 112.8 | ||||
| 188 | G | 32.4 | Very low | 32.1 | Very low | 73 Ų | 73 | 130.8 Ų | 130.8 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | cis | -146.3 | -177.1 | 6.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 189 | S | 32.5 | Very low | 32.3 | Very low | 101 Ų | 101 | 131.5 Ų | 131.5 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | -109.4 | 142.7 | -170.3 | 168.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 190 | E | 32.1 | Very low | 31.9 | Very low | 195 Ų | 195 | 130.8 Ų | 130.8 | 91% | 0.911 | 78% | 0.775 | S | S | * | * | trans | -121.2 | 152.1 | 147 | -69 | -160.3 | 134.4 | 0 | 0 | 109.7 | ||||
| 191 | N | 32.9 | Very low | 31.8 | Very low | 136 Ų | 136 | 135.5 Ų | 135.5 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -97.1 | 139.6 | -174.7 | -77.7 | -64 | 0 | 0 | 0 | 111.7 | ||||
| 192 | T | 34 | Very low | 31.8 | Very low | 145 Ų | 145 | 132 Ų | 132 | 89% | 0.89 | 77% | 0.772 | S | S | * | * | trans | -136.7 | 118.4 | 154.4 | -46.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 193 | S | 31 | Very low | 31.6 | Very low | 106 Ų | 106 | 131.3 Ų | 131.3 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | -125.1 | 110.9 | -168.6 | -50.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 194 | S | 32.8 | Very low | 31.6 | Very low | 103 Ų | 103 | 126.7 Ų | 126.7 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | -160.4 | 134.4 | 166.6 | 57.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 195 | N | 31.3 | Very low | 31.9 | Very low | 152 Ų | 152 | 128 Ų | 128 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | 62.1 | 66.3 | 159.4 | -61.6 | -6.1 | 0 | 0 | 0 | 118.7 | T197 | N195-T197 PolarHBondContact O-N 3.4Š| ||
| 196 | S | 30.2 | Very low | 31.9 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | -77.4 | 89.1 | 154 | 40.6 | 0 | 0 | 0 | 0 | 111.4 | N198 | S196-N198 PolarHBondContact O-N 3.4Š| ||
| 197 | T | 35.7 | Very low | 31.8 | Very low | 127 Ų | 127 | 130 Ų | 130 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | -76.4 | 101 | 166.7 | 48.6 | 0 | 0 | 0 | 0 | 110 | N195 L199 | N195-T197 PolarHBondContact O-N 3.4Å; T197-L199 PolarHBondContact O-N 3.06Å; T197-L199 VanDerWaalsContact O-N 3.1Å | ||
| 198 | N | 29.4 | Very low | 32.3 | Very low | 150 Ų | 150 | 127.9 Ų | 127.9 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | trans | -64 | 108.7 | 179.7 | -69 | -51.7 | 0 | 0 | 0 | 112.1 | S196 | S196-N198 PolarHBondContact O-N 3.4Š| ||
| 199 | L | 31.8 | Very low | 32.6 | Very low | 158 Ų | 158 | 131 Ų | 131 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | trans | -99.9 | 100.3 | 155.3 | -79.4 | 170 | 0 | 0 | 0 | 107.9 | T197 L201 | T197-L199 PolarHBondContact O-N 3.06Å; T197-L199 VanDerWaalsContact O-N 3.1Å; L199-L201 PolarHBondContact O-N 3.23Å | ||
| 200 | S | 27.9 | Very low | 33 | Very low | 99 Ų | 99 | 132.6 Ų | 132.6 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | trans | -75.4 | 92.8 | -177.9 | 54.2 | 0 | 0 | 0 | 0 | 111.4 | S202 | S200-S202 VanDerWaalsContact C-N 3.25Å; S200-S202 PolarHBondContact O-N 3.19Å | ||
| 201 | L | 29.4 | Very low | 34.1 | Very low | 168 Ų | 168 | 127.1 Ų | 127.1 | 88% | 0.88 | 76% | 0.762 | S | S | * | * | trans | -70.1 | 87.6 | 160.1 | -77 | 87.8 | 0 | 0 | 0 | 108.5 | L199 | L199-L201 PolarHBondContact O-N 3.23Š| ||
| 202 | S | 28.6 | Very low | 35.4 | Very low | 90 Ų | 90 | 125.9 Ų | 125.9 | 63% | 0.629 | 76% | 0.761 | S | S | * | * | trans | -122.9 | 62.6 | 179.7 | 67.1 | 0 | 0 | 0 | 0 | 111.3 | S200 S204 | S200-S202 VanDerWaalsContact C-N 3.25Å; S200-S202 PolarHBondContact O-N 3.19Å; S202-S204 PolarHBondContact O-N 3.05Å | ||
| 203 | S | 30.6 | Very low | 37 | Very low | 123 Ų | 123 | 123.6 Ų | 123.6 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | trans | -85 | 33.8 | 167.7 | 58.7 | 0 | 0 | 0 | 0 | 112.3 | S205 | S203-S205 PolarHBondContact O-N 3.1Å; S203-S205 VanDerWaalsContact O-N 3.13Å | ||
| 204 | S | 32 | Very low | 39.1 | Very low | 101 Ų | 101 | 125.1 Ų | 125.1 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | -64.2 | 111.5 | 166.1 | -52.4 | 0 | 0 | 0 | 0 | 108.3 | S202 R206 | S202-S204 PolarHBondContact O-N 3.05Å; S204-R206 PolarHBondContact O-N 2.9Å | ||
| 205 | S | 35.8 | Very low | 40.3 | Very low | 118 Ų | 118 | 126.8 Ų | 126.8 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | trans | -56.8 | 109 | 170.6 | 35.3 | 0 | 0 | 0 | 0 | 108.8 | S203 G207 | S203-S205 PolarHBondContact O-N 3.1Å; S203-S205 VanDerWaalsContact O-N 3.13Å; S205-G207 PolarHBondContact O-N 3.4Å; S205-G207 VanDerWaalsContact O-N 3.1Å | ||
| 206 | R | 32.4 | Very low | 41.8 | Very low | 236 Ų | 236 | 124.7 Ų | 124.7 | 89% | 0.891 | 74% | 0.74 | S | S | * | * | trans | -59.7 | 118.1 | 179.7 | -72 | -179.2 | 176.1 | 172.8 | -1.5 | 108.6 | S204 V208 | S204-R206 PolarHBondContact O-N 2.9Å; R206-V208 PolarHBondContact O-N 2.96Å | ||
| 207 | G | 32.4 | Very low | 43.2 | Very low | 67 Ų | 67 | 124.9 Ų | 124.9 | 69% | 0.691 | 74% | 0.739 | S | S | * | * | trans | -56.3 | 124.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | S205 T209 | S205-G207 PolarHBondContact O-N 3.4Å; S205-G207 VanDerWaalsContact O-N 3.1Å; G207-T209 PolarHBondContact O-N 3.21Å | ||
| 208 | V | 43.2 | Very low | 43.6 | Very low | 129 Ų | 129 | 126.4 Ų | 126.4 | 78% | 0.782 | 74% | 0.741 | S | S | * | * | trans | -71.8 | 95.1 | 173.8 | -79.2 | 0 | 0 | 0 | 0 | 109.1 | R206 L210 | R206-V208 PolarHBondContact O-N 2.96Å; V208-L210 PolarHBondContact O-N 2.76Å | ||
| 209 | T | 39.2 | Very low | 44.1 | Very low | 139 Ų | 139 | 126.6 Ų | 126.6 | 85% | 0.853 | 74% | 0.741 | S | S | * | * | trans | -67.9 | 95.6 | 167.9 | 52.7 | 0 | 0 | 0 | 0 | 108.8 | G207 D211 | G207-T209 PolarHBondContact O-N 3.21Å; T209-D211 PolarHBondContact O-N 3.34Å | ||
| 210 | L | 41.3 | Very low | 44.3 | Very low | 133 Ų | 133 | 124.5 Ų | 124.5 | 70% | 0.696 | 73% | 0.734 | S | S | * | * | trans | -68.1 | 121.7 | 174.1 | -61.3 | 174.1 | 0 | 0 | 0 | 109.1 | V208 P212 | V208-L210 PolarHBondContact O-N 2.76Å; L210-P212 WeakPolarHBondContact O-CD 3.47Å | ||
| 211 | D | 53.8 | Low | 44.6 | Very low | 80 Ų | 80 | 125.8 Ų | 125.8 | 43% | 0.428 | 74% | 0.744 | S | S | . | * | trans | -78.4 | 123.1 | 169.2 | -168.3 | -27 | 0 | 0 | 0 | 108.5 | T209 S213 D214 | T209-D211 PolarHBondContact O-N 3.34Å; D211-S213 PolarHBondContact O-N 2.78Å; D211-S213 WeakPolarHBondContact OD1-CB 3.43Å; D211-S213 PolarHBondContact OD1-N 3Å; D211-S213 PolarHBondContact OD1-OG 3.37Å; D211-D214 PolarHBondContact O-N 3.39Å; D211-D214 VanDerWaalsContact O-N 3.15Å | ||
| 212 | P | 61.4 | Low | 45 | Very low | 110 Ų | 110 | 123.8 Ų | 123.8 | 71% | 0.714 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -56.2 | -20.5 | 172.9 | -25.2 | 35.9 | 0 | 0 | 0 | 113.8 | L210 D214 F215 | L210-P212 WeakPolarHBondContact O-CD 3.47Å; P212-D214 VanDerWaalsContact C-N 3.32Å; P212-D214 PolarHBondContact O-N 3.31Å; P212-F215 PolarHBondContact O-N 3.08Å |
| 213 | S | 67.9 | Low | 45.2 | Very low | 97 Ų | 97 | 123.4 Ų | 123.4 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -71.1 | -20 | 179 | -44.2 | 0 | 0 | 0 | 0 | 114.1 | D211 F215 | D211-S213 PolarHBondContact O-N 2.78Å; D211-S213 WeakPolarHBondContact OD1-CB 3.43Å; D211-S213 PolarHBondContact OD1-N 3Å; D211-S213 PolarHBondContact OD1-OG 3.37Å; S213-F215 PolarHBondContact O-N 2.96Å |
| 214 | D | 73.9 | Confident | 45.3 | Very low | 138 Ų | 138 | 129.3 Ų | 129.3 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -74.1 | -10.9 | 177.7 | -82 | -30.1 | 0 | 0 | 0 | 112.9 | D211 P212 | D211-D214 PolarHBondContact O-N 3.39Å; D211-D214 VanDerWaalsContact O-N 3.15Å; P212-D214 VanDerWaalsContact C-N 3.32Å; P212-D214 PolarHBondContact O-N 3.31Å |
| 215 | F | 57.4 | Low | 45.4 | Very low | 139 Ų | 139 | 130.5 Ų | 130.5 | 61% | 0.61 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -90.5 | 123.8 | 178.1 | -68.3 | -86 | 0 | 0 | 0 | 111.3 | P212 S213 | P212-F215 PolarHBondContact O-N 3.08Å; S213-F215 PolarHBondContact O-N 2.96Å |
| 216 | P | 63.4 | Low | 45.4 | Very low | 107 Ų | 107 | 127.8 Ų | 127.8 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 138.9 | 176 | 27.3 | -34 | 0 | 0 | 0 | 110.4 | I218 | P216-I218 PolarHBondContact O-N 3.45Š|
| 217 | P | 59.2 | Low | 45.5 | Very low | 114 Ų | 114 | 124.7 Ų | 124.7 | 74% | 0.74 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 127.2 | -175.9 | 25.1 | -34.1 | 0 | 0 | 0 | 111.2 | L219 | P217-L219 PolarHBondContact O-N 3.23Š|
| 218 | I | 45.7 | Very low | 45.8 | Very low | 159 Ų | 159 | 126.8 Ų | 126.8 | 82% | 0.815 | 76% | 0.756 | S | S | * | * | trans | -70 | 98.6 | 176.8 | -59 | 176.8 | 0 | 0 | 0 | 108.5 | P216 T220 | P216-I218 PolarHBondContact O-N 3.45Å; I218-T220 PolarHBondContact O-N 3.25Å | ||
| 219 | L | 39.4 | Very low | 45.2 | Very low | 154 Ų | 154 | 126.2 Ų | 126.2 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | trans | -69.5 | 96.2 | 173.8 | -72 | 173.4 | 0 | 0 | 0 | 110.2 | P217 S221 | P217-L219 PolarHBondContact O-N 3.23Å; L219-S221 PolarHBondContact O-N 3.42Å | ||
| 220 | T | 35.8 | Very low | 45.1 | Very low | 113 Ų | 113 | 125.5 Ų | 125.5 | 69% | 0.693 | 75% | 0.754 | S | S | * | * | trans | -63.8 | 101.1 | 170.6 | 51 | 0 | 0 | 0 | 0 | 110 | I218 T222 | I218-T220 PolarHBondContact O-N 3.25Å; T220-T222 PolarHBondContact O-N 3.44Å | ||
| 221 | S | 34.8 | Very low | 44.8 | Very low | 127 Ų | 127 | 125 Ų | 125 | 89% | 0.888 | 76% | 0.759 | S | S | * | * | trans | -80.8 | 54.1 | -173.9 | 50.6 | 0 | 0 | 0 | 0 | 113.6 | L219 | L219-S221 PolarHBondContact O-N 3.42Š| ||
| 222 | T | 37 | Very low | 43.8 | Very low | 125 Ų | 125 | 131 Ų | 131 | 77% | 0.767 | 78% | 0.781 | S | S | * | * | trans | -106.2 | 118.3 | 176 | 37.9 | 0 | 0 | 0 | 0 | 111.8 | T220 | T220-T222 PolarHBondContact O-N 3.44Š| ||
| 223 | G | 32.9 | Very low | 42.5 | Very low | 83 Ų | 83 | 134.6 Ų | 134.6 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | 83.6 | 86.2 | 161.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 224 | R | 33.6 | Very low | 40.8 | Very low | 246 Ų | 246 | 135.8 Ų | 135.8 | 93% | 0.928 | 80% | 0.796 | S | S | * | * | trans | -137.3 | 77.9 | 147.8 | -161.9 | 171.6 | -176 | 178.4 | 0.4 | 112.2 | ||||
| 225 | S | 34 | Very low | 38.9 | Very low | 127 Ų | 127 | 134.8 Ų | 134.8 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | -70.8 | 136.6 | 154.5 | -174.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 226 | G | 35.7 | Very low | 37.6 | Very low | 60 Ų | 60 | 132.5 Ų | 132.5 | 62% | 0.619 | 81% | 0.807 | S | S | * | * | trans | 173.1 | 117.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S228 | G226-S228 PolarHBondContact O-N 3.22Š| ||
| 227 | N | 33.1 | Very low | 36.1 | Very low | 171 Ų | 171 | 135 Ų | 135 | 91% | 0.914 | 82% | 0.815 | S | S | * | * | trans | -67.2 | 126.6 | -174.7 | -68.8 | -14.2 | 0 | 0 | 0 | 112.8 | ||||
| 228 | S | 38.3 | Very low | 34.8 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | trans | -153.5 | 123.5 | 149.3 | 59.7 | 0 | 0 | 0 | 0 | 110 | G226 | G226-S228 PolarHBondContact O-N 3.22Š| ||
| 229 | S | 31.3 | Very low | 34.3 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | -91.9 | 116.4 | -172.4 | 53.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 230 | T | 37.3 | Very low | 34.1 | Very low | 123 Ų | 123 | 134.1 Ų | 134.1 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | trans | -141 | 109.9 | 163.5 | 52.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 231 | P | 34.1 | Very low | 34.1 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 80% | 0.799 | 82% | 0.818 | S | S | * | * | trans | -79.7 | 133.3 | 171.4 | 32 | -31.5 | 0 | 0 | 0 | 110.1 | ||||
| 232 | F | 33.6 | Very low | 34.1 | Very low | 205 Ų | 205 | 138.8 Ų | 138.8 | 90% | 0.899 | 81% | 0.809 | S | S | * | * | trans | -125.7 | 148.7 | 166.5 | -110.7 | -89.1 | 0 | 0 | 0 | 111 | ||||
| 233 | H | 34.9 | Very low | 33.9 | Very low | 186 Ų | 186 | 140.2 Ų | 140.2 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | trans | -67.1 | 136.9 | -157.8 | -93.3 | -142.2 | 0 | 0 | 0 | 115.2 | ||||
| 234 | S | 30.5 | Very low | 34 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -83.7 | 110.2 | 162.5 | 54.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 235 | S | 34.4 | Very low | 34.1 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | -94.4 | 121 | 162.9 | 56 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 236 | A | 30.7 | Very low | 34.2 | Very low | 90 Ų | 90 | 133.7 Ų | 133.7 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | trans | -75.6 | 172.8 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 237 | N | 31 | Very low | 34.2 | Very low | 161 Ų | 161 | 134.6 Ų | 134.6 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | trans | 80.3 | 66.3 | 174.4 | -57.2 | -17.9 | 0 | 0 | 0 | 118.1 | ||||
| 238 | Q | 33.6 | Very low | 34.4 | Very low | 172 Ų | 172 | 134.4 Ų | 134.4 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | -139.2 | 145.7 | 139.6 | -92.6 | -172.1 | 2.1 | 0 | 0 | 110.8 | ||||
| 239 | P | 33.9 | Very low | 34.3 | Very low | 106 Ų | 106 | 135 Ų | 135 | 69% | 0.688 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 158.9 | 178.3 | 31.8 | -35.3 | 0 | 0 | 0 | 111.8 | L241 | P239-L241 PolarHBondContact O-N 3.43Å; P239-L241 VanDerWaalsContact O-N 3.16Å |
| 240 | P | 36.6 | Very low | 34.4 | Very low | 129 Ų | 129 | 138.4 Ų | 138.4 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 117.4 | -173.4 | 25.6 | -34.7 | 0 | 0 | 0 | 112.2 | ||
| 241 | L | 35.8 | Very low | 34.1 | Very low | 150 Ų | 150 | 136.5 Ų | 136.5 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 135 | 174.2 | -69.9 | 170.8 | 0 | 0 | 0 | 110.6 | P239 N243 | P239-L241 PolarHBondContact O-N 3.43Å; P239-L241 VanDerWaalsContact O-N 3.16Å; L241-N243 PolarHBondContact O-N 3.45Å |
| 242 | R | 34.5 | Very low | 33.9 | Very low | 189 Ų | 189 | 136 Ų | 136 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 128.6 | 174.4 | -76.7 | -178.5 | 165.4 | -152.6 | -3 | 110.3 | Y244 | R242-Y244 VanDerWaalsContact C-N 3.31Å; R242-Y244 HydrophobicContact CB-CD2 3.74Å; R242-Y244 HydrophobicContact CB-CE2 3.8Å; R242-Y244 HydrophobicContact CG-CE2 4.35Å; R242-Y244 PolarHBondContact NH1-OH 3.22Å; R242-Y244 PolarHBondContact O-N 3.39Å |
| 243 | N | 33 | Very low | 33.7 | Very low | 155 Ų | 155 | 131.7 Ų | 131.7 | 83% | 0.829 | 76% | 0.755 | S | S | * | * | trans | -68.8 | 84.3 | 168.5 | -74.9 | -7.5 | 0 | 0 | 0 | 111.2 | L241 V245 | L241-N243 PolarHBondContact O-N 3.45Å; N243-V245 PolarHBondContact O-N 2.98Å | ||
| 244 | Y | 33.3 | Very low | 33.5 | Very low | 158 Ų | 158 | 129.1 Ų | 129.1 | 62% | 0.62 | 75% | 0.752 | S | S | * | * | trans | -86.2 | 98.6 | 166.9 | -85.6 | -82.3 | 0 | 0 | 0 | 110.3 | R242 S246 | R242-Y244 VanDerWaalsContact C-N 3.31Å; R242-Y244 HydrophobicContact CB-CD2 3.74Å; R242-Y244 HydrophobicContact CB-CE2 3.8Å; R242-Y244 HydrophobicContact CG-CE2 4.35Å; R242-Y244 PolarHBondContact NH1-OH 3.22Å; R242-Y244 PolarHBondContact O-N 3.39Å; Y244-S246 VanDerWaalsContact C-N 3.32Å; Y244-S246 PolarHBondContact O-N 3.06Å | ||
| 245 | V | 36.7 | Very low | 33.5 | Very low | 71 Ų | 71 | 130.4 Ų | 130.4 | 43% | 0.43 | 75% | 0.748 | S | S | . | * | trans | -80.4 | 83.9 | 168.6 | -177.2 | 0 | 0 | 0 | 0 | 109.1 | N243 I247 K392 | N243-V245 PolarHBondContact O-N 2.98Å; V245-I247 PolarHBondContact O-N 3.23Å; V245-K392 PolarHBondContact O-NZ 2.73Å | ||
| 246 | S | 36.2 | Very low | 33.4 | Very low | 90 Ų | 90 | 132.6 Ų | 132.6 | 63% | 0.629 | 75% | 0.75 | S | S | * | * | trans | -83.3 | 98 | 177.3 | -65.8 | 0 | 0 | 0 | 0 | 111.2 | Y244 M248 | Y244-S246 VanDerWaalsContact C-N 3.32Å; Y244-S246 PolarHBondContact O-N 3.06Å; S246-M248 PolarHBondContact O-N 2.96Å | ||
| 247 | I | 34.5 | Very low | 33.5 | Very low | 78 Ų | 78 | 136.3 Ų | 136.3 | 40% | 0.4 | 75% | 0.752 | S | S | . | * | S | Bend | trans | -77.1 | 67.2 | 174.2 | 44.3 | 170 | 0 | 0 | 0 | 111.8 | V245 | V245-I247 PolarHBondContact O-N 3.23Š|
| 248 | M | 38.4 | Very low | 33.5 | Very low | 168 Ų | 168 | 134.1 Ų | 134.1 | 83% | 0.828 | 75% | 0.749 | S | S | * | * | trans | -179.1 | 79.8 | 158.8 | -107.1 | 172.5 | -83 | 0 | 0 | 112.1 | S246 | S246-M248 PolarHBondContact O-N 2.96Š| ||
| 249 | S | 35.3 | Very low | 33.4 | Very low | 124 Ų | 124 | 133 Ų | 133 | 87% | 0.867 | 75% | 0.748 | S | S | * | * | trans | -90.6 | 104.6 | 160.7 | -70.8 | 0 | 0 | 0 | 0 | 109 | G251 | S249-G251 PolarHBondContact O-N 3.35Š| ||
| 250 | K | 35.1 | Very low | 33.3 | Very low | 188 Ų | 188 | 133.8 Ų | 133.8 | 82% | 0.817 | 75% | 0.747 | S | S | * | * | trans | -67 | 130.8 | 173.4 | -68.9 | 175.5 | -179.5 | 171.4 | 0 | 109.2 | S252 | K250-S252 PolarHBondContact O-N 3.36Š| ||
| 251 | G | 29.3 | Very low | 33.1 | Very low | 84 Ų | 84 | 135.4 Ų | 135.4 | 87% | 0.866 | 74% | 0.743 | S | S | * | * | trans | -61.6 | 133.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S249 | S249-G251 PolarHBondContact O-N 3.35Š| ||
| 252 | S | 31.3 | Very low | 32.8 | Very low | 111 Ų | 111 | 137.6 Ų | 137.6 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | trans | -124.5 | 125.3 | 167.8 | -173.1 | 0 | 0 | 0 | 0 | 107.7 | K250 | K250-S252 PolarHBondContact O-N 3.36Š| ||
| 253 | S | 28.4 | Very low | 32.5 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 81% | 0.811 | 75% | 0.746 | S | S | * | * | trans | -86.5 | 114.7 | -176.8 | 52.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 254 | T | 32.2 | Very low | 32.6 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | trans | -124.6 | 119.1 | 159.8 | 47.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 255 | I | 30.1 | Very low | 32.4 | Very low | 149 Ų | 149 | 133.6 Ų | 133.6 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | trans | -71.5 | 136 | 171.9 | -63.9 | 159.3 | 0 | 0 | 0 | 107.8 | Q257 | I255-Q257 HydrophobicContact CG2-CG 4.47Š| ||
| 256 | D | 32.4 | Very low | 32.3 | Very low | 164 Ų | 164 | 135.8 Ų | 135.8 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | trans | -146.8 | 150.8 | 151.7 | -126.7 | -34.7 | 0 | 0 | 0 | 111.1 | ||||
| 257 | Q | 31.7 | Very low | 32 | Very low | 168 Ų | 168 | 139 Ų | 139 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | -118.4 | 126.6 | -169.2 | -61.6 | 177.8 | -0.1 | 0 | 0 | 111.4 | I255 | I255-Q257 HydrophobicContact CG2-CG 4.47Š| ||
| 258 | S | 32.4 | Very low | 32.1 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | -165.7 | 128.6 | 151.8 | 18.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 259 | L | 31.1 | Very low | 31.9 | Very low | 148 Ų | 148 | 144.7 Ų | 144.7 | 78% | 0.775 | 81% | 0.809 | S | S | * | * | trans | 51.5 | 109.7 | 144.4 | -81.3 | 72.7 | 0 | 0 | 0 | 121.7 | ||||
| 260 | N | 31.8 | Very low | 32.1 | Very low | 124 Ų | 124 | 143.7 Ų | 143.7 | 66% | 0.663 | 81% | 0.809 | S | S | * | * | 79.5 | 115.9 | 119.2 | -67.5 | -8.4 | 0 | 0 | 0 | 122.1 | |||||
| 261 | Q | 30.9 | Very low | 32.5 | Very low | 162 Ų | 162 | 138.7 Ų | 138.7 | 76% | 0.757 | 80% | 0.802 | S | S | * | * | 51.9 | 109.3 | 126 | -55.7 | -179.6 | 25 | 0 | 0 | 118.4 | |||||
| 262 | F | 30.9 | Very low | 32.9 | Very low | 196 Ų | 196 | 141.1 Ų | 141.1 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | -145.2 | 146.4 | 102.5 | -116.3 | -80.7 | 0 | 0 | 0 | 109.9 | |||||
| 263 | N | 28.5 | Very low | 33.6 | Very low | 132 Ų | 132 | 143.6 Ų | 143.6 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | trans | -134.2 | 113.5 | -172.3 | -175.3 | 15.8 | 0 | 0 | 0 | 109.9 | ||||
| 264 | H | 34.8 | Very low | 34.1 | Very low | 176 Ų | 176 | 147 Ų | 147 | 82% | 0.815 | 81% | 0.81 | S | S | * | * | trans | -144.3 | 109.4 | 171.6 | -93.3 | -65.5 | 0 | 0 | 0 | 111 | ||||
| 265 | S | 28.9 | Very low | 35 | Very low | 111 Ų | 111 | 148.9 Ų | 148.9 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -87.8 | 137.6 | 170 | -40.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 266 | S | 33.3 | Very low | 35.6 | Very low | 116 Ų | 116 | 145.1 Ų | 145.1 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -152.4 | 111.5 | 160.9 | 57.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 267 | N | 31.5 | Very low | 36.8 | Very low | 157 Ų | 157 | 147.1 Ų | 147.1 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | -64.3 | 145.8 | 167.9 | -74.8 | -22.9 | 0 | 0 | 0 | 110.2 | ||||
| 268 | N | 36.7 | Very low | 37.8 | Very low | 169 Ų | 169 | 147.2 Ų | 147.2 | 90% | 0.904 | 80% | 0.795 | S | S | * | * | trans | -158.3 | 149.8 | 133.9 | -103.8 | -28.5 | 0 | 0 | 0 | 111.4 | ||||
| 269 | Q | 33.3 | Very low | 38.9 | Very low | 197 Ų | 197 | 146.7 Ų | 146.7 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | trans | -79.9 | 144.8 | 179.3 | -65.3 | 168.8 | -26.9 | 0 | 0 | 110.8 | ||||
| 270 | A | 40.5 | Very low | 40.3 | Very low | 103 Ų | 103 | 147.8 Ų | 147.8 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | trans | -141.7 | 146.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 271 | A | 42 | Very low | 41.6 | Very low | 83 Ų | 83 | 147.8 Ų | 147.8 | 69% | 0.686 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 166.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L273 | A271-L273 PolarHBondContact O-N 2.93Š|
| 272 | P | 38.9 | Very low | 42.6 | Very low | 135 Ų | 135 | 144.5 Ų | 144.5 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 134.7 | 175.1 | -21.6 | 33.7 | 0 | 0 | 0 | 111.8 | ||
| 273 | L | 44.8 | Very low | 43.3 | Very low | 164 Ų | 164 | 143 Ų | 143 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 128.2 | 180 | -81.7 | 158.3 | 0 | 0 | 0 | 111.6 | A271 | A271-L273 PolarHBondContact O-N 2.93Š|
| 274 | E | 40.3 | Very low | 43.9 | Very low | 188 Ų | 188 | 143 Ų | 143 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 125.5 | 177.8 | -173.6 | 177.3 | -164.9 | 0 | 0 | 110.7 | S276 | E274-S276 PolarHBondContact O-N 3.01Š|
| 275 | F | 49.6 | Very low | 44.2 | Very low | 171 Ų | 171 | 137.5 Ų | 137.5 | 75% | 0.75 | 79% | 0.788 | S | S | * | * | trans | -78.4 | 101.4 | -176.7 | -84.6 | -89.3 | 0 | 0 | 0 | 112.5 | ||||
| 276 | S | 43.8 | Very low | 44.6 | Very low | 69 Ų | 69 | 137.9 Ų | 137.9 | 48% | 0.483 | 79% | 0.79 | S | S | . | * | trans | -70 | 147 | 169.6 | 177.7 | 0 | 0 | 0 | 0 | 112.1 | E274 Q278 D279 | E274-S276 PolarHBondContact O-N 3.01Å; S276-Q278 PolarHBondContact O-N 3.48Å; S276-Q278 PolarHBondContact OG-OE1 3.16Å; S276-Q278 VanDerWaalsContact OG-OE1 3.06Å; S276-D279 PolarHBondContact O-N 3.12Å | ||
| 277 | K | 56.9 | Low | 45 | Very low | 206 Ų | 206 | 141.1 Ų | 141.1 | 90% | 0.896 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | 6.8 | -179.9 | -66.8 | -176.9 | 177.4 | 178 | 0 | 115.3 | ||
| 278 | Q | 52.5 | Low | 45.5 | Very low | 170 Ų | 170 | 142.7 Ų | 142.7 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -12.7 | 178.1 | -71.2 | 160.8 | -46.2 | 0 | 0 | 113.1 | S276 F280 | S276-Q278 PolarHBondContact O-N 3.48Å; S276-Q278 PolarHBondContact OG-OE1 3.16Å; S276-Q278 VanDerWaalsContact OG-OE1 3.06Å; Q278-F280 PolarHBondContact O-N 2.74Å |
| 279 | D | 55.2 | Low | 45.6 | Very low | 104 Ų | 104 | 141 Ų | 141 | 56% | 0.556 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -77.8 | 3.1 | -175.3 | -152.9 | 31.8 | 0 | 0 | 0 | 114.6 | S276 | S276-D279 PolarHBondContact O-N 3.12Š|
| 280 | F | 61.7 | Low | 45.8 | Very low | 171 Ų | 171 | 136.5 Ų | 136.5 | 75% | 0.75 | 79% | 0.79 | S | S | * | * | trans | -125 | 80.8 | 179.7 | -70.4 | -82.6 | 0 | 0 | 0 | 112.1 | Q278 A282 | Q278-F280 PolarHBondContact O-N 2.74Å; F280-A282 VanDerWaalsContact C-N 3.29Å; F280-A282 PolarHBondContact O-N 2.6Å | ||
| 281 | P | 59.6 | Low | 45.7 | Very low | 124 Ų | 124 | 138.1 Ų | 138.1 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | trans | -71.7 | 83.4 | 172.1 | 30.4 | -34.5 | 0 | 0 | 0 | 110.5 | ||||
| 282 | A | 50.5 | Low | 45.3 | Very low | 92 Ų | 92 | 138.9 Ų | 138.9 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | trans | -63.9 | 147 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F280 | F280-A282 VanDerWaalsContact C-N 3.29Å; F280-A282 PolarHBondContact O-N 2.6Å | ||
| 283 | L | 46.2 | Very low | 45.3 | Very low | 165 Ų | 165 | 138.8 Ų | 138.8 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -27.7 | 136.4 | 179.8 | -65 | 160.5 | 0 | 0 | 0 | 115.8 | G285 | L283-G285 PolarHBondContact O-N 3.4Š| ||
| 284 | P | 41.6 | Very low | 44.8 | Very low | 132 Ų | 132 | 136.8 Ų | 136.8 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | trans | -68.6 | 95.7 | -179.4 | 28.8 | -35.1 | 0 | 0 | 0 | 112 | ||||
| 285 | G | 40.2 | Very low | 44.7 | Very low | 61 Ų | 61 | 133.2 Ų | 133.2 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | trans | -65.5 | 129.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L283 H287 | L283-G285 PolarHBondContact O-N 3.4Å; G285-H287 PolarHBondContact O-N 2.96Å | ||
| 286 | S | 37.8 | Very low | 44.1 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | trans | -75.1 | 105.2 | -175.4 | 55.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 287 | H | 42.5 | Very low | 43.8 | Very low | 184 Ų | 184 | 133.8 Ų | 133.8 | 85% | 0.852 | 79% | 0.787 | S | S | * | * | trans | -128.3 | 126.2 | 167.4 | -75.4 | -72.2 | 0 | 0 | 0 | 111.6 | G285 | G285-H287 PolarHBondContact O-N 2.96Š| ||
| 288 | Q | 40.5 | Very low | 42.9 | Very low | 190 Ų | 190 | 128.7 Ų | 128.7 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | trans | -77.1 | 145.3 | 169.5 | -65.9 | 171.2 | -65.5 | 0 | 0 | 109.8 | ||||
| 289 | P | 38.3 | Very low | 42.2 | Very low | 135 Ų | 135 | 126.5 Ų | 126.5 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | -77.9 | 129.6 | 177.8 | 31.1 | -33.5 | 0 | 0 | 0 | 111.6 | ||||
| 290 | A | 39.2 | Very low | 41.1 | Very low | 102 Ų | 102 | 127.5 Ų | 127.5 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | trans | -132.1 | 144.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 291 | T | 37.7 | Very low | 39.9 | Very low | 136 Ų | 136 | 125.6 Ų | 125.6 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | -93.5 | 123.6 | -161 | 46.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 292 | S | 33.2 | Very low | 38.6 | Very low | 99 Ų | 99 | 124.9 Ų | 124.9 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | trans | 33.1 | 116.1 | 142.1 | 60.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 293 | T | 38.3 | Very low | 37.7 | Very low | 133 Ų | 133 | 128.8 Ų | 128.8 | 82% | 0.816 | 80% | 0.798 | S | S | * | * | -166.4 | 119.5 | 110 | 26.3 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 294 | T | 35.7 | Very low | 36.9 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | 52.6 | 150.9 | 131.2 | -31.8 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 295 | T | 38.1 | Very low | 36.5 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 69% | 0.693 | 80% | 0.797 | S | S | * | * | trans | 88.9 | 82.5 | 153.4 | 17.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 296 | T | 36.6 | Very low | 36 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 73% | 0.73 | 80% | 0.802 | S | S | * | * | 71.8 | 117.1 | 117.1 | 56.3 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 297 | V | 37.3 | Very low | 35.9 | Very low | 132 Ų | 132 | 131 Ų | 131 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | trans | 63.5 | 142.9 | 144.9 | -107.2 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 298 | S | 37.5 | Very low | 35.4 | Very low | 100 Ų | 100 | 127.8 Ų | 127.8 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | trans | 74.2 | 141.3 | 150.7 | -62.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 299 | T | 37.6 | Very low | 34.9 | Very low | 123 Ų | 123 | 123.7 Ų | 123.7 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | cis | -148.3 | 165.5 | 1.2 | -8.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 300 | T | 33.6 | Very low | 34.8 | Very low | 126 Ų | 126 | 122 Ų | 122 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -44.3 | 137.6 | 175.9 | 48.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 301 | S | 36.8 | Very low | 34.5 | Very low | 130 Ų | 130 | 125.2 Ų | 125.2 | 91% | 0.909 | 78% | 0.779 | S | S | * | * | trans | -139 | 114.1 | 155.4 | -79.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 302 | S | 31.6 | Very low | 34.4 | Very low | 110 Ų | 110 | 130.3 Ų | 130.3 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -113.1 | 128 | -175.8 | 54.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 303 | L | 31.6 | Very low | 34.5 | Very low | 173 Ų | 173 | 130.7 Ų | 130.7 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | trans | -139.9 | 116 | 167.3 | -75.8 | 178.8 | 0 | 0 | 0 | 111.9 | ||||
| 304 | T | 28.7 | Very low | 34.5 | Very low | 142 Ų | 142 | 132.7 Ų | 132.7 | 87% | 0.871 | 79% | 0.79 | S | S | * | * | trans | -84.8 | 139.3 | 165.9 | 44.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 305 | V | 33.4 | Very low | 34.4 | Very low | 137 Ų | 137 | 131.9 Ų | 131.9 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | trans | -143.8 | 136.9 | 166.8 | -160.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 306 | N | 29.7 | Very low | 34.5 | Very low | 136 Ų | 136 | 131.6 Ų | 131.6 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -78.9 | 144.8 | 170.7 | -72.1 | -13.7 | 0 | 0 | 0 | 111.6 | ||||
| 307 | S | 35.6 | Very low | 34.4 | Very low | 107 Ų | 107 | 131.1 Ų | 131.1 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | -156.9 | 109.4 | 153.2 | -76.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 308 | T | 31.5 | Very low | 34.4 | Very low | 117 Ų | 117 | 129.8 Ų | 129.8 | 72% | 0.718 | 80% | 0.797 | S | S | * | * | 43.9 | 114.6 | 72.7 | 66 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 309 | S | 31.3 | Very low | 34.2 | Very low | 104 Ų | 104 | 132.1 Ų | 132.1 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | 42.8 | 92.9 | 152.6 | 59.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 310 | A | 35.5 | Very low | 34.2 | Very low | 99 Ų | 99 | 132.9 Ų | 132.9 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -123.6 | 97.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 311 | H | 34.1 | Very low | 34.5 | Very low | 170 Ų | 170 | 135.4 Ų | 135.4 | 79% | 0.787 | 81% | 0.808 | S | S | * | * | trans | -67.1 | 130.7 | 178.3 | -60.4 | -105.1 | 0 | 0 | 0 | 110.4 | S313 | H311-S313 PolarHBondContact O-N 3.09Š| ||
| 312 | R | 34.6 | Very low | 34.6 | Very low | 243 Ų | 243 | 135.2 Ų | 135.2 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | trans | -85.2 | 89.5 | 173.9 | -76.1 | -165.3 | 177.6 | -149.9 | 1.2 | 111.3 | L314 | R312-L314 PolarHBondContact O-N 2.82Š| ||
| 313 | S | 35.8 | Very low | 34.7 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | trans | -60.8 | 112.7 | 170.6 | -52.1 | 0 | 0 | 0 | 0 | 111.5 | H311 S315 | H311-S313 PolarHBondContact O-N 3.09Å; S313-S315 PolarHBondContact O-N 3.46Å | ||
| 314 | L | 38.5 | Very low | 35.1 | Very low | 174 Ų | 174 | 132.8 Ų | 132.8 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | trans | -92.5 | 82.5 | 165.2 | -83.3 | 168.7 | 0 | 0 | 0 | 109.6 | R312 A316 | R312-L314 PolarHBondContact O-N 2.82Å; L314-A316 PolarHBondContact O-N 3.41Å | ||
| 315 | S | 34 | Very low | 35.5 | Very low | 107 Ų | 107 | 131.3 Ų | 131.3 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | -73.1 | 90.7 | 177.6 | 55.7 | 0 | 0 | 0 | 0 | 111.6 | S313 S317 | S313-S315 PolarHBondContact O-N 3.46Å; S315-S317 PolarHBondContact O-N 2.81Å | ||
| 316 | A | 38.3 | Very low | 35.8 | Very low | 106 Ų | 106 | 130.8 Ų | 130.8 | 88% | 0.876 | 79% | 0.794 | S | S | * | * | trans | -82.9 | 96.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L314 | L314-A316 PolarHBondContact O-N 3.41Š| ||
| 317 | S | 36.6 | Very low | 36 | Very low | 110 Ų | 110 | 131.1 Ų | 131.1 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -105.2 | 94.5 | -173.2 | 55.5 | 0 | 0 | 0 | 0 | 113.5 | S315 | S315-S317 PolarHBondContact O-N 2.81Š| ||
| 318 | S | 37 | Very low | 36.1 | Very low | 103 Ų | 103 | 130.7 Ų | 130.7 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | -160.7 | 106 | 158.3 | 57.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 319 | I | 33.6 | Very low | 36.2 | Very low | 150 Ų | 150 | 135.1 Ų | 135.1 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | 56.5 | 101 | 138.2 | -49.2 | 166.2 | 0 | 0 | 0 | 117.9 | Q321 | I319-Q321 HydrophobicContact CG2-CG 4.4Š| ||
| 320 | T | 36.9 | Very low | 36.4 | Very low | 139 Ų | 139 | 140.3 Ų | 140.3 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -123.3 | 120.5 | 147.3 | 45.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 321 | Q | 40 | Very low | 36.4 | Very low | 179 Ų | 179 | 142.2 Ų | 142.2 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | -85.3 | 129.8 | 176.3 | -67.5 | -179 | 0.2 | 0 | 0 | 110.7 | I319 | I319-Q321 HydrophobicContact CG2-CG 4.4Š| ||
| 322 | T | 38.4 | Very low | 36.4 | Very low | 125 Ų | 125 | 142.7 Ų | 142.7 | 77% | 0.767 | 80% | 0.796 | S | S | * | * | trans | -99.6 | 123 | 176 | 50 | 0 | 0 | 0 | 0 | 111.3 | A324 | T322-A324 PolarHBondContact O-N 3.3Š| ||
| 323 | P | 34.4 | Very low | 36.6 | Very low | 136 Ų | 136 | 136.1 Ų | 136.1 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | -86.9 | 102.2 | 169.3 | 32.5 | -29.8 | 0 | 0 | 0 | 110.4 | ||||
| 324 | A | 39.3 | Very low | 36.8 | Very low | 97 Ų | 97 | 137.9 Ų | 137.9 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | trans | -101.4 | 134.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | T322 | T322-A324 PolarHBondContact O-N 3.3Š| ||
| 325 | S | 37.6 | Very low | 36.7 | Very low | 111 Ų | 111 | 135.8 Ų | 135.8 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -75.2 | 145.1 | 179.9 | 53.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 326 | T | 39.1 | Very low | 37.1 | Very low | 125 Ų | 125 | 134.8 Ų | 134.8 | 77% | 0.767 | 77% | 0.771 | S | S | * | * | -171.7 | 143.5 | 117.8 | -74.5 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 327 | N | 34.6 | Very low | 37.1 | Very low | 143 Ų | 143 | 136.7 Ų | 136.7 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | trans | -34.1 | 134.6 | 175.9 | -53.4 | -61.8 | 0 | 0 | 0 | 118.2 | ||||
| 328 | S | 37.7 | Very low | 37.4 | Very low | 98 Ų | 98 | 139.3 Ų | 139.3 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | 174.2 | 114.1 | 100.1 | -79.2 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 329 | R | 33 | Very low | 37.5 | Very low | 211 Ų | 211 | 139.5 Ų | 139.5 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | 47.3 | 129.7 | 124.9 | -93.6 | -170.6 | -67.9 | -152.3 | -0.9 | 122.5 | |||||
| 330 | R | 36.2 | Very low | 37.7 | Very low | 212 Ų | 212 | 140 Ų | 140 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | trans | 82.5 | 147.6 | 156.5 | -55.9 | 180 | -163.2 | -102.2 | 9.6 | 116.3 | ||||
| 331 | L | 35.7 | Very low | 37.6 | Very low | 139 Ų | 139 | 136.7 Ų | 136.7 | 73% | 0.728 | 76% | 0.759 | S | S | * | * | cis | -150 | 177.1 | -8.7 | -144.3 | 72 | 0 | 0 | 0 | 112 | ||||
| 332 | F | 34.2 | Very low | 37.9 | Very low | 180 Ų | 180 | 134 Ų | 134 | 79% | 0.789 | 76% | 0.757 | S | S | * | * | trans | -71.2 | 157 | 179.5 | -48.7 | -85 | 0 | 0 | 0 | 115.8 | ||||
| 333 | S | 38.4 | Very low | 37.8 | Very low | 106 Ų | 106 | 133.1 Ų | 133.1 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | trans | 175.6 | 147.8 | 142.4 | 175.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 334 | H | 39.6 | Very low | 38.1 | Very low | 145 Ų | 145 | 131.8 Ų | 131.8 | 67% | 0.671 | 75% | 0.75 | S | S | * | * | cis | -168.9 | 146.1 | -34.6 | -87.5 | -49.1 | 0 | 0 | 0 | 108.7 | ||||
| 335 | T | 37 | Very low | 38.1 | Very low | 130 Ų | 130 | 133.5 Ų | 133.5 | 80% | 0.798 | 75% | 0.75 | S | S | * | * | trans | 60.9 | 154 | 151 | 52 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 336 | S | 41.3 | Very low | 38 | Very low | 85 Ų | 85 | 138.4 Ų | 138.4 | 59% | 0.594 | 75% | 0.752 | S | S | * | * | cis | -165.6 | 150.2 | -8.3 | -104.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 337 | N | 39.5 | Very low | 37.8 | Very low | 146 Ų | 146 | 139.3 Ų | 139.3 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | trans | 53.8 | 155.1 | 145.6 | -53.2 | -12.3 | 0 | 0 | 0 | 119 | ||||
| 338 | H | 41.1 | Very low | 37.9 | Very low | 166 Ų | 166 | 141.4 Ų | 141.4 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | cis | -168.6 | 150.3 | 23.8 | -148.1 | -132.6 | 0 | 0 | 0 | 106.5 | ||||
| 339 | V | 39.5 | Very low | 37.8 | Very low | 106 Ų | 106 | 142.5 Ų | 142.5 | 64% | 0.642 | 76% | 0.762 | S | S | * | * | cis | -162.1 | -139.7 | -7.8 | 71.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 340 | L | 37.4 | Very low | 37.9 | Very low | 162 Ų | 162 | 135.8 Ų | 135.8 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | trans | -75.5 | 169.9 | 179.5 | -55.3 | 135.5 | 0 | 0 | 0 | 112.8 | ||||
| 341 | G | 35.1 | Very low | 37.8 | Very low | 68 Ų | 68 | 137 Ų | 137 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | cis | -172.1 | -176.7 | 6.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 342 | P | 46.2 | Very low | 37.9 | Very low | 123 Ų | 123 | 135.4 Ų | 135.4 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | trans | -113 | 177 | -151.7 | 41.5 | -36.9 | 0 | 0 | 0 | 118.9 | ||||
| 343 | S | 37.1 | Very low | 38 | Very low | 107 Ų | 107 | 135 Ų | 135 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | trans | 79.2 | 114.9 | 162.6 | -54.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 344 | S | 40.4 | Very low | 38.1 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | -177.4 | 143.2 | 77 | -73.8 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 345 | V | 38.5 | Very low | 38.1 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | trans | 68.4 | 112.2 | 135.7 | 178.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 346 | R | 35.2 | Very low | 38.5 | Very low | 214 Ų | 214 | 134.1 Ų | 134.1 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | trans | 83.3 | 111.1 | 137.2 | -173.5 | 170 | -79.8 | -167.6 | -4.9 | 122.2 | ||||
| 347 | N | 34.9 | Very low | 38.6 | Very low | 143 Ų | 143 | 139.7 Ų | 139.7 | 77% | 0.765 | 79% | 0.789 | S | S | * | * | trans | 34.1 | 120.7 | 137 | -49.1 | 8.8 | 0 | 0 | 0 | 120.8 | ||||
| 348 | Q | 38.4 | Very low | 38.4 | Very low | 187 Ų | 187 | 138.5 Ų | 138.5 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | -158.6 | 154.2 | 98.9 | -101.2 | -168.8 | 29.1 | 0 | 0 | 111.3 | G350 | Q348-G350 PolarHBondContact O-N 3.05Š| |||
| 349 | P | 35.6 | Very low | 38.6 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | trans | -86.9 | 104.4 | 178.7 | 33.2 | -31.1 | 0 | 0 | 0 | 111.8 | ||||
| 350 | G | 34.1 | Very low | 38.7 | Very low | 69 Ų | 69 | 134.5 Ų | 134.5 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | -103.1 | 127.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q348 | Q348-G350 PolarHBondContact O-N 3.05Š| ||
| 351 | Y | 34.8 | Very low | 39 | Very low | 237 Ų | 237 | 131.7 Ų | 131.7 | 93% | 0.929 | 79% | 0.785 | S | S | * | * | trans | -65.5 | 130 | 176.8 | -65.9 | -97.8 | 0 | 0 | 0 | 111.6 | ||||
| 352 | S | 37.9 | Very low | 39.8 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | -144.4 | 136.4 | 162.8 | 59.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 353 | N | 34.9 | Very low | 40.1 | Very low | 171 Ų | 171 | 133 Ų | 133 | 91% | 0.914 | 77% | 0.774 | S | S | * | * | trans | -78.5 | 127.6 | -174.1 | -71.9 | -36.2 | 0 | 0 | 0 | 111.2 | ||||
| 354 | V | 42 | Very low | 41.3 | Very low | 130 Ų | 130 | 129.8 Ų | 129.8 | 79% | 0.788 | 76% | 0.757 | S | S | * | * | trans | -111.2 | 120.3 | 161.8 | -175.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 355 | P | 39 | Very low | 42.7 | Very low | 106 Ų | 106 | 128 Ų | 128 | 69% | 0.688 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 136.5 | -174.3 | 27.4 | -34 | 0 | 0 | 0 | 111.1 | K357 | P355-K357 PolarHBondContact O-N 3.12Š|
| 356 | P | 46.2 | Very low | 44.3 | Very low | 127 Ų | 127 | 125 Ų | 125 | 83% | 0.825 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 124.1 | 172.8 | 27.5 | -32.7 | 0 | 0 | 0 | 109.3 | S358 | P356-S358 PolarHBondContact O-N 3.46Š|
| 357 | K | 42.6 | Very low | 45.9 | Very low | 201 Ų | 201 | 118.6 Ų | 118.6 | 87% | 0.874 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -58 | 134.4 | 173.2 | -66.9 | 179.9 | 179.2 | 178.1 | 0 | 109.1 | P355 V359 | P355-K357 PolarHBondContact O-N 3.12Å; K357-V359 PolarHBondContact O-N 3.23Å |
| 358 | S | 36 | Very low | 47.7 | Very low | 121 Ų | 121 | 114.8 Ų | 114.8 | 85% | 0.846 | 68% | 0.676 | S | S | * | * | trans | -62.8 | 96.8 | -177.1 | 55.6 | 0 | 0 | 0 | 0 | 111.8 | P356 G360 | P356-S358 PolarHBondContact O-N 3.46Å; S358-G360 PolarHBondContact O-N 3.04Å | ||
| 359 | V | 44.3 | Very low | 49 | Very low | 132 Ų | 132 | 112.3 Ų | 112.3 | 80% | 0.8 | 68% | 0.677 | S | S | * | * | trans | -63.8 | 119.6 | 161.3 | 179 | 0 | 0 | 0 | 0 | 106.5 | K357 S361 | K357-V359 PolarHBondContact O-N 3.23Å; V359-S361 PolarHBondContact O-N 2.76Å | ||
| 360 | G | 40.8 | Very low | 50.6 | Low | 57 Ų | 57 | 110.7 Ų | 110.7 | 59% | 0.588 | 66% | 0.661 | S | S | * | * | trans | -58.8 | 133.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S358 S362 | S358-G360 PolarHBondContact O-N 3.04Å; G360-S362 VanDerWaalsContact C-N 3.29Å; G360-S362 PolarHBondContact O-N 3.27Å | ||
| 361 | S | 45.5 | Very low | 52.1 | Low | 103 Ų | 103 | 111.1 Ų | 111.1 | 72% | 0.72 | 65% | 0.645 | S | S | * | * | trans | -65 | 85.3 | -177.4 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | V359 N363 | V359-S361 PolarHBondContact O-N 2.76Å; S361-N363 WeakPolarHBondContact CB-OD1 3.41Å; S361-N363 PolarHBondContact O-N 3.34Å | ||
| 362 | S | 50.1 | Low | 53.7 | Low | 63 Ų | 63 | 104.5 Ų | 104.5 | 44% | 0.441 | 63% | 0.625 | S | S | . | * | trans | -73 | 71.8 | 170.3 | 42.4 | 0 | 0 | 0 | 0 | 109.3 | G360 G364 Q366 | G360-S362 VanDerWaalsContact C-N 3.29Å; G360-S362 PolarHBondContact O-N 3.27Å; S362-G364 PolarHBondContact O-N 3.01Å; S362-Q366 VanDerWaalsContact CB-NE2 3.26Å; S362-Q366 PolarHBondContact O-NE2 2.87Å; S362-Q366 VanDerWaalsContact O-NE2 3.1Å; S362-Q366 PolarHBondContact OG-NE2 2.8Å | ||
| 363 | N | 52.6 | Low | 55.3 | Low | 156 Ų | 156 | 100.8 Ų | 100.8 | 83% | 0.834 | 60% | 0.597 | S | S | * | * | trans | -66.4 | 24.2 | -179.3 | -68.5 | -14.2 | 0 | 0 | 0 | 114 | S361 | S361-N363 WeakPolarHBondContact CB-OD1 3.41Å; S361-N363 PolarHBondContact O-N 3.34Å | ||
| 364 | G | 64.2 | Low | 57.2 | Low | 38 Ų | 38 | 95 Ų | 95 | 39% | 0.392 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -119.8 | 152.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | S362 Q366 | S362-G364 PolarHBondContact O-N 3.01Å; G364-Q366 PolarHBondContact O-N 3.36Å; G364-Q366 PolarHBondContact O-NE2 2.78Å |
| 365 | I | 69.7 | Low | 58.8 | Low | 72 Ų | 72 | 93.3 Ų | 93.3 | 37% | 0.369 | 56% | 0.555 | S | S | . | * | trans | -55.5 | 124.9 | 176.9 | -59.3 | 168.4 | 0 | 0 | 0 | 109.3 | V373 M380 L388 | I365-V373 HydrophobicContact CG2-CG1 3.27Å; I365-M380 HydrophobicContact CD1-CE 3.95Å; I365-M380 HydrophobicContact CD1-SD 3.5Å; I365-M380 WeakPolarHBondContact CD1-SD 3.3Å; I365-M380 HydrophobicContact CG1-SD 4.46Å; I365-L388 HydrophobicContact CG2-CD1 4.21Å | ||
| 366 | Q | 70.7 | Confident | 60.5 | Low | 70 Ų | 70 | 90.8 Ų | 90.8 | 33% | 0.327 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 122.5 | -174.9 | -90 | 164.2 | 77.1 | 0 | 0 | 111.4 | S362 G364 L368 V373 T374 N375 | S362-Q366 VanDerWaalsContact CB-NE2 3.26Å; S362-Q366 PolarHBondContact O-NE2 2.87Å; S362-Q366 VanDerWaalsContact O-NE2 3.1Å; S362-Q366 PolarHBondContact OG-NE2 2.8Å; G364-Q366 PolarHBondContact O-N 3.36Å; G364-Q366 PolarHBondContact O-NE2 2.78Å; Q366-L368 HydrophobicContact CB-CD1 4.41Å; Q366-V373 CarbonylContact O-C 3.54Å; Q366-V373 VanDerWaalsContact O-CA 3.31Å; Q366-V373 WeakPolarHBondContact O-CA 3.41Å; Q366-V373 WeakPolarHBondContact O-CG1 3.41Å; Q366-T374 WeakPolarHBondContact CB-OG1 3.5Å; Q366-T374 PolarHBondContact N-O 3.08Å; Q366-T374 PolarHBondContact O-N 3.27Å; Q366-T374 PolarHBondContact O-OG1 3.28Å; Q366-N375 PolarHBondContact NE2-ND2 3.16Å |
| 367 | L | 68.7 | Low | 62 | Low | 78 Ų | 78 | 87.4 Ų | 87.4 | 41% | 0.408 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 120.5 | 174.9 | -70.3 | 88.9 | 0 | 0 | 0 | 109.1 | V373 L391 R395 | L367-V373 HydrophobicContact CD1-CG1 4.29Å; L367-V373 HydrophobicContact CD2-CG2 4.36Å; L367-V373 HydrophobicContact CG-CG1 4.07Å; L367-V373 HydrophobicContact CG-CG2 4.07Å; L367-L391 HydrophobicContact CD1-CD2 3.59Å; L367-L391 HydrophobicContact CD2-CD2 3.75Å; L367-L391 HydrophobicContact CD2-CG 3.78Å; L367-L391 HydrophobicContact CG-CD2 4.28Å; L367-R395 HydrophobicContact CD2-CG 4.25Å |
| 368 | L | 72.5 | Confident | 63.5 | Low | 64 Ų | 64 | 88.4 Ų | 88.4 | 34% | 0.335 | 52% | 0.517 | S | S | . | . | trans | -87.9 | 153.9 | 176.5 | -81.3 | 58.4 | 0 | 0 | 0 | 109.6 | Q366 N370 H371 L372 T374 | Q366-L368 HydrophobicContact CB-CD1 4.41Å; L368-N370 WeakPolarHBondContact CB-OD1 3.17Å; L368-N370 PolarHBondContact O-N 3.04Å; L368-H371 PolarHBondContact O-N 3.3Å; L368-H371 VanDerWaalsContact O-N 3.11Å; L368-L372 PolarHBondContact N-O 3.3Å; L368-T374 HydrophobicContact CD1-CG2 3.79Å; L368-T374 WeakPolarHBondContact CD1-OG1 3.36Å; L368-T374 HydrophobicContact CD2-CG2 4.09Å | ||
| 369 | P | 66.6 | Low | 65.7 | Low | 135 Ų | 135 | 89.8 Ų | 89.8 | 88% | 0.877 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 2.1 | 178.5 | -24.9 | 35.3 | 0 | 0 | 0 | 116.3 | ||
| 370 | N | 69.8 | Low | 67.3 | Low | 88 Ų | 88 | 85.8 Ų | 85.8 | 47% | 0.471 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 19.5 | 177.1 | 62.5 | 3.2 | 0 | 0 | 0 | 112.7 | L368 L372 | L368-N370 WeakPolarHBondContact CB-OD1 3.17Å; L368-N370 PolarHBondContact O-N 3.04Å; N370-L372 PolarHBondContact O-N 3.15Å; N370-L372 VanDerWaalsContact OD1-CB 3.3Å; N370-L372 WeakPolarHBondContact OD1-CB 3.5Å; N370-L372 WeakPolarHBondContact OD1-CG 3.32Å; N370-L372 PolarHBondContact OD1-N 3.16Å; N370-L372 VanDerWaalsContact OD1-N 3.17Å |
| 371 | H | 65.6 | Low | 69.2 | Low | 78 Ų | 78 | 87.8 Ų | 87.8 | 36% | 0.361 | 49% | 0.485 | S | S | . | . | S | Bend | trans | 58.9 | 11.6 | -176 | -44.3 | -94.9 | 0 | 0 | 0 | 115.3 | L368 Y399 | L368-H371 PolarHBondContact O-N 3.3Å; L368-H371 VanDerWaalsContact O-N 3.11Å; H371-Y399 AromaticContact CE1-CD2 3.63Å; H371-Y399 AromaticContact CE1-CE2 3.5Å; H371-Y399 VanDerWaalsContact CE1-CE2 3.5Å; H371-Y399 WeakPolarHBondContact CE1-CE2 3.07Å |
| 372 | L | 68.5 | Low | 70.7 | Confident | 98 Ų | 98 | 85.7 Ų | 85.7 | 51% | 0.513 | 47% | 0.469 | S | S | . | . | trans | -84.5 | 145.8 | 167.9 | -56.2 | -176.6 | 0 | 0 | 0 | 109.6 | L368 N370 | L368-L372 PolarHBondContact N-O 3.3Å; N370-L372 PolarHBondContact O-N 3.15Å; N370-L372 VanDerWaalsContact OD1-CB 3.3Å; N370-L372 WeakPolarHBondContact OD1-CB 3.5Å; N370-L372 WeakPolarHBondContact OD1-CG 3.32Å; N370-L372 PolarHBondContact OD1-N 3.16Å; N370-L372 VanDerWaalsContact OD1-N 3.17Å | ||
| 373 | V | 71.3 | Confident | 72.1 | Confident | 29 Ų | 29 | 86.1 Ų | 86.1 | 18% | 0.176 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 130.8 | 177.1 | -161.4 | 0 | 0 | 0 | 0 | 109.2 | I365 Q366 L367 I376 L388 | I365-V373 HydrophobicContact CG2-CG1 3.27Å; Q366-V373 CarbonylContact O-C 3.54Å; Q366-V373 VanDerWaalsContact O-CA 3.31Å; Q366-V373 WeakPolarHBondContact O-CA 3.41Å; Q366-V373 WeakPolarHBondContact O-CG1 3.41Å; L367-V373 HydrophobicContact CD1-CG1 4.29Å; L367-V373 HydrophobicContact CD2-CG2 4.36Å; L367-V373 HydrophobicContact CG-CG1 4.07Å; L367-V373 HydrophobicContact CG-CG2 4.07Å; V373-I376 HydrophobicContact CB-CD1 4.4Å; V373-I376 HydrophobicContact CB-CG1 4.45Å; V373-I376 HydrophobicContact CG1-CG1 4.38Å; V373-I376 WeakPolarHBondContact O-CD1 3.38Å; V373-L388 HydrophobicContact CB-CD1 3.83Å; V373-L388 HydrophobicContact CB-CG 4.41Å; V373-L388 HydrophobicContact CG1-CD1 3.67Å; V373-L388 HydrophobicContact CG2-CD1 3.98Å; V373-L388 HydrophobicContact CG2-CG 4.25Å |
| 374 | T | 73.5 | Confident | 73.3 | Confident | 50 Ų | 50 | 83.7 Ų | 83.7 | 31% | 0.307 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 167.6 | -179.5 | 60.9 | 0 | 0 | 0 | 0 | 110.9 | Q366 L368 I376 | Q366-T374 WeakPolarHBondContact CB-OG1 3.5Å; Q366-T374 PolarHBondContact N-O 3.08Å; Q366-T374 PolarHBondContact O-N 3.27Å; Q366-T374 PolarHBondContact O-OG1 3.28Å; L368-T374 HydrophobicContact CD1-CG2 3.79Å; L368-T374 WeakPolarHBondContact CD1-OG1 3.36Å; L368-T374 HydrophobicContact CD2-CG2 4.09Å; T374-I376 VanDerWaalsContact C-N 3.25Å; T374-I376 PolarHBondContact O-N 3.09Å |
| 375 | N | 77.1 | Confident | 74.4 | Confident | 93 Ų | 93 | 90 Ų | 90 | 50% | 0.497 | 47% | 0.468 | S | S | . | . | S | Bend | trans | 56.5 | 37.2 | -178.2 | -59.4 | -38.2 | 0 | 0 | 0 | 113.7 | Q366 P377 | Q366-N375 PolarHBondContact NE2-ND2 3.16Å; N375-P377 WeakPolarHBondContact O-CD 3.36Å |
| 376 | I | 74.4 | Confident | 75.2 | Confident | 53 Ų | 53 | 86.9 Ų | 86.9 | 27% | 0.272 | 45% | 0.453 | S | S | . | . | trans | -74.7 | 123.3 | 173.1 | -50.1 | 157.2 | 0 | 0 | 0 | 108.8 | V373 T374 M380 C382 L388 | V373-I376 HydrophobicContact CB-CD1 4.4Å; V373-I376 HydrophobicContact CB-CG1 4.45Å; V373-I376 HydrophobicContact CG1-CG1 4.38Å; V373-I376 WeakPolarHBondContact O-CD1 3.38Å; T374-I376 VanDerWaalsContact C-N 3.25Å; T374-I376 PolarHBondContact O-N 3.09Å; I376-M380 HydrophobicContact CG2-CB 4.1Å; I376-M380 HydrophobicContact CG2-CG 4.26Å; I376-M380 HydrophobicContact CG2-SD 3.86Å; I376-C382 VanDerWaalsContact CG2-SG 3.53Å; I376-L388 HydrophobicContact CD1-CD1 4.33Å; I376-L388 HydrophobicContact CD1-CD2 3.54Å; I376-L388 HydrophobicContact CG1-CD1 4.09Å; I376-L388 HydrophobicContact CG1-CD2 4.17Å | ||
| 377 | P | 76.9 | Confident | 75.8 | Confident | 57 Ų | 57 | 90 Ų | 90 | 37% | 0.37 | 47% | 0.469 | S | S | . | . | trans | -63.2 | 143.1 | 177 | -24.9 | 36.4 | 0 | 0 | 0 | 112.9 | N375 N379 M380 | N375-P377 WeakPolarHBondContact O-CD 3.36Å; P377-N379 WeakPolarHBondContact CB-OD1 3.43Å; P377-N379 PolarHBondContact O-N 3.07Å; P377-N379 VanDerWaalsContact O-N 3.09Å; P377-M380 HydrophobicContact CB-CB 4.38Å; P377-M380 VanDerWaalsContact O-CB 3.31Å; P377-M380 WeakPolarHBondContact O-CB 3.41Å; P377-M380 PolarHBondContact O-N 3.39Å | ||
| 378 | K | 75.8 | Confident | 76.5 | Confident | 221 Ų | 221 | 87.2 Ų | 87.2 | 96% | 0.961 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -15.8 | -178.2 | -68.6 | -174 | 178.7 | -178.5 | 0 | 114.8 | ||
| 379 | N | 80.9 | Confident | 77 | Confident | 151 Ų | 151 | 84.8 Ų | 84.8 | 81% | 0.807 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | 2.9 | 175.7 | 64.9 | -43.4 | 0 | 0 | 0 | 113.3 | P377 | P377-N379 WeakPolarHBondContact CB-OD1 3.43Å; P377-N379 PolarHBondContact O-N 3.07Å; P377-N379 VanDerWaalsContact O-N 3.09Å |
| 380 | M | 78.1 | Confident | 77.9 | Confident | 47 Ų | 47 | 82.1 Ų | 82.1 | 23% | 0.232 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -93.2 | 145.3 | 178 | -175.5 | 176.2 | 173.1 | 0 | 0 | 110.9 | I365 I376 P377 C382 M387 L388 | I365-M380 HydrophobicContact CD1-CE 3.95Å; I365-M380 HydrophobicContact CD1-SD 3.5Å; I365-M380 WeakPolarHBondContact CD1-SD 3.3Å; I365-M380 HydrophobicContact CG1-SD 4.46Å; I376-M380 HydrophobicContact CG2-CB 4.1Å; I376-M380 HydrophobicContact CG2-CG 4.26Å; I376-M380 HydrophobicContact CG2-SD 3.86Å; P377-M380 HydrophobicContact CB-CB 4.38Å; P377-M380 VanDerWaalsContact O-CB 3.31Å; P377-M380 WeakPolarHBondContact O-CB 3.41Å; P377-M380 PolarHBondContact O-N 3.39Å; M380-C382 PolarHBondContact O-N 2.9Å; M380-C382 PolarHBondContact O-SG 3.38Å; M380-C382 VanDerWaalsContact O-SG 3.38Å; M380-M387 HydrophobicContact CE-CB 4.02Å; M380-L388 HydrophobicContact CE-CB 4.06Å; M380-L388 HydrophobicContact CE-CD1 4.14Å |
| 381 | I | 81.1 | Confident | 78.5 | Confident | 100 Ų | 100 | 80.8 Ų | 80.8 | 51% | 0.513 | 42% | 0.415 | S | S | . | . | trans | -68.8 | 111.7 | 171.3 | -58.3 | 176.3 | 0 | 0 | 0 | 108.9 | D383 | I381-D383 VanDerWaalsContact CG2-CG 3.43Å; I381-D383 VanDerWaalsContact CG2-OD1 3.23Å; I381-D383 WeakPolarHBondContact CG2-OD1 3.5Å; I381-D383 WeakPolarHBondContact CG2-OD2 3.14Å | ||
| 382 | C | 76.6 | Confident | 79.1 | Confident | 58 Ų | 58 | 79.8 Ų | 79.8 | 39% | 0.392 | 41% | 0.41 | S | S | . | . | trans | -91.9 | -2.3 | -176.2 | -65 | 0 | 0 | 0 | 0 | 114.3 | I376 M380 | I376-C382 VanDerWaalsContact CG2-SG 3.53Å; M380-C382 PolarHBondContact O-N 2.9Å; M380-C382 PolarHBondContact O-SG 3.38Å; M380-C382 VanDerWaalsContact O-SG 3.38Å | ||
| 383 | D | 79.5 | Confident | 79.6 | Confident | 72 Ų | 72 | 78.3 Ų | 78.3 | 39% | 0.385 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -88.7 | -170.2 | -178.5 | 65.3 | 45.3 | 0 | 0 | 0 | 112.8 | I381 F385 G386 | I381-D383 VanDerWaalsContact CG2-CG 3.43Å; I381-D383 VanDerWaalsContact CG2-OD1 3.23Å; I381-D383 WeakPolarHBondContact CG2-OD1 3.5Å; I381-D383 WeakPolarHBondContact CG2-OD2 3.14Å; D383-F385 VanDerWaalsContact C-N 3.32Å; D383-F385 PolarHBondContact O-N 3.06Å; D383-F385 WeakPolarHBondContact OD1-CA 3.39Å; D383-F385 WeakPolarHBondContact OD1-CB 3.35Å; D383-F385 PolarHBondContact OD1-N 3.2Å; D383-G386 PolarHBondContact OD1-N 3.38Å |
| 384 | Q | 78.7 | Confident | 80.1 | Confident | 105 Ų | 105 | 79.4 Ų | 79.4 | 49% | 0.491 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -72.5 | -17.5 | -178.4 | 68.9 | -175.2 | 28.1 | 0 | 0 | 114.9 | ||
| 385 | F | 85.6 | Confident | 80.3 | Confident | 172 Ų | 172 | 82.6 Ų | 82.6 | 75% | 0.754 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -93.7 | -18.2 | 180 | -52 | -72.6 | 0 | 0 | 0 | 112.2 | D383 | D383-F385 VanDerWaalsContact C-N 3.32Å; D383-F385 PolarHBondContact O-N 3.06Å; D383-F385 WeakPolarHBondContact OD1-CA 3.39Å; D383-F385 WeakPolarHBondContact OD1-CB 3.35Å; D383-F385 PolarHBondContact OD1-N 3.2Å |
| 386 | G | 86.3 | Confident | 80 | Confident | 6 Ų | 6 | 79.6 Ų | 79.6 | 6% | 0.062 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -70.1 | 166.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D383 L388 G389 L390 | D383-G386 PolarHBondContact OD1-N 3.38Å; G386-L388 PolarHBondContact O-N 3.2Å; G386-G389 WeakPolarHBondContact O-CA 3.29Å; G386-G389 PolarHBondContact O-N 2.9Å; G386-L390 PolarHBondContact O-N 3.08Å |
| 387 | M | 84 | Confident | 79.6 | Confident | 134 Ų | 134 | 77.2 Ų | 77.2 | 66% | 0.66 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -54.7 | -22.7 | 173.3 | -70.6 | -63 | -64 | 0 | 0 | 113.4 | M380 L390 L391 | M380-M387 HydrophobicContact CE-CB 4.02Å; M387-L390 HydrophobicContact CE-CD2 4.12Å; M387-L390 HydrophobicContact SD-CD2 4.11Å; M387-L391 WeakPolarHBondContact O-CB 3.38Å; M387-L391 PolarHBondContact O-N 3.04Å |
| 388 | L | 83.5 | Confident | 79.2 | Confident | 20 Ų | 20 | 78.6 Ų | 78.6 | 11% | 0.105 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.6 | -42.8 | 173.2 | -152.9 | 76 | 0 | 0 | 0 | 112.1 | I365 V373 I376 M380 G386 K392 | I365-L388 HydrophobicContact CG2-CD1 4.21Å; V373-L388 HydrophobicContact CB-CD1 3.83Å; V373-L388 HydrophobicContact CB-CG 4.41Å; V373-L388 HydrophobicContact CG1-CD1 3.67Å; V373-L388 HydrophobicContact CG2-CD1 3.98Å; V373-L388 HydrophobicContact CG2-CG 4.25Å; I376-L388 HydrophobicContact CD1-CD1 4.33Å; I376-L388 HydrophobicContact CD1-CD2 3.54Å; I376-L388 HydrophobicContact CG1-CD1 4.09Å; I376-L388 HydrophobicContact CG1-CD2 4.17Å; M380-L388 HydrophobicContact CE-CB 4.06Å; M380-L388 HydrophobicContact CE-CD1 4.14Å; G386-L388 PolarHBondContact O-N 3.2Å; L388-K392 VanDerWaalsContact O-CB 3.32Å; L388-K392 WeakPolarHBondContact O-CB 3.32Å; L388-K392 PolarHBondContact O-N 3.42Å |
| 389 | G | 83.4 | Confident | 79 | Confident | 13 Ų | 13 | 76.4 Ų | 76.4 | 13% | 0.134 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.9 | -45.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | G386 L391 K392 L393 | G386-G389 WeakPolarHBondContact O-CA 3.29Å; G386-G389 PolarHBondContact O-N 2.9Å; G389-L391 PolarHBondContact O-N 3.31Å; G389-K392 PolarHBondContact O-N 2.92Å; G389-L393 WeakPolarHBondContact O-CB 3.15Å; G389-L393 PolarHBondContact O-N 2.72Å |
| 390 | L | 84.6 | Confident | 78.4 | Confident | 80 Ų | 80 | 72.1 Ų | 72.1 | 42% | 0.419 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57.3 | -48.6 | 174 | 176 | 60.6 | 0 | 0 | 0 | 111.9 | G386 M387 K392 L393 I394 | G386-L390 PolarHBondContact O-N 3.08Å; M387-L390 HydrophobicContact CE-CD2 4.12Å; M387-L390 HydrophobicContact SD-CD2 4.11Å; L390-K392 VanDerWaalsContact C-N 3.34Å; L390-K392 PolarHBondContact O-N 3.13Å; L390-L393 WeakPolarHBondContact O-CB 3.29Å; L390-L393 PolarHBondContact O-N 3Å; L390-I394 HydrophobicContact CD1-CD1 4.07Å; L390-I394 HydrophobicContact CD1-CG1 4.39Å; L390-I394 HydrophobicContact CG-CD1 4.08Å; L390-I394 WeakPolarHBondContact O-CG1 3.35Å; L390-I394 PolarHBondContact O-N 2.86Å |
| 391 | L | 82.3 | Confident | 78.1 | Confident | 60 Ų | 60 | 73.5 Ų | 73.5 | 31% | 0.314 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -68.8 | -33.3 | -179.4 | -173.7 | 58.1 | 0 | 0 | 0 | 112.4 | L367 M387 G389 R395 | L367-L391 HydrophobicContact CD1-CD2 3.59Å; L367-L391 HydrophobicContact CD2-CD2 3.75Å; L367-L391 HydrophobicContact CD2-CG 3.78Å; L367-L391 HydrophobicContact CG-CD2 4.28Å; M387-L391 WeakPolarHBondContact O-CB 3.38Å; M387-L391 PolarHBondContact O-N 3.04Å; G389-L391 PolarHBondContact O-N 3.31Å; L391-R395 HydrophobicContact CD1-CG 4.43Å; L391-R395 VanDerWaalsContact O-CB 3.32Å; L391-R395 WeakPolarHBondContact O-CB 3.44Å; L391-R395 VanDerWaalsContact O-CG 3.28Å; L391-R395 WeakPolarHBondContact O-CG 3.4Å; L391-R395 PolarHBondContact O-N 2.83Å |
| 392 | K | 78.2 | Confident | 77.6 | Confident | 57 Ų | 57 | 73.5 Ų | 73.5 | 25% | 0.248 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.2 | -42 | 169.9 | -174.6 | 179.4 | 179.8 | -177 | 0 | 111.2 | V245 L388 G389 L390 R395 V396 | V245-K392 PolarHBondContact O-NZ 2.73Å; L388-K392 VanDerWaalsContact O-CB 3.32Å; L388-K392 WeakPolarHBondContact O-CB 3.32Å; L388-K392 PolarHBondContact O-N 3.42Å; G389-K392 PolarHBondContact O-N 2.92Å; L390-K392 VanDerWaalsContact C-N 3.34Å; L390-K392 PolarHBondContact O-N 3.13Å; K392-R395 CarbonylContact O-C 3.57Å; K392-R395 PolarHBondContact O-N 3.46Å; K392-V396 HydrophobicContact CG-CG2 4.31Å; K392-V396 WeakPolarHBondContact O-CB 3.46Å; K392-V396 WeakPolarHBondContact O-CG2 3.42Å; K392-V396 PolarHBondContact O-N 2.76Å |
| 393 | L | 79.8 | Confident | 77.1 | Confident | 66 Ų | 66 | 72.9 Ų | 72.9 | 35% | 0.346 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.6 | -46.5 | 178.5 | -174.8 | 63.4 | 0 | 0 | 0 | 111.5 | G389 L390 R395 V396 G397 L403 A407 | G389-L393 WeakPolarHBondContact O-CB 3.15Å; G389-L393 PolarHBondContact O-N 2.72Å; L390-L393 WeakPolarHBondContact O-CB 3.29Å; L390-L393 PolarHBondContact O-N 3Å; L393-R395 VanDerWaalsContact C-N 3.34Å; L393-R395 PolarHBondContact O-N 3.44Å; L393-V396 PolarHBondContact O-N 2.76Å; L393-G397 PolarHBondContact O-N 3.37Å; L393-L403 HydrophobicContact CD1-CB 4.43Å; L393-L403 HydrophobicContact CD1-CD1 4.41Å; L393-L403 HydrophobicContact CD1-CD2 4.28Å; L393-A407 HydrophobicContact CB-CB 4.47Å; L393-A407 HydrophobicContact CD2-CB 3.77Å; L393-A407 HydrophobicContact CG-CB 3.68Å |
| 394 | I | 81.7 | Confident | 76.6 | Confident | 53 Ų | 53 | 72.6 Ų | 72.6 | 27% | 0.272 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -57.4 | -46.6 | 173.3 | -66.1 | 164.9 | 0 | 0 | 0 | 110.7 | L390 V396 G397 A407 | L390-I394 HydrophobicContact CD1-CD1 4.07Å; L390-I394 HydrophobicContact CD1-CG1 4.39Å; L390-I394 HydrophobicContact CG-CD1 4.08Å; L390-I394 WeakPolarHBondContact O-CG1 3.35Å; L390-I394 PolarHBondContact O-N 2.86Å; I394-V396 VanDerWaalsContact C-N 3.27Å; I394-V396 PolarHBondContact O-N 2.89Å; I394-G397 PolarHBondContact O-N 3.4Å; I394-A407 HydrophobicContact CG1-CB 4.2Å |
| 395 | R | 77.5 | Confident | 76.3 | Confident | 116 Ų | 116 | 73.3 Ų | 73.3 | 44% | 0.438 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -76.7 | -5.8 | 179.9 | -70 | -77.9 | 164.4 | -111 | -3.4 | 115.1 | L367 L391 K392 L393 D398 Y399 | L367-R395 HydrophobicContact CD2-CG 4.25Å; L391-R395 HydrophobicContact CD1-CG 4.43Å; L391-R395 VanDerWaalsContact O-CB 3.32Å; L391-R395 WeakPolarHBondContact O-CB 3.44Å; L391-R395 VanDerWaalsContact O-CG 3.28Å; L391-R395 WeakPolarHBondContact O-CG 3.4Å; L391-R395 PolarHBondContact O-N 2.83Å; K392-R395 CarbonylContact O-C 3.57Å; K392-R395 PolarHBondContact O-N 3.46Å; L393-R395 VanDerWaalsContact C-N 3.34Å; L393-R395 PolarHBondContact O-N 3.44Å; R395-D398 WeakPolarHBondContact CD-OD2 3.45Å; R395-D398 IonicContact CZ-OD2 3.75Å; R395-D398 IonicContact NH1-OD1 3.75Å; R395-D398 IonicContact NH1-OD2 2.75Å; R395-D398 PolarHBondContact NH1-OD2 3.44Å; R395-Y399 WeakPolarHBondContact O-CD2 3.49Å |
| 396 | V | 70.3 | Confident | 75.9 | Confident | 31 Ų | 31 | 71.4 Ų | 71.4 | 19% | 0.188 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -97.4 | -27.7 | 169.4 | 167.6 | 0 | 0 | 0 | 0 | 110.1 | K392 L393 I394 D398 Y399 D400 L403 | K392-V396 HydrophobicContact CG-CG2 4.31Å; K392-V396 WeakPolarHBondContact O-CB 3.46Å; K392-V396 WeakPolarHBondContact O-CG2 3.42Å; K392-V396 PolarHBondContact O-N 2.76Å; L393-V396 PolarHBondContact O-N 2.76Å; I394-V396 VanDerWaalsContact C-N 3.27Å; I394-V396 PolarHBondContact O-N 2.89Å; V396-D398 PolarHBondContact O-N 3.02Å; V396-Y399 PolarHBondContact O-N 2.69Å; V396-D400 HydrophobicContact CG1-CB 4.38Å; V396-D400 PolarHBondContact O-N 2.95Å; V396-L403 HydrophobicContact CG1-CD1 3.59Å |
| 397 | G | 66.5 | Low | 75.2 | Confident | 2 Ų | 2 | 72.8 Ų | 72.8 | 2% | 0.021 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -56.1 | -33.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L393 I394 Y399 N404 | L393-G397 PolarHBondContact O-N 3.37Å; I394-G397 PolarHBondContact O-N 3.4Å; G397-Y399 PolarHBondContact O-N 3.33Å; G397-N404 WeakPolarHBondContact O-CB 3.46Å; G397-N404 PolarHBondContact O-OD1 3.41Å |
| 398 | D | 69.7 | Low | 75 | Confident | 87 Ų | 87 | 69.7 Ų | 69.7 | 47% | 0.465 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -11.6 | 170.9 | -64.1 | -40.5 | 0 | 0 | 0 | 114 | R395 V396 | R395-D398 WeakPolarHBondContact CD-OD2 3.45Å; R395-D398 IonicContact CZ-OD2 3.75Å; R395-D398 IonicContact NH1-OD1 3.75Å; R395-D398 IonicContact NH1-OD2 2.75Å; R395-D398 PolarHBondContact NH1-OD2 3.44Å; V396-D398 PolarHBondContact O-N 3.02Å |
| 399 | Y | 70.2 | Confident | 74.8 | Confident | 174 Ų | 174 | 70.4 Ų | 70.4 | 68% | 0.682 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.5 | -29 | -174.7 | -61.9 | -93.9 | 0 | 0 | 0 | 115.2 | H371 R395 V396 G397 | H371-Y399 AromaticContact CE1-CD2 3.63Å; H371-Y399 AromaticContact CE1-CE2 3.5Å; H371-Y399 VanDerWaalsContact CE1-CE2 3.5Å; H371-Y399 WeakPolarHBondContact CE1-CE2 3.07Å; R395-Y399 WeakPolarHBondContact O-CD2 3.49Å; V396-Y399 PolarHBondContact O-N 2.69Å; G397-Y399 PolarHBondContact O-N 3.33Å |
| 400 | D | 69.7 | Low | 74.5 | Confident | 62 Ų | 62 | 73.9 Ų | 73.9 | 33% | 0.332 | 40% | 0.399 | S | S | . | . | trans | -110.7 | 108.3 | 174.6 | -178.8 | -12.6 | 0 | 0 | 0 | 109.4 | V396 T402 L403 N404 | V396-D400 HydrophobicContact CG1-CB 4.38Å; V396-D400 PolarHBondContact O-N 2.95Å; D400-T402 PolarHBondContact O-N 2.81Å; D400-T402 VanDerWaalsContact O-N 3.13Å; D400-T402 WeakPolarHBondContact OD1-CA 3.48Å; D400-T402 WeakPolarHBondContact OD1-CB 3.17Å; D400-T402 PolarHBondContact OD1-N 3.04Å; D400-T402 PolarHBondContact OD1-OG1 3.48Å; D400-L403 HydrophobicContact CB-CB 4.22Å; D400-L403 HydrophobicContact CB-CD1 4.23Å; D400-L403 HydrophobicContact CB-CG 4.24Å; D400-L403 PolarHBondContact O-N 3.47Å; D400-N404 PolarHBondContact O-N 3.48Å | ||
| 401 | A | 70.9 | Confident | 74.3 | Confident | 76 Ų | 76 | 74.5 Ų | 74.5 | 63% | 0.628 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -54.6 | -31.9 | 180 | 0 | 0 | 0 | 0 | 0 | 113.2 | N404 M405 | A401-N404 WeakPolarHBondContact O-CB 3.48Å; A401-M405 PolarHBondContact O-N 2.87Å |
| 402 | T | 69.7 | Low | 73.9 | Confident | 99 Ų | 99 | 76.6 Ų | 76.6 | 61% | 0.607 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -66.5 | -42.1 | 177.6 | -25.7 | 0 | 0 | 0 | 0 | 111.4 | D400 | D400-T402 PolarHBondContact O-N 2.81Å; D400-T402 VanDerWaalsContact O-N 3.13Å; D400-T402 WeakPolarHBondContact OD1-CA 3.48Å; D400-T402 WeakPolarHBondContact OD1-CB 3.17Å; D400-T402 PolarHBondContact OD1-N 3.04Å; D400-T402 PolarHBondContact OD1-OG1 3.48Å |
| 403 | L | 66.8 | Low | 73.8 | Confident | 46 Ų | 46 | 77.8 Ų | 77.8 | 24% | 0.241 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -82.5 | -24.1 | -179.7 | -61.3 | 179 | 0 | 0 | 0 | 112 | L393 V396 D400 M405 L406 A407 | L393-L403 HydrophobicContact CD1-CB 4.43Å; L393-L403 HydrophobicContact CD1-CD1 4.41Å; L393-L403 HydrophobicContact CD1-CD2 4.28Å; V396-L403 HydrophobicContact CG1-CD1 3.59Å; D400-L403 HydrophobicContact CB-CB 4.22Å; D400-L403 HydrophobicContact CB-CD1 4.23Å; D400-L403 HydrophobicContact CB-CG 4.24Å; D400-L403 PolarHBondContact O-N 3.47Å; L403-M405 VanDerWaalsContact C-N 3.28Å; L403-M405 PolarHBondContact O-N 3.05Å; L403-L406 HydrophobicContact CD2-CD1 4.08Å; L403-L406 PolarHBondContact O-N 3.17Å; L403-L406 VanDerWaalsContact O-N 3.07Å; L403-A407 PolarHBondContact O-N 2.85Å |
| 404 | N | 69.4 | Low | 73.2 | Confident | 66 Ų | 66 | 78.2 Ų | 78.2 | 35% | 0.353 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58.1 | -42.3 | 171.2 | -152.7 | 19 | 0 | 0 | 0 | 111.2 | G397 D400 A401 L406 P408 G409 | G397-N404 WeakPolarHBondContact O-CB 3.46Å; G397-N404 PolarHBondContact O-OD1 3.41Å; D400-N404 PolarHBondContact O-N 3.48Å; A401-N404 WeakPolarHBondContact O-CB 3.48Å; N404-L406 PolarHBondContact O-N 3.29Å; N404-P408 WeakPolarHBondContact O-CB 3.45Å; N404-P408 VanDerWaalsContact O-CD 3.24Å; N404-P408 WeakPolarHBondContact O-CD 3.33Å; N404-P408 WeakPolarHBondContact OD1-CG 3.24Å; N404-G409 PolarHBondContact O-N 2.86Å |
| 405 | M | 71.9 | Confident | 72.4 | Confident | 120 Ų | 120 | 79.4 Ų | 79.4 | 59% | 0.591 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -16.7 | 176.1 | -66.3 | -175.1 | 71.1 | 0 | 0 | 114.3 | A401 L403 G409 L410 | A401-M405 PolarHBondContact O-N 2.87Å; L403-M405 VanDerWaalsContact C-N 3.28Å; L403-M405 PolarHBondContact O-N 3.05Å; M405-G409 WeakPolarHBondContact O-CA 3.29Å; M405-L410 HydrophobicContact CE-CD2 4.32Å |
| 406 | L | 77.1 | Confident | 71.6 | Confident | 132 Ų | 132 | 74.4 Ų | 74.4 | 69% | 0.691 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -27.9 | -173.3 | -67.2 | -178.6 | 0 | 0 | 0 | 115 | L403 N404 | L403-L406 HydrophobicContact CD2-CD1 4.08Å; L403-L406 PolarHBondContact O-N 3.17Å; L403-L406 VanDerWaalsContact O-N 3.07Å; N404-L406 PolarHBondContact O-N 3.29Å |
| 407 | A | 72.8 | Confident | 71 | Confident | 35 Ų | 35 | 76.2 Ų | 76.2 | 29% | 0.289 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | -50.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114 | L393 I394 L403 G409 | L393-A407 HydrophobicContact CB-CB 4.47Å; L393-A407 HydrophobicContact CD2-CB 3.77Å; L393-A407 HydrophobicContact CG-CB 3.68Å; I394-A407 HydrophobicContact CG1-CB 4.2Å; L403-A407 PolarHBondContact O-N 2.85Å; A407-G409 VanDerWaalsContact C-N 3.32Å |
| 408 | P | 78.2 | Confident | 70.5 | Confident | 68 Ų | 68 | 79 Ų | 79 | 44% | 0.442 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -36.4 | 160.9 | -27.9 | 36.4 | 0 | 0 | 0 | 113.3 | N404 | N404-P408 WeakPolarHBondContact O-CB 3.45Å; N404-P408 VanDerWaalsContact O-CD 3.24Å; N404-P408 WeakPolarHBondContact O-CD 3.33Å; N404-P408 WeakPolarHBondContact OD1-CG 3.24Å |
| 409 | G | 79.6 | Confident | 70.1 | Confident | 35 Ų | 35 | 81.2 Ų | 81.2 | 36% | 0.361 | 46% | 0.456 | S | S | . | . | trans | 86.4 | -165.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N404 M405 A407 | N404-G409 PolarHBondContact O-N 2.86Å; M405-G409 WeakPolarHBondContact O-CA 3.29Å; A407-G409 VanDerWaalsContact C-N 3.32Å | ||
| 410 | L | 78.8 | Confident | 69.5 | Low | 86 Ų | 86 | 81.3 Ų | 81.3 | 45% | 0.45 | 46% | 0.463 | S | S | . | . | trans | -129.5 | 141.6 | 173.5 | 179.6 | 63.7 | 0 | 0 | 0 | 109 | M405 L412 L415 | M405-L410 HydrophobicContact CE-CD2 4.32Å; L410-L412 PolarHBondContact O-N 2.73Å; L410-L415 HydrophobicContact CD2-CD1 4.16Å; L410-L415 HydrophobicContact CD2-CD2 3.96Å; L410-L415 HydrophobicContact CD2-CG 4.12Å | ||
| 411 | D | 79.1 | Confident | 69.1 | Low | 94 Ų | 94 | 82.1 Ų | 82.1 | 50% | 0.503 | 47% | 0.47 | S | S | . | . | trans | -70.8 | 101.1 | 170.5 | 176.5 | 24 | 0 | 0 | 0 | 109.9 | S413 S414 | D411-S413 PolarHBondContact O-N 3.12Å; D411-S413 WeakPolarHBondContact OD1-CB 3.41Å; D411-S413 PolarHBondContact OD1-N 3.45Å; D411-S413 PolarHBondContact OD1-OG 3.02Å; D411-S414 WeakPolarHBondContact O-CB 3.16Å; D411-S414 PolarHBondContact O-N 2.76Å; D411-S414 PolarHBondContact O-OG 3.04Å | ||
| 412 | L | 75.3 | Confident | 68.9 | Low | 104 Ų | 104 | 84.9 Ų | 84.9 | 55% | 0.545 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.7 | -22.9 | 179 | -54.8 | -178.8 | 0 | 0 | 0 | 112.4 | L410 S414 L415 W419 | L410-L412 PolarHBondContact O-N 2.73Å; L412-S414 PolarHBondContact O-N 3.46Å; L412-L415 HydrophobicContact CD2-CD1 3.78Å; L412-L415 WeakPolarHBondContact O-CB 3.07Å; L412-L415 PolarHBondContact O-N 3.26Å; L412-W419 VanDerWaalsContact O-CD1 3.3Å; L412-W419 PolarHBondContact O-NE1 3.31Å |
| 413 | S | 74.3 | Confident | 69 | Low | 81 Ų | 81 | 83 Ų | 83 | 57% | 0.566 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.5 | -32.8 | 173.7 | -32.4 | 0 | 0 | 0 | 0 | 111.9 | D411 H416 | D411-S413 PolarHBondContact O-N 3.12Å; D411-S413 WeakPolarHBondContact OD1-CB 3.41Å; D411-S413 PolarHBondContact OD1-N 3.45Å; D411-S413 PolarHBondContact OD1-OG 3.02Å; S413-H416 CarbonylContact O-C 3.49Å |
| 414 | S | 67.4 | Low | 69.4 | Low | 75 Ų | 75 | 87.5 Ų | 87.5 | 52% | 0.524 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -75.6 | -23 | 179.2 | 74.4 | 0 | 0 | 0 | 0 | 113.8 | D411 L412 H416 | D411-S414 WeakPolarHBondContact O-CB 3.16Å; D411-S414 PolarHBondContact O-N 2.76Å; D411-S414 PolarHBondContact O-OG 3.04Å; L412-S414 PolarHBondContact O-N 3.46Å; S414-H416 VanDerWaalsContact C-N 3.34Å |
| 415 | L | 64.7 | Low | 69.8 | Low | 78 Ų | 78 | 86.6 Ų | 86.6 | 41% | 0.408 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.9 | -37.5 | 175.8 | -70 | 172.4 | 0 | 0 | 0 | 111.4 | L410 L412 | L410-L415 HydrophobicContact CD2-CD1 4.16Å; L410-L415 HydrophobicContact CD2-CD2 3.96Å; L410-L415 HydrophobicContact CD2-CG 4.12Å; L412-L415 HydrophobicContact CD2-CD1 3.78Å; L412-L415 WeakPolarHBondContact O-CB 3.07Å; L412-L415 PolarHBondContact O-N 3.26Å |
| 416 | H | 62.3 | Low | 70.1 | Confident | 11 Ų | 11 | 87.4 Ų | 87.4 | 5% | 0.051 | 50% | 0.499 | C | S | . | . | trans | -169 | 139.9 | 164 | 42.9 | 73.8 | 0 | 0 | 0 | 113.2 | S413 S414 N418 W419 F438 | S413-H416 CarbonylContact O-C 3.49Å; S414-H416 VanDerWaalsContact C-N 3.34Å; H416-N418 HydrophobicContact CB-CB 4.29Å; H416-N418 PolarHBondContact O-N 2.98Å; H416-W419 AromaticContact CE1-CD1 3.67Å; H416-W419 AromaticContact CE1-CD2 3.23Å; H416-W419 AromaticContact CE1-CE2 3.08Å; H416-W419 AromaticContact CE1-CE3 3.74Å; H416-W419 AromaticContact CE1-CG 3.61Å; H416-W419 AromaticContact CE1-CH2 3.92Å; H416-W419 AromaticContact CE1-CZ2 3.46Å; H416-W419 VanDerWaalsContact CE1-CZ2 3.46Å; H416-W419 WeakPolarHBondContact CE1-CZ2 2.98Å; H416-W419 AromaticContact CE1-NE1 3.37Å; H416-W419 PolarHBondContact CE1-NE1 3.29Å; H416-W419 AromaticContact ND1-CD1 3.38Å; H416-W419 AromaticContact ND1-CD2 3.71Å; H416-W419 AromaticContact ND1-CE2 3.65Å; H416-W419 AromaticContact ND1-CG 3.54Å; H416-W419 PolarHBondContact ND1-N 2.81Å; H416-W419 AromaticContact ND1-NE1 3.44Å; H416-W419 PolarHBondContact ND1-NE1 2.9Å; H416-W419 AromaticContact NE2-CE2 3.73Å; H416-W419 AromaticContact NE2-CZ2 3.69Å; H416-W419 PolarHBondContact O-N 3.34Å; H416-F438 AromaticContact CD2-CE2 3.68Å; H416-F438 AromaticContact CE1-CE2 3.45Å; H416-F438 VanDerWaalsContact CE1-CE2 3.45Å; H416-F438 WeakPolarHBondContact CE1-CE2 3.28Å; H416-F438 AromaticContact CE1-CZ 3.76Å; H416-F438 AromaticContact CG-CE2 3.77Å; H416-F438 AromaticContact ND1-CE2 3.66Å; H416-F438 AromaticContact NE2-CE2 3.48Å; H416-F438 WeakPolarHBondContact NE2-CE2 3.44Å; H416-F438 AromaticContact NE2-CZ 3.95Å | ||
| 417 | S | 57.5 | Low | 70.1 | Confident | 69 Ų | 69 | 85 Ų | 85 | 48% | 0.483 | 49% | 0.489 | S | S | . | . | G | 310 helix | trans | -50 | -28.1 | 164 | 44 | 0 | 0 | 0 | 0 | 113.5 | W419 Q420 | S417-W419 PolarHBondContact O-N 2.99Å; S417-W419 VanDerWaalsContact O-N 3.11Å; S417-Q420 PolarHBondContact O-N 3.1Å |
| 418 | N | 56.1 | Low | 70.2 | Confident | 60 Ų | 60 | 85.7 Ų | 85.7 | 32% | 0.321 | 49% | 0.49 | S | S | . | . | G | 310 helix | trans | -74.9 | -0.7 | -167.4 | -56.6 | -1.7 | 0 | 0 | 0 | 113.9 | H416 Q420 T421 F438 | H416-N418 HydrophobicContact CB-CB 4.29Å; H416-N418 PolarHBondContact O-N 2.98Å; N418-Q420 PolarHBondContact O-N 3.11Å; N418-T421 WeakPolarHBondContact O-CB 3.36Å; N418-T421 PolarHBondContact O-N 2.98Å; N418-T421 PolarHBondContact O-OG1 3.37Å; N418-F438 HydrophobicContact CB-CD2 4.08Å; N418-F438 HydrophobicContact CB-CE2 3.66Å; N418-F438 HydrophobicContact CB-CZ 4.4Å |
| 419 | W | 60.8 | Low | 70.2 | Confident | 134 Ų | 134 | 87.3 Ų | 87.3 | 51% | 0.508 | 49% | 0.491 | S | S | . | . | G | 310 helix | trans | -59.8 | -21.5 | 164.2 | -67.9 | 117.1 | 0 | 0 | 0 | 112.3 | L412 H416 S417 L425 | L412-W419 VanDerWaalsContact O-CD1 3.3Å; L412-W419 PolarHBondContact O-NE1 3.31Å; H416-W419 AromaticContact CE1-CD1 3.67Å; H416-W419 AromaticContact CE1-CD2 3.23Å; H416-W419 AromaticContact CE1-CE2 3.08Å; H416-W419 AromaticContact CE1-CE3 3.74Å; H416-W419 AromaticContact CE1-CG 3.61Å; H416-W419 AromaticContact CE1-CH2 3.92Å; H416-W419 AromaticContact CE1-CZ2 3.46Å; H416-W419 VanDerWaalsContact CE1-CZ2 3.46Å; H416-W419 WeakPolarHBondContact CE1-CZ2 2.98Å; H416-W419 AromaticContact CE1-NE1 3.37Å; H416-W419 PolarHBondContact CE1-NE1 3.29Å; H416-W419 AromaticContact ND1-CD1 3.38Å; H416-W419 AromaticContact ND1-CD2 3.71Å; H416-W419 AromaticContact ND1-CE2 3.65Å; H416-W419 AromaticContact ND1-CG 3.54Å; H416-W419 PolarHBondContact ND1-N 2.81Å; H416-W419 AromaticContact ND1-NE1 3.44Å; H416-W419 PolarHBondContact ND1-NE1 2.9Å; H416-W419 AromaticContact NE2-CE2 3.73Å; H416-W419 AromaticContact NE2-CZ2 3.69Å; H416-W419 PolarHBondContact O-N 3.34Å; S417-W419 PolarHBondContact O-N 2.99Å; S417-W419 VanDerWaalsContact O-N 3.11Å; W419-L425 HydrophobicContact CE3-CD1 3.8Å; W419-L425 HydrophobicContact CZ3-CD1 4.06Å |
| 420 | Q | 56.7 | Low | 70.1 | Confident | 176 Ų | 176 | 88.9 Ų | 88.9 | 82% | 0.822 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -85.4 | -6 | 179.8 | -59.6 | -176.5 | -0.3 | 0 | 0 | 113.5 | S417 N418 P422 | S417-Q420 PolarHBondContact O-N 3.1Å; N418-Q420 PolarHBondContact O-N 3.11Å; Q420-P422 WeakPolarHBondContact O-CD 3.45Å |
| 421 | T | 62.6 | Low | 70 | Confident | 79 Ų | 79 | 86.1 Ų | 86.1 | 49% | 0.485 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -73.3 | 117.9 | 178.8 | -55.1 | 0 | 0 | 0 | 0 | 110 | N418 G423 | N418-T421 WeakPolarHBondContact O-CB 3.36Å; N418-T421 PolarHBondContact O-N 2.98Å; N418-T421 PolarHBondContact O-OG1 3.37Å; T421-G423 PolarHBondContact O-N 2.86Å; T421-G423 VanDerWaalsContact O-N 3.14Å |
| 422 | P | 66 | Low | 69.9 | Low | 135 Ų | 135 | 86.6 Ų | 86.6 | 88% | 0.877 | 49% | 0.489 | S | S | * | . | trans | -73.1 | 108.3 | 179.9 | 29.2 | -33.5 | 0 | 0 | 0 | 110.6 | Q420 | Q420-P422 WeakPolarHBondContact O-CD 3.45Š| ||
| 423 | G | 72 | Confident | 69.9 | Low | 60 Ų | 60 | 89.2 Ų | 89.2 | 62% | 0.619 | 50% | 0.503 | S | S | * | . | S | Bend | trans | 167.9 | -179.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | T421 L425 | T421-G423 PolarHBondContact O-N 2.86Å; T421-G423 VanDerWaalsContact O-N 3.14Å; G423-L425 PolarHBondContact O-N 2.96Å; G423-L425 VanDerWaalsContact O-N 3.12Å |
| 424 | E | 75.2 | Confident | 69.4 | Low | 139 Ų | 139 | 89.7 Ų | 89.7 | 65% | 0.65 | 50% | 0.496 | S | S | * | . | trans | -82.8 | 85.9 | 178.3 | -65.1 | -168.2 | 158.1 | 0 | 0 | 111.1 | H426 T427 | E424-H426 PolarHBondContact O-N 3.27Å; E424-H426 IonicContact OE2-CE1 2.6Å; E424-H426 PolarHBondContact OE2-CE1 3.24Å; E424-T427 HydrophobicContact CB-CG2 4.25Å; E424-T427 PolarHBondContact O-N 3.24Å; E424-T427 PolarHBondContact O-OG1 2.97Å | ||
| 425 | L | 76.6 | Confident | 69.2 | Low | 47 Ų | 47 | 91.4 Ų | 91.4 | 25% | 0.246 | 50% | 0.5 | C | S | . | . | G | 310 helix | trans | -51.1 | -26.3 | -176.4 | -61.5 | -178.7 | 0 | 0 | 0 | 114.5 | W419 G423 T427 T428 F429 F438 | W419-L425 HydrophobicContact CE3-CD1 3.8Å; W419-L425 HydrophobicContact CZ3-CD1 4.06Å; G423-L425 PolarHBondContact O-N 2.96Å; G423-L425 VanDerWaalsContact O-N 3.12Å; L425-T427 PolarHBondContact O-N 3.28Å; L425-T428 PolarHBondContact O-N 3.46Å; L425-F429 PolarHBondContact O-N 3.28Å; L425-F438 HydrophobicContact CB-CE1 4.07Å; L425-F438 HydrophobicContact CB-CZ 4.41Å; L425-F438 HydrophobicContact CD1-CZ 4.39Å; L425-F438 HydrophobicContact CD2-CE1 4.02Å; L425-F438 HydrophobicContact CD2-CZ 3.97Å; L425-F438 HydrophobicContact CG-CZ 4.48Å |
| 426 | H | 79.7 | Confident | 69.1 | Low | 137 Ų | 137 | 89.7 Ų | 89.7 | 63% | 0.634 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -64.3 | -22.6 | 179.4 | 83.8 | -93.8 | 0 | 0 | 0 | 113.6 | E424 | E424-H426 PolarHBondContact O-N 3.27Å; E424-H426 IonicContact OE2-CE1 2.6Å; E424-H426 PolarHBondContact OE2-CE1 3.24Å |
| 427 | T | 76.3 | Confident | 69 | Low | 81 Ų | 81 | 90.6 Ų | 90.6 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -75.3 | -25.2 | 179.5 | 59.4 | 0 | 0 | 0 | 0 | 113.5 | E424 L425 M444 | E424-T427 HydrophobicContact CB-CG2 4.25Å; E424-T427 PolarHBondContact O-N 3.24Å; E424-T427 PolarHBondContact O-OG1 2.97Å; L425-T427 PolarHBondContact O-N 3.28Å; T427-M444 WeakPolarHBondContact O-CE 3.42Å |
| 428 | T | 75.4 | Confident | 69.3 | Low | 50 Ų | 50 | 88.4 Ų | 88.4 | 31% | 0.307 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -5.2 | 177.9 | -42 | 0 | 0 | 0 | 0 | 111.9 | L425 V430 F438 G439 M444 | L425-T428 PolarHBondContact O-N 3.46Å; T428-V430 PolarHBondContact O-N 3.4Å; T428-F438 HydrophobicContact CG2-CB 4.12Å; T428-F438 HydrophobicContact CG2-CD1 4.05Å; T428-F438 WeakPolarHBondContact O-CA 3.49Å; T428-G439 PolarHBondContact O-N 2.88Å; T428-M444 HydrophobicContact CG2-CE 4.44Å; T428-M444 HydrophobicContact CG2-SD 3.85Å |
| 429 | F | 78 | Confident | 69.7 | Low | 102 Ų | 102 | 86 Ų | 86 | 45% | 0.447 | 47% | 0.473 | S | S | . | . | B | Isolated β-bridge | trans | -76.4 | 113.6 | -176.7 | -175 | -85.2 | 0 | 0 | 0 | 111.1 | L425 P432 C437 | L425-F429 PolarHBondContact O-N 3.28Å; F429-P432 HydrophobicContact CZ-CB 4.08Å; F429-C437 CarbonylContact C-O 3.55Å; F429-C437 WeakPolarHBondContact CA-O 3.34Å; F429-C437 HydrophobicContact CD2-CB 3.78Å; F429-C437 HydrophobicContact CE2-CB 3.59Å; F429-C437 HydrophobicContact CZ-CB 4.48Å |
| 430 | V | 77 | Confident | 70.3 | Confident | 69 Ų | 69 | 82.9 Ų | 82.9 | 42% | 0.418 | 46% | 0.461 | S | S | . | . | trans | -96.6 | -44.9 | -176.9 | 167.3 | 0 | 0 | 0 | 0 | 112.6 | T428 C437 G439 | T428-V430 PolarHBondContact O-N 3.4Å; V430-C437 PolarHBondContact N-O 3.13Å; V430-G439 VanDerWaalsContact CG2-CA 3.42Å | ||
| 431 | S | 77.4 | Confident | 71.3 | Confident | 27 Ų | 27 | 79.3 Ų | 79.3 | 19% | 0.189 | 45% | 0.453 | C | S | . | . | trans | -157.9 | 138.9 | -175.1 | -178.1 | 0 | 0 | 0 | 0 | 113.6 | L433 | S431-L433 PolarHBondContact O-N 3.32Å; S431-L433 PolarHBondContact OG-N 2.82Å; S431-L433 VanDerWaalsContact OG-N 3.13Å | ||
| 432 | P | 76.1 | Confident | 72 | Confident | 104 Ų | 104 | 79.3 Ų | 79.3 | 68% | 0.675 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -0.4 | 170.4 | 33.5 | -35.9 | 0 | 0 | 0 | 113.6 | F429 | F429-P432 HydrophobicContact CZ-CB 4.08Š|
| 433 | L | 75.8 | Confident | 72.6 | Confident | 160 Ų | 160 | 75.6 Ų | 75.6 | 84% | 0.838 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | 4.8 | -178.5 | -59.4 | 179.3 | 0 | 0 | 0 | 113.5 | S431 | S431-L433 PolarHBondContact O-N 3.32Å; S431-L433 PolarHBondContact OG-N 2.82Å; S431-L433 VanDerWaalsContact OG-N 3.13Å |
| 434 | Q | 64.1 | Low | 72.9 | Confident | 90 Ų | 90 | 76.1 Ų | 76.1 | 42% | 0.421 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -102.5 | 136.6 | 177.2 | -73.6 | 173.2 | -30.3 | 0 | 0 | 110.5 | S436 C437 | Q434-S436 WeakPolarHBondContact CB-O 3.45Å; Q434-S436 CarbonylContact O-C 3.58Å; Q434-S436 VanDerWaalsContact O-C 3.3Å; Q434-S436 PolarHBondContact O-N 2.87Å; Q434-S436 VanDerWaalsContact O-N 3.1Å; Q434-C437 PolarHBondContact O-N 2.83Å |
| 435 | D | 62.4 | Low | 73.2 | Confident | 112 Ų | 112 | 77.7 Ų | 77.7 | 60% | 0.599 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -53.5 | -30.6 | 176.2 | -65.3 | 15.8 | 0 | 0 | 0 | 113.1 | R484 | D435-R484 IonicContact OD2-CZ 3.44Å; D435-R484 IonicContact OD2-NH1 3.18Å; D435-R484 PolarHBondContact OD2-NH1 3.47Å; D435-R484 IonicContact OD2-NH2 3.09Å; D435-R484 PolarHBondContact OD2-NH2 3.16Å |
| 436 | S | 63.3 | Low | 73.6 | Confident | 42 Ų | 42 | 84.1 Ų | 84.1 | 29% | 0.294 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -107.3 | 111.7 | 158.9 | 171.9 | 0 | 0 | 0 | 0 | 107.8 | Q434 F438 | Q434-S436 WeakPolarHBondContact CB-O 3.45Å; Q434-S436 CarbonylContact O-C 3.58Å; Q434-S436 VanDerWaalsContact O-C 3.3Å; Q434-S436 PolarHBondContact O-N 2.87Å; Q434-S436 VanDerWaalsContact O-N 3.1Å; S436-F438 PolarHBondContact O-N 3.11Å; S436-F438 VanDerWaalsContact O-N 3.14Å; S436-F438 PolarHBondContact OG-N 3.44Å; S436-F438 PolarHBondContact OG-O 3.47Å |
| 437 | C | 59.4 | Low | 74.1 | Confident | 30 Ų | 30 | 82.9 Ų | 82.9 | 20% | 0.203 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -62.4 | -16.6 | 172.9 | -59.1 | 0 | 0 | 0 | 0 | 113 | F429 V430 Q434 | F429-C437 CarbonylContact C-O 3.55Å; F429-C437 WeakPolarHBondContact CA-O 3.34Å; F429-C437 HydrophobicContact CD2-CB 3.78Å; F429-C437 HydrophobicContact CE2-CB 3.59Å; F429-C437 HydrophobicContact CZ-CB 4.48Å; V430-C437 PolarHBondContact N-O 3.13Å; Q434-C437 PolarHBondContact O-N 2.83Å |
| 438 | F | 63.8 | Low | 74.8 | Confident | 22 Ų | 22 | 82 Ų | 82 | 10% | 0.096 | 44% | 0.441 | C | S | . | . | B | Isolated β-bridge | trans | -91.8 | 130.9 | 179.5 | -59.1 | -67.1 | 0 | 0 | 0 | 111.7 | H416 N418 L425 T428 S436 | H416-F438 AromaticContact CD2-CE2 3.68Å; H416-F438 AromaticContact CE1-CE2 3.45Å; H416-F438 VanDerWaalsContact CE1-CE2 3.45Å; H416-F438 WeakPolarHBondContact CE1-CE2 3.28Å; H416-F438 AromaticContact CE1-CZ 3.76Å; H416-F438 AromaticContact CG-CE2 3.77Å; H416-F438 AromaticContact ND1-CE2 3.66Å; H416-F438 AromaticContact NE2-CE2 3.48Å; H416-F438 WeakPolarHBondContact NE2-CE2 3.44Å; H416-F438 AromaticContact NE2-CZ 3.95Å; N418-F438 HydrophobicContact CB-CD2 4.08Å; N418-F438 HydrophobicContact CB-CE2 3.66Å; N418-F438 HydrophobicContact CB-CZ 4.4Å; L425-F438 HydrophobicContact CB-CE1 4.07Å; L425-F438 HydrophobicContact CB-CZ 4.41Å; L425-F438 HydrophobicContact CD1-CZ 4.39Å; L425-F438 HydrophobicContact CD2-CE1 4.02Å; L425-F438 HydrophobicContact CD2-CZ 3.97Å; L425-F438 HydrophobicContact CG-CZ 4.48Å; T428-F438 HydrophobicContact CG2-CB 4.12Å; T428-F438 HydrophobicContact CG2-CD1 4.05Å; T428-F438 WeakPolarHBondContact O-CA 3.49Å; S436-F438 PolarHBondContact O-N 3.11Å; S436-F438 VanDerWaalsContact O-N 3.14Å; S436-F438 PolarHBondContact OG-N 3.44Å; S436-F438 PolarHBondContact OG-O 3.47Å |
| 439 | G | 65.2 | Low | 75.6 | Confident | 11 Ų | 11 | 82.4 Ų | 82.4 | 11% | 0.113 | 45% | 0.445 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 151.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T428 V430 | T428-G439 PolarHBondContact O-N 2.88Å; V430-G439 VanDerWaalsContact CG2-CA 3.42Å |
| 440 | R | 74.4 | Confident | 76.2 | Confident | 68 Ų | 68 | 82.2 Ų | 82.2 | 26% | 0.257 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -82 | 157 | 168 | -52.2 | 163.8 | -64.7 | 175.8 | 3.2 | 108.3 | Q442 D443 N481 E485 | R440-Q442 VanDerWaalsContact CB-OE1 3.26Å; R440-Q442 PolarHBondContact O-N 2.8Å; R440-D443 VanDerWaalsContact CB-OD2 3.24Å; R440-D443 WeakPolarHBondContact CB-OD2 3.24Å; R440-D443 WeakPolarHBondContact CG-OD2 3.34Å; R440-D443 IonicContact CZ-OD1 3.63Å; R440-D443 IonicContact CZ-OD2 2.75Å; R440-D443 PolarHBondContact N-OD2 3.09Å; R440-D443 IonicContact NE-OD1 2.71Å; R440-D443 PolarHBondContact NE-OD1 2.87Å; R440-D443 IonicContact NE-OD2 2.76Å; R440-D443 PolarHBondContact NE-OD2 2.96Å; R440-D443 IonicContact NH2-OD1 3.35Å; R440-D443 PolarHBondContact NH2-OD1 2.76Å; R440-D443 IonicContact NH2-OD2 2.87Å; R440-D443 PolarHBondContact NH2-OD2 3.18Å; R440-D443 WeakPolarHBondContact O-CB 3.45Å; R440-D443 PolarHBondContact O-N 2.75Å; R440-N481 VanDerWaalsContact CD-O 3.29Å; R440-N481 WeakPolarHBondContact CD-O 3.29Å; R440-N481 PolarHBondContact NH1-O 3.05Å; R440-E485 IonicContact CZ-OE1 3.52Å; R440-E485 IonicContact NH1-OE1 2.76Å; R440-E485 PolarHBondContact NH1-OE1 3.22Å; R440-E485 IonicContact NH2-OE1 3.46Å; R440-E485 PolarHBondContact NH2-OE1 2.7Å |
| 441 | P | 76.5 | Confident | 76.9 | Confident | 100 Ų | 100 | 85.4 Ų | 85.4 | 65% | 0.649 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -27.4 | -175.9 | -27.6 | 36.4 | 0 | 0 | 0 | 115 | ||
| 442 | Q | 78.6 | Confident | 77.5 | Confident | 79 Ų | 79 | 92.1 Ų | 92.1 | 37% | 0.369 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -13.6 | 175.4 | 73 | -82.9 | 15.4 | 0 | 0 | 114.9 | R440 N481 | R440-Q442 VanDerWaalsContact CB-OE1 3.26Å; R440-Q442 PolarHBondContact O-N 2.8Å; Q442-N481 PolarHBondContact NE2-O 3.37Å |
| 443 | D | 77.1 | Confident | 78.1 | Confident | 57 Ų | 57 | 91.8 Ų | 91.8 | 31% | 0.305 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -8.7 | 176.5 | -50 | -42.4 | 0 | 0 | 0 | 112.2 | R440 | R440-D443 VanDerWaalsContact CB-OD2 3.24Å; R440-D443 WeakPolarHBondContact CB-OD2 3.24Å; R440-D443 WeakPolarHBondContact CG-OD2 3.34Å; R440-D443 IonicContact CZ-OD1 3.63Å; R440-D443 IonicContact CZ-OD2 2.75Å; R440-D443 PolarHBondContact N-OD2 3.09Å; R440-D443 IonicContact NE-OD1 2.71Å; R440-D443 PolarHBondContact NE-OD1 2.87Å; R440-D443 IonicContact NE-OD2 2.76Å; R440-D443 PolarHBondContact NE-OD2 2.96Å; R440-D443 IonicContact NH2-OD1 3.35Å; R440-D443 PolarHBondContact NH2-OD1 2.76Å; R440-D443 IonicContact NH2-OD2 2.87Å; R440-D443 PolarHBondContact NH2-OD2 3.18Å; R440-D443 WeakPolarHBondContact O-CB 3.45Å; R440-D443 PolarHBondContact O-N 2.75Å |
| 444 | M | 79.3 | Confident | 78.6 | Confident | 71 Ų | 71 | 88.5 Ų | 88.5 | 35% | 0.35 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -104.2 | 124.2 | -173 | -66.9 | -176.4 | 65.3 | 0 | 0 | 111.4 | T427 T428 Y446 | T427-M444 WeakPolarHBondContact O-CE 3.42Å; T428-M444 HydrophobicContact CG2-CE 4.44Å; T428-M444 HydrophobicContact CG2-SD 3.85Å; M444-Y446 PolarHBondContact O-N 2.86Å |
| 445 | D | 81.7 | Confident | 79.4 | Confident | 173 Ų | 173 | 89.2 Ų | 89.2 | 93% | 0.925 | 46% | 0.46 | S | S | * | . | trans | -63.7 | 128.8 | 169.8 | -74.7 | -49.6 | 0 | 0 | 0 | 110.7 | ||||
| 446 | Y | 85 | Confident | 80.1 | Confident | 182 Ų | 182 | 90.7 Ų | 90.7 | 71% | 0.714 | 46% | 0.463 | S | S | * | . | trans | -129.3 | 139.3 | 175.4 | -170.2 | -89.8 | 0 | 0 | 0 | 110.3 | M444 V448 | M444-Y446 PolarHBondContact O-N 2.86Å; Y446-V448 VanDerWaalsContact C-N 3.27Å; Y446-V448 HydrophobicContact CD1-CG1 4.13Å; Y446-V448 PolarHBondContact O-N 3.35Å | ||
| 447 | P | 89 | Confident | 80.9 | Confident | 111 Ų | 111 | 94.1 Ų | 94.1 | 72% | 0.721 | 48% | 0.477 | S | S | * | . | trans | -71.8 | 79.7 | 178 | 30.6 | -36.2 | 0 | 0 | 0 | 111.4 | ||||
| 448 | V | 90.5 | Very high | 82 | Confident | 63 Ų | 63 | 94.9 Ų | 94.9 | 38% | 0.382 | 48% | 0.481 | S | S | . | . | trans | -73.6 | 148.4 | 173.5 | -65.1 | 0 | 0 | 0 | 0 | 111.6 | Y446 Y452 L453 | Y446-V448 VanDerWaalsContact C-N 3.27Å; Y446-V448 HydrophobicContact CD1-CG1 4.13Å; Y446-V448 PolarHBondContact O-N 3.35Å; V448-Y452 HydrophobicContact CB-CD2 4.25Å; V448-L453 HydrophobicContact CG2-CD2 3.59Å; V448-L453 HydrophobicContact CG2-CG 4.25Å | ||
| 449 | P | 93.5 | Very high | 82.3 | Confident | 58 Ų | 58 | 97.4 Ų | 97.4 | 38% | 0.377 | 50% | 0.498 | S | S | . | . | trans | -53.3 | 140.6 | 168.5 | -26.2 | 34.4 | 0 | 0 | 0 | 112.1 | E451 Y452 | P449-E451 WeakPolarHBondContact CB-OE2 3.37Å; P449-E451 PolarHBondContact O-N 3.01Å; P449-Y452 HydrophobicContact CG-CD2 4.27Å; P449-Y452 HydrophobicContact CG-CE2 4.04Å; P449-Y452 PolarHBondContact O-N 3.06Å | ||
| 450 | P | 90.1 | Very high | 82.7 | Confident | 98 Ų | 98 | 104.6 Ų | 104.6 | 64% | 0.636 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -55.1 | -28.2 | -178.1 | -27.2 | 35.7 | 0 | 0 | 0 | 114.3 | Y452 L453 | P450-Y452 PolarHBondContact O-N 3.17Å; P450-L453 WeakPolarHBondContact O-CB 3.38Å; P450-L453 PolarHBondContact O-N 3.26Å |
| 451 | E | 91.1 | Very high | 82.7 | Confident | 136 Ų | 136 | 111.7 Ų | 111.7 | 64% | 0.636 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -61.6 | -21.1 | 177.9 | -60 | 71.8 | -156.8 | 0 | 0 | 112.8 | P449 I454 | P449-E451 WeakPolarHBondContact CB-OE2 3.37Å; P449-E451 PolarHBondContact O-N 3.01Å; E451-I454 WeakPolarHBondContact O-CG2 3.46Å |
| 452 | Y | 91.2 | Very high | 82.5 | Confident | 167 Ų | 167 | 112.8 Ų | 112.8 | 66% | 0.655 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -89.4 | -10.7 | 176.8 | -60.5 | -16.3 | 0 | 0 | 0 | 113.3 | V448 P449 P450 I454 | V448-Y452 HydrophobicContact CB-CD2 4.25Å; P449-Y452 HydrophobicContact CG-CD2 4.27Å; P449-Y452 HydrophobicContact CG-CE2 4.04Å; P449-Y452 PolarHBondContact O-N 3.06Å; P450-Y452 PolarHBondContact O-N 3.17Å; Y452-I454 PolarHBondContact O-N 2.74Å |
| 453 | L | 87.7 | Confident | 82.2 | Confident | 98 Ų | 98 | 113.9 Ų | 113.9 | 51% | 0.513 | 57% | 0.574 | S | S | . | * | trans | -77.3 | 28.2 | -178.6 | -59.6 | 178.1 | 0 | 0 | 0 | 113.5 | V448 P450 R455 H456 | V448-L453 HydrophobicContact CG2-CD2 3.59Å; V448-L453 HydrophobicContact CG2-CG 4.25Å; P450-L453 WeakPolarHBondContact O-CB 3.38Å; P450-L453 PolarHBondContact O-N 3.26Å; L453-R455 PolarHBondContact O-N 2.94Å; L453-H456 PolarHBondContact O-CE1 2.97Å; L453-H456 PolarHBondContact O-ND1 3.07Å | ||
| 454 | I | 87.2 | Confident | 81.9 | Confident | 90 Ų | 90 | 114.3 Ų | 114.3 | 46% | 0.462 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.9 | -14.1 | -166.9 | 65.3 | 173.4 | 0 | 0 | 0 | 115.5 | E451 Y452 H456 L457 V458 | E451-I454 WeakPolarHBondContact O-CG2 3.46Å; Y452-I454 PolarHBondContact O-N 2.74Å; I454-H456 PolarHBondContact O-N 3.01Å; I454-H456 VanDerWaalsContact O-N 3.12Å; I454-L457 WeakPolarHBondContact O-CA 3.18Å; I454-L457 WeakPolarHBondContact O-CB 3.41Å; I454-L457 PolarHBondContact O-N 2.93Å; I454-V458 HydrophobicContact CB-CG1 4.44Å; I454-V458 HydrophobicContact CG1-CG2 4.5Å; I454-V458 PolarHBondContact O-N 2.93Å; I454-V458 VanDerWaalsContact O-N 3.12Å |
| 455 | R | 79.7 | Confident | 81.6 | Confident | 105 Ų | 105 | 113.7 Ų | 113.7 | 40% | 0.396 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -49.7 | -43.9 | -174.5 | -166.9 | -179 | -168.7 | -177 | 9.1 | 112.3 | L453 L457 V458 T459 | L453-R455 PolarHBondContact O-N 2.94Å; R455-L457 VanDerWaalsContact C-N 3.26Å; R455-L457 PolarHBondContact O-N 2.88Å; R455-V458 PolarHBondContact O-N 3.4Å; R455-T459 WeakPolarHBondContact O-CB 3.29Å; R455-T459 PolarHBondContact O-N 2.96Å; R455-T459 PolarHBondContact O-OG1 3.4Å |
| 456 | H | 78.4 | Confident | 81.5 | Confident | 143 Ų | 143 | 106.7 Ų | 106.7 | 66% | 0.662 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.6 | -19 | 180 | 73.9 | -81.4 | 0 | 0 | 0 | 114.2 | L453 I454 | L453-H456 PolarHBondContact O-CE1 2.97Å; L453-H456 PolarHBondContact O-ND1 3.07Å; I454-H456 PolarHBondContact O-N 3.01Å; I454-H456 VanDerWaalsContact O-N 3.12Å |
| 457 | L | 79.1 | Confident | 81.3 | Confident | 115 Ų | 115 | 98.1 Ų | 98.1 | 60% | 0.602 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -91.2 | -23.4 | 176.4 | -55.7 | 175.2 | 0 | 0 | 0 | 112.8 | I454 R455 | I454-L457 WeakPolarHBondContact O-CA 3.18Å; I454-L457 WeakPolarHBondContact O-CB 3.41Å; I454-L457 PolarHBondContact O-N 2.93Å; R455-L457 VanDerWaalsContact C-N 3.26Å; R455-L457 PolarHBondContact O-N 2.88Å |
| 458 | V | 82.3 | Confident | 81 | Confident | 46 Ų | 46 | 97.6 Ų | 97.6 | 28% | 0.279 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -114.2 | -11.4 | -172.2 | -52.8 | 0 | 0 | 0 | 0 | 115.1 | I454 R455 D460 R461 L462 | I454-V458 HydrophobicContact CB-CG1 4.44Å; I454-V458 HydrophobicContact CG1-CG2 4.5Å; I454-V458 PolarHBondContact O-N 2.93Å; I454-V458 VanDerWaalsContact O-N 3.12Å; R455-V458 PolarHBondContact O-N 3.4Å; V458-D460 VanDerWaalsContact C-N 3.25Å; V458-D460 PolarHBondContact O-N 2.94Å; V458-D460 VanDerWaalsContact O-N 3.15Å; V458-R461 CarbonylContact O-C 3.57Å; V458-R461 WeakPolarHBondContact O-CA 3.35Å; V458-R461 PolarHBondContact O-N 3.08Å; V458-L462 HydrophobicContact CB-CB 4.36Å; V458-L462 PolarHBondContact O-N 2.99Å |
| 459 | T | 70.3 | Confident | 80.8 | Confident | 74 Ų | 74 | 101.6 Ų | 101.6 | 45% | 0.454 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -39.5 | -175.5 | -66.9 | 0 | 0 | 0 | 0 | 113.1 | R455 R461 | R455-T459 WeakPolarHBondContact O-CB 3.29Å; R455-T459 PolarHBondContact O-N 2.96Å; R455-T459 PolarHBondContact O-OG1 3.4Å; T459-R461 VanDerWaalsContact C-N 3.3Å; T459-R461 PolarHBondContact O-N 3.41Å |
| 460 | D | 73.9 | Confident | 80.7 | Confident | 163 Ų | 163 | 100.3 Ų | 100.3 | 87% | 0.872 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -10.1 | 179.1 | -57.3 | -26.9 | 0 | 0 | 0 | 113.9 | V458 | V458-D460 VanDerWaalsContact C-N 3.25Å; V458-D460 PolarHBondContact O-N 2.94Å; V458-D460 VanDerWaalsContact O-N 3.15Å |
| 461 | R | 74.3 | Confident | 80.8 | Confident | 216 Ų | 216 | 98.3 Ų | 98.3 | 82% | 0.815 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.8 | -22.5 | -172.7 | -61.7 | -174.5 | -179.7 | -160.7 | 0.8 | 113.8 | V458 T459 | V458-R461 CarbonylContact O-C 3.57Å; V458-R461 WeakPolarHBondContact O-CA 3.35Å; V458-R461 PolarHBondContact O-N 3.08Å; T459-R461 VanDerWaalsContact C-N 3.3Å; T459-R461 PolarHBondContact O-N 3.41Å |
| 462 | L | 72.2 | Confident | 81 | Confident | 124 Ų | 124 | 94.7 Ų | 94.7 | 65% | 0.649 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -134 | 85 | -177.4 | -173 | 67.4 | 0 | 0 | 0 | 108.9 | V458 | V458-L462 HydrophobicContact CB-CB 4.36Å; V458-L462 PolarHBondContact O-N 2.99Å |
| 463 | P | 72.4 | Confident | 81.1 | Confident | 101 Ų | 101 | 92.4 Ų | 92.4 | 66% | 0.656 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 149.2 | 172 | -21.7 | 33.6 | 0 | 0 | 0 | 111.4 | ||
| 464 | D | 70.6 | Confident | 81.4 | Confident | 67 Ų | 67 | 90.4 Ų | 90.4 | 36% | 0.358 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 123.1 | 177.6 | -55.5 | -67.6 | 0 | 0 | 0 | 110.3 | T564 L565 | D464-T564 WeakPolarHBondContact CB-O 3.31Å; D464-T564 WeakPolarHBondContact OD2-CA 3.25Å; D464-T564 WeakPolarHBondContact OD2-CB 3.48Å; D464-L565 HydrophobicContact CB-CD2 4.47Å |
| 465 | P | 74.1 | Confident | 81.7 | Confident | 58 Ų | 58 | 86.1 Ų | 86.1 | 38% | 0.377 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -64 | 142.6 | -170.5 | 24.7 | -34.6 | 0 | 0 | 0 | 111.7 | L470 L565 | P465-L470 HydrophobicContact CB-CD2 4.23Å; P465-L470 HydrophobicContact CG-CD2 3.92Å; P465-L565 WeakPolarHBondContact O-CD2 3.27Å |
| 466 | P | 79.1 | Confident | 82.5 | Confident | 25 Ų | 25 | 81.1 Ų | 81.1 | 16% | 0.162 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 143.9 | 174.6 | 29.5 | -34.7 | 0 | 0 | 0 | 110 | N468 Q469 S566 | P466-N468 WeakPolarHBondContact CB-OD1 3.3Å; P466-N468 WeakPolarHBondContact CG-OD1 3.45Å; P466-N468 PolarHBondContact O-N 3.14Å; P466-Q469 HydrophobicContact CG-CB 4.15Å; P466-Q469 VanDerWaalsContact CG-CD 3.41Å; P466-Q469 HydrophobicContact CG-CG 3.76Å; P466-Q469 PolarHBondContact O-N 2.93Å; P466-S566 WeakPolarHBondContact CA-OG 3.44Å; P466-S566 WeakPolarHBondContact CB-OG 3.4Å |
| 467 | M | 80.6 | Confident | 83.1 | Confident | 3 Ų | 3 | 80.8 Ų | 80.8 | 2% | 0.015 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -53.5 | -31.5 | -175.6 | -162.1 | 63.9 | 70.3 | 0 | 0 | 113.1 | Q469 L470 L475 L478 V490 V491 E494 R498 L565 A567 | M467-Q469 VanDerWaalsContact C-N 3.29Å; M467-Q469 PolarHBondContact O-N 2.84Å; M467-L470 PolarHBondContact O-N 2.86Å; M467-L470 HydrophobicContact SD-CD1 3.74Å; M467-L475 HydrophobicContact CG-CD2 3.79Å; M467-L475 HydrophobicContact SD-CD2 3.44Å; M467-L475 WeakPolarHBondContact SD-CD2 3.19Å; M467-L478 HydrophobicContact SD-CD1 4.15Å; M467-V490 HydrophobicContact CE-CG1 4.03Å; M467-V490 HydrophobicContact CG-CG1 4.4Å; M467-V491 HydrophobicContact CE-CG2 3.76Å; M467-V491 HydrophobicContact SD-CG2 3.56Å; M467-V491 VanDerWaalsContact SD-CG2 3.56Å; M467-E494 HydrophobicContact CG-CB 4Å; M467-E494 HydrophobicContact CG-CG 4.09Å; M467-R498 PolarHBondContact O-NH2 3.32Å; M467-L565 HydrophobicContact CE-CD1 3.93Å; M467-A567 HydrophobicContact CB-CB 4.01Å |
| 468 | N | 83.3 | Confident | 83.7 | Confident | 100 Ų | 100 | 76.5 Ų | 76.5 | 54% | 0.535 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -74 | -10.7 | 179.7 | 71.3 | -13.5 | 0 | 0 | 0 | 115.3 | P466 E494 R498 | P466-N468 WeakPolarHBondContact CB-OD1 3.3Å; P466-N468 WeakPolarHBondContact CG-OD1 3.45Å; P466-N468 PolarHBondContact O-N 3.14Å; N468-E494 WeakPolarHBondContact CA-OE1 3.45Å; N468-R498 PolarHBondContact O-NH2 3.41Å; N468-R498 VanDerWaalsContact O-NH2 3.16Å |
| 469 | Q | 86.7 | Confident | 84.2 | Confident | 147 Ų | 147 | 75 Ų | 75 | 69% | 0.687 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -95.6 | -10.7 | 174.2 | -71.5 | 176.2 | 14.9 | 0 | 0 | 113.2 | P466 M467 | P466-Q469 HydrophobicContact CG-CB 4.15Å; P466-Q469 VanDerWaalsContact CG-CD 3.41Å; P466-Q469 HydrophobicContact CG-CG 3.76Å; P466-Q469 PolarHBondContact O-N 2.93Å; M467-Q469 VanDerWaalsContact C-N 3.29Å; M467-Q469 PolarHBondContact O-N 2.84Å |
| 470 | L | 90.1 | Very high | 85.2 | Confident | 30 Ų | 30 | 73.2 Ų | 73.2 | 16% | 0.157 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -72.9 | 151 | 177.6 | -58.5 | -176.2 | 0 | 0 | 0 | 111.5 | P465 M467 T474 L475 L478 R498 | P465-L470 HydrophobicContact CB-CD2 4.23Å; P465-L470 HydrophobicContact CG-CD2 3.92Å; M467-L470 PolarHBondContact O-N 2.86Å; M467-L470 HydrophobicContact SD-CD1 3.74Å; L470-T474 HydrophobicContact CB-CG2 4.37Å; L470-T474 HydrophobicContact CD1-CG2 4.15Å; L470-T474 HydrophobicContact CD2-CG2 4.36Å; L470-L475 HydrophobicContact CB-CD2 4.21Å; L470-L475 HydrophobicContact CB-CG 4.29Å; L470-L475 HydrophobicContact CD1-CD2 4.33Å; L470-L478 HydrophobicContact CD1-CD1 3.77Å; L470-R498 PolarHBondContact O-NH1 3.01Å; L470-R498 PolarHBondContact O-NH2 3.1Å |
| 471 | S | 93.2 | Very high | 85.9 | Confident | 56 Ų | 56 | 67.4 Ų | 67.4 | 39% | 0.392 | 34% | 0.336 | S | S | . | . | trans | -71.5 | 161.2 | 175.4 | 73.8 | 0 | 0 | 0 | 0 | 111.6 | E473 T474 L475 | S471-E473 PolarHBondContact O-N 3.29Å; S471-T474 PolarHBondContact O-N 3.43Å; S471-T474 PolarHBondContact OG-N 2.9Å; S471-T474 VanDerWaalsContact OG-N 3.12Å; S471-T474 PolarHBondContact OG-OG1 2.71Å; S471-T474 VanDerWaalsContact OG-OG1 3.05Å; S471-L475 WeakPolarHBondContact O-CG 3.47Å; S471-L475 PolarHBondContact O-N 3.47Å | ||
| 472 | E | 94.1 | Very high | 86.3 | Confident | 60 Ų | 60 | 57.8 Ų | 57.8 | 28% | 0.28 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -56.3 | -41.8 | 174.5 | -54.5 | -167.7 | 132.4 | 0 | 0 | 111.2 | L475 F476 W500 K539 | E472-L475 WeakPolarHBondContact O-CB 3.34Å; E472-L475 PolarHBondContact O-N 2.81Å; E472-F476 HydrophobicContact CB-CD2 4.38Å; E472-F476 HydrophobicContact CB-CE2 3.87Å; E472-F476 WeakPolarHBondContact O-CD2 3.25Å; E472-F476 WeakPolarHBondContact O-CG 3.43Å; E472-F476 PolarHBondContact O-N 3.14Å; E472-W500 PolarHBondContact OE1-NE1 3.35Å; E472-W500 WeakPolarHBondContact OE2-CZ2 3.44Å; E472-K539 IonicContact OE1-NZ 2.73Å; E472-K539 IonicContact OE2-NZ 3.46Å; E472-K539 PolarHBondContact OE2-NZ 2.87Å |
| 473 | E | 94.6 | Very high | 86.5 | Confident | 119 Ų | 119 | 54 Ų | 54 | 56% | 0.556 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -60.2 | -45.8 | 176.9 | 175.5 | 175.4 | -166 | 0 | 0 | 112.9 | S471 L475 F476 W477 W532 | S471-E473 PolarHBondContact O-N 3.29Å; E473-L475 VanDerWaalsContact C-N 3.32Å; E473-L475 PolarHBondContact O-N 2.83Å; E473-F476 PolarHBondContact O-N 2.86Å; E473-W477 PolarHBondContact O-N 3.14Å; E473-W532 HydrophobicContact CB-CH2 3.97Å; E473-W532 HydrophobicContact CB-CZ3 4.46Å; E473-W532 HydrophobicContact CG-CH2 3.83Å; E473-W532 HydrophobicContact CG-CZ2 4.36Å |
| 474 | T | 93.3 | Very high | 86.5 | Confident | 56 Ų | 56 | 57.5 Ų | 57.5 | 34% | 0.344 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.9 | -37.3 | 175.6 | -53.1 | 0 | 0 | 0 | 0 | 111.5 | L470 S471 W477 L478 | L470-T474 HydrophobicContact CB-CG2 4.37Å; L470-T474 HydrophobicContact CD1-CG2 4.15Å; L470-T474 HydrophobicContact CD2-CG2 4.36Å; S471-T474 PolarHBondContact O-N 3.43Å; S471-T474 PolarHBondContact OG-N 2.9Å; S471-T474 VanDerWaalsContact OG-N 3.12Å; S471-T474 PolarHBondContact OG-OG1 2.71Å; S471-T474 VanDerWaalsContact OG-OG1 3.05Å; T474-W477 PolarHBondContact O-N 2.72Å; T474-L478 HydrophobicContact CG2-CD1 4.4Å; T474-L478 WeakPolarHBondContact O-CG 3.38Å; T474-L478 PolarHBondContact O-N 2.64Å |
| 475 | L | 93.5 | Very high | 87 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.7 | -44.4 | 173.8 | -67.7 | 174.6 | 0 | 0 | 0 | 111.5 | M467 L470 S471 E472 E473 W477 L478 F479 V491 E494 L495 R498 | M467-L475 HydrophobicContact CG-CD2 3.79Å; M467-L475 HydrophobicContact SD-CD2 3.44Å; M467-L475 WeakPolarHBondContact SD-CD2 3.19Å; L470-L475 HydrophobicContact CB-CD2 4.21Å; L470-L475 HydrophobicContact CB-CG 4.29Å; L470-L475 HydrophobicContact CD1-CD2 4.33Å; S471-L475 WeakPolarHBondContact O-CG 3.47Å; S471-L475 PolarHBondContact O-N 3.47Å; E472-L475 WeakPolarHBondContact O-CB 3.34Å; E472-L475 PolarHBondContact O-N 2.81Å; E473-L475 VanDerWaalsContact C-N 3.32Å; E473-L475 PolarHBondContact O-N 2.83Å; L475-W477 PolarHBondContact O-N 2.76Å; L475-L478 PolarHBondContact O-N 3.21Å; L475-F479 WeakPolarHBondContact O-CB 3.4Å; L475-F479 PolarHBondContact O-N 3.5Å; L475-V491 HydrophobicContact CB-CG1 4.05Å; L475-V491 HydrophobicContact CD2-CG1 4.16Å; L475-V491 HydrophobicContact CD2-CG2 4.2Å; L475-V491 WeakPolarHBondContact O-CG1 3.44Å; L475-E494 HydrophobicContact CD1-CB 4.37Å; L475-E494 HydrophobicContact CD1-CG 3.52Å; L475-E494 HydrophobicContact CD2-CB 4.48Å; L475-E494 HydrophobicContact CD2-CG 4.08Å; L475-E494 HydrophobicContact CG-CG 4.48Å; L475-L495 HydrophobicContact CB-CD1 4.42Å; L475-L495 HydrophobicContact CB-CD2 3.82Å; L475-L495 HydrophobicContact CB-CG 4.08Å; L475-L495 HydrophobicContact CD1-CD2 3.99Å; L475-L495 HydrophobicContact CD1-CG 4.34Å; L475-R498 VanDerWaalsContact CD1-CZ 3.42Å |
| 476 | F | 95.4 | Very high | 87.4 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 0% | 0.004 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 174.6 | -63.8 | -51.2 | 0 | 0 | 0 | 111.9 | E472 E473 L478 F479 Y480 L495 W500 W509 W532 | E472-F476 HydrophobicContact CB-CD2 4.38Å; E472-F476 HydrophobicContact CB-CE2 3.87Å; E472-F476 WeakPolarHBondContact O-CD2 3.25Å; E472-F476 WeakPolarHBondContact O-CG 3.43Å; E472-F476 PolarHBondContact O-N 3.14Å; E473-F476 PolarHBondContact O-N 2.86Å; F476-L478 PolarHBondContact O-N 3.04Å; F476-F479 PolarHBondContact O-N 2.84Å; F476-F479 VanDerWaalsContact O-N 3.17Å; F476-Y480 HydrophobicContact CB-CD2 4.45Å; F476-Y480 HydrophobicContact CB-CE2 4.37Å; F476-Y480 WeakPolarHBondContact O-CD2 3.31Å; F476-Y480 PolarHBondContact O-N 3.32Å; F476-L495 HydrophobicContact CD1-CD1 3.79Å; F476-L495 HydrophobicContact CD1-CD2 4.09Å; F476-L495 HydrophobicContact CE1-CD1 3.74Å; F476-L495 HydrophobicContact CE1-CD2 3.56Å; F476-L495 HydrophobicContact CE1-CG 4.29Å; F476-L495 HydrophobicContact CZ-CD2 3.85Å; F476-W500 HydrophobicContact CE1-CD2 4.43Å; F476-W500 HydrophobicContact CE1-CE3 4.41Å; F476-W500 HydrophobicContact CE2-CH2 4.02Å; F476-W500 AromaticContact CE2-CZ2 3.9Å; F476-W500 HydrophobicContact CE2-CZ2 3.9Å; F476-W500 AromaticContact CZ-CD2 3.76Å; F476-W500 HydrophobicContact CZ-CD2 3.76Å; F476-W500 AromaticContact CZ-CE2 3.65Å; F476-W500 AromaticContact CZ-CE3 3.84Å; F476-W500 HydrophobicContact CZ-CE3 3.84Å; F476-W500 HydrophobicContact CZ-CG 4.43Å; F476-W500 AromaticContact CZ-CH2 3.7Å; F476-W500 HydrophobicContact CZ-CH2 3.7Å; F476-W500 AromaticContact CZ-CZ2 3.61Å; F476-W500 HydrophobicContact CZ-CZ2 3.61Å; F476-W500 AromaticContact CZ-CZ3 3.83Å; F476-W500 HydrophobicContact CZ-CZ3 3.83Å; F476-W509 HydrophobicContact CD1-CB 4.26Å; F476-W509 AromaticContact CD1-CD1 3.97Å; F476-W509 HydrophobicContact CD1-CG 4.19Å; F476-W509 HydrophobicContact CE1-CB 3.51Å; F476-W509 AromaticContact CE1-CD1 3.96Å; F476-W509 HydrophobicContact CE1-CD2 4.49Å; F476-W509 AromaticContact CE1-CG 3.71Å; F476-W509 HydrophobicContact CE1-CG 3.71Å; F476-W509 HydrophobicContact CZ-CB 4.27Å; F476-W532 HydrophobicContact CB-CD2 3.97Å; F476-W532 HydrophobicContact CB-CG 4.02Å; F476-W532 HydrophobicContact CB-CZ2 4.22Å; F476-W532 HydrophobicContact CD1-CB 4.16Å; F476-W532 HydrophobicContact CD1-CG 4.05Å; F476-W532 HydrophobicContact CD2-CB 4.01Å; F476-W532 AromaticContact CD2-CD2 3.19Å; F476-W532 HydrophobicContact CD2-CD2 3.19Å; F476-W532 AromaticContact CD2-CE2 3.74Å; F476-W532 AromaticContact CD2-CE3 3.3Å; F476-W532 HydrophobicContact CD2-CE3 3.3Å; F476-W532 AromaticContact CD2-CG 3.52Å; F476-W532 HydrophobicContact CD2-CG 3.52Å; F476-W532 HydrophobicContact CD2-CH2 4.36Å; F476-W532 HydrophobicContact CD2-CZ2 4.28Å; F476-W532 AromaticContact CD2-CZ3 3.91Å; F476-W532 HydrophobicContact CD2-CZ3 3.91Å; F476-W532 HydrophobicContact CE1-CB 4.1Å; F476-W532 HydrophobicContact CE1-CG 4.44Å; F476-W532 HydrophobicContact CE2-CB 3.93Å; F476-W532 AromaticContact CE2-CD2 3.77Å; F476-W532 HydrophobicContact CE2-CD2 3.77Å; F476-W532 AromaticContact CE2-CE3 3.57Å; F476-W532 HydrophobicContact CE2-CE3 3.57Å; F476-W532 AromaticContact CE2-CG 3.95Å; F476-W532 HydrophobicContact CE2-CG 3.95Å; F476-W532 HydrophobicContact CE2-CZ3 4.34Å; F476-W532 HydrophobicContact CG-CB 4.13Å; F476-W532 AromaticContact CG-CD1 3.86Å; F476-W532 AromaticContact CG-CD2 3.67Å; F476-W532 HydrophobicContact CG-CD2 3.67Å; F476-W532 AromaticContact CG-CE2 3.94Å; F476-W532 HydrophobicContact CG-CE3 4.24Å; F476-W532 AromaticContact CG-CG 3.59Å; F476-W532 HydrophobicContact CG-CG 3.59Å; F476-W532 HydrophobicContact CZ-CB 3.98Å; F476-W532 HydrophobicContact CZ-CG 4.38Å |
| 477 | W | 92 | Very high | 87.6 | Confident | 135 Ų | 135 | 56.9 Ų | 56.9 | 51% | 0.511 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.1 | -48.2 | 175 | -176.3 | 87.6 | 0 | 0 | 0 | 111.6 | E473 T474 L475 F479 Y480 N481 | E473-W477 PolarHBondContact O-N 3.14Å; T474-W477 PolarHBondContact O-N 2.72Å; L475-W477 PolarHBondContact O-N 2.76Å; W477-F479 PolarHBondContact O-N 3.43Å; W477-Y480 PolarHBondContact O-N 3.14Å; W477-N481 HydrophobicContact CZ2-CB 4.38Å; W477-N481 PolarHBondContact NE1-ND2 2.84Å; W477-N481 WeakPolarHBondContact O-CB 3.39Å; W477-N481 PolarHBondContact O-N 3.12Å; W477-N481 PolarHBondContact O-ND2 3.32Å |
| 478 | L | 91.8 | Very high | 88.1 | Confident | 25 Ų | 25 | 58.2 Ų | 58.2 | 13% | 0.131 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 174.8 | -70.9 | 167.6 | 0 | 0 | 0 | 111.9 | M467 L470 T474 L475 F476 Y480 N481 C482 V491 | M467-L478 HydrophobicContact SD-CD1 4.15Å; L470-L478 HydrophobicContact CD1-CD1 3.77Å; T474-L478 HydrophobicContact CG2-CD1 4.4Å; T474-L478 WeakPolarHBondContact O-CG 3.38Å; T474-L478 PolarHBondContact O-N 2.64Å; L475-L478 PolarHBondContact O-N 3.21Å; F476-L478 PolarHBondContact O-N 3.04Å; L478-Y480 PolarHBondContact O-N 2.6Å; L478-N481 PolarHBondContact O-N 3.48Å; L478-C482 VanDerWaalsContact O-CB 3.28Å; L478-C482 WeakPolarHBondContact O-CB 3.37Å; L478-C482 PolarHBondContact O-N 3.43Å; L478-V491 HydrophobicContact CB-CG1 4.39Å; L478-V491 HydrophobicContact CB-CG2 3.77Å; L478-V491 HydrophobicContact CD1-CG2 3.99Å |
| 479 | F | 92.9 | Very high | 88.4 | Confident | 16 Ų | 16 | 56.6 Ų | 56.6 | 7% | 0.07 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.3 | -40.5 | -178.3 | -179.6 | -95.3 | 0 | 0 | 0 | 113.2 | L475 F476 W477 Q488 V491 A492 F502 W509 | L475-F479 WeakPolarHBondContact O-CB 3.4Å; L475-F479 PolarHBondContact O-N 3.5Å; F476-F479 PolarHBondContact O-N 2.84Å; F476-F479 VanDerWaalsContact O-N 3.17Å; W477-F479 PolarHBondContact O-N 3.43Å; F479-Q488 HydrophobicContact CD2-CG 3.71Å; F479-Q488 HydrophobicContact CE2-CG 3.83Å; F479-Q488 HydrophobicContact CG-CG 4.44Å; F479-Q488 PolarHBondContact O-NE2 2.82Å; F479-V491 HydrophobicContact CB-CG1 3.79Å; F479-A492 HydrophobicContact CD2-CB 4.13Å; F479-A492 HydrophobicContact CE2-CB 3.95Å; F479-F502 HydrophobicContact CE1-CD2 4.23Å; F479-F502 AromaticContact CE1-CE2 3.7Å; F479-F502 HydrophobicContact CE1-CE2 3.7Å; F479-F502 HydrophobicContact CE1-CZ 4.28Å; F479-F502 HydrophobicContact CZ-CD2 4.08Å; F479-F502 AromaticContact CZ-CE2 3.8Å; F479-F502 HydrophobicContact CZ-CE2 3.8Å; F479-F502 HydrophobicContact CZ-CZ 4.17Å; F479-W509 AromaticContact CD1-CD1 3.84Å; F479-W509 AromaticContact CD1-NE1 3.22Å; F479-W509 HydrophobicContact CD2-CZ2 4.01Å; F479-W509 AromaticContact CD2-NE1 3.64Å; F479-W509 AromaticContact CE1-CD1 3.89Å; F479-W509 AromaticContact CE1-NE1 3.17Å; F479-W509 AromaticContact CE2-CE2 3.96Å; F479-W509 AromaticContact CE2-CZ2 3.69Å; F479-W509 HydrophobicContact CE2-CZ2 3.69Å; F479-W509 AromaticContact CE2-NE1 3.6Å; F479-W509 AromaticContact CG-NE1 3.46Å; F479-W509 AromaticContact CZ-CE2 3.99Å; F479-W509 HydrophobicContact CZ-CZ2 4.08Å; F479-W509 AromaticContact CZ-NE1 3.37Å |
| 480 | Y | 91.7 | Very high | 88.4 | Confident | 36 Ų | 36 | 49.7 Ų | 49.7 | 14% | 0.141 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -90.4 | -16.6 | -178.2 | -65.4 | -72.8 | 0 | 0 | 0 | 114.1 | M168 F476 W477 L478 C483 Q507 W532 P534 | M168-Y480 HydrophobicContact CE-CD1 4.34Å; M168-Y480 HydrophobicContact CE-CE1 4.33Å; F476-Y480 HydrophobicContact CB-CD2 4.45Å; F476-Y480 HydrophobicContact CB-CE2 4.37Å; F476-Y480 WeakPolarHBondContact O-CD2 3.31Å; F476-Y480 PolarHBondContact O-N 3.32Å; W477-Y480 PolarHBondContact O-N 3.14Å; L478-Y480 PolarHBondContact O-N 2.6Å; Y480-C483 PolarHBondContact O-SG 3.15Å; Y480-Q507 PolarHBondContact OH-O 2.62Å; Y480-W532 AromaticContact CE2-CD1 3.69Å; Y480-P534 HydrophobicContact CD1-CB 4.16Å; Y480-P534 HydrophobicContact CD2-CB 3.87Å; Y480-P534 HydrophobicContact CE1-CB 4.05Å; Y480-P534 HydrophobicContact CE1-CG 4.25Å; Y480-P534 HydrophobicContact CE2-CB 3.79Å; Y480-P534 HydrophobicContact CG-CB 4.08Å |
| 481 | N | 87.3 | Confident | 88.5 | Confident | 40 Ų | 40 | 48.2 Ų | 48.2 | 21% | 0.214 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -102.1 | -40.5 | 179 | -68.4 | -88 | 0 | 0 | 0 | 113.3 | R440 Q442 W477 L478 C483 | R440-N481 VanDerWaalsContact CD-O 3.29Å; R440-N481 WeakPolarHBondContact CD-O 3.29Å; R440-N481 PolarHBondContact NH1-O 3.05Å; Q442-N481 PolarHBondContact NE2-O 3.37Å; W477-N481 HydrophobicContact CZ2-CB 4.38Å; W477-N481 PolarHBondContact NE1-ND2 2.84Å; W477-N481 WeakPolarHBondContact O-CB 3.39Å; W477-N481 PolarHBondContact O-N 3.12Å; W477-N481 PolarHBondContact O-ND2 3.32Å; L478-N481 PolarHBondContact O-N 3.48Å; N481-C483 PolarHBondContact O-N 3.44Å |
| 482 | C | 83.1 | Confident | 88.5 | Confident | 15 Ų | 15 | 46 Ų | 46 | 10% | 0.101 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -81.3 | 35.8 | 176.8 | -69.8 | 0 | 0 | 0 | 0 | 112.8 | L478 R484 E485 A487 Q488 | L478-C482 VanDerWaalsContact O-CB 3.28Å; L478-C482 WeakPolarHBondContact O-CB 3.37Å; L478-C482 PolarHBondContact O-N 3.43Å; C482-R484 PolarHBondContact O-N 3.32Å; C482-E485 HydrophobicContact CB-CB 4.38Å; C482-E485 WeakPolarHBondContact CB-OE2 3.41Å; C482-E485 WeakPolarHBondContact O-CB 3.2Å; C482-E485 PolarHBondContact O-N 2.92Å; C482-E485 VanDerWaalsContact O-N 3.12Å; C482-E485 PolarHBondContact SG-OE2 3.1Å; C482-E485 VanDerWaalsContact SG-OE2 3.37Å; C482-A487 HydrophobicContact CB-CB 4.05Å; C482-Q488 WeakPolarHBondContact O-CB 3.27Å |
| 483 | C | 77.3 | Confident | 88.3 | Confident | 45 Ų | 45 | 44.3 Ų | 44.3 | 30% | 0.304 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 136.2 | -177.4 | -74.4 | 0 | 0 | 0 | 0 | 112.6 | Y480 N481 E485 Q488 | Y480-C483 PolarHBondContact O-SG 3.15Å; N481-C483 PolarHBondContact O-N 3.44Å; C483-E485 PolarHBondContact O-N 2.99Å; C483-Q488 PolarHBondContact SG-NE2 2.8Å |
| 484 | R | 71.5 | Confident | 88.1 | Confident | 174 Ų | 174 | 39.4 Ų | 39.4 | 66% | 0.657 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | 4 | -176.2 | -46.9 | -176.5 | -176.5 | -160 | 7.1 | 115.7 | D435 C482 | D435-R484 IonicContact OD2-CZ 3.44Å; D435-R484 IonicContact OD2-NH1 3.18Å; D435-R484 PolarHBondContact OD2-NH1 3.47Å; D435-R484 IonicContact OD2-NH2 3.09Å; D435-R484 PolarHBondContact OD2-NH2 3.16Å; C482-R484 PolarHBondContact O-N 3.32Å |
| 485 | E | 80.5 | Confident | 88.2 | Confident | 61 Ų | 61 | 36.7 Ų | 36.7 | 29% | 0.285 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -88 | 157.1 | 169.2 | -63.9 | 162.9 | -147.9 | 0 | 0 | 111.3 | R440 C482 C483 A487 Q488 | R440-E485 IonicContact CZ-OE1 3.52Å; R440-E485 IonicContact NH1-OE1 2.76Å; R440-E485 PolarHBondContact NH1-OE1 3.22Å; R440-E485 IonicContact NH2-OE1 3.46Å; R440-E485 PolarHBondContact NH2-OE1 2.7Å; C482-E485 HydrophobicContact CB-CB 4.38Å; C482-E485 WeakPolarHBondContact CB-OE2 3.41Å; C482-E485 WeakPolarHBondContact O-CB 3.2Å; C482-E485 PolarHBondContact O-N 2.92Å; C482-E485 VanDerWaalsContact O-N 3.12Å; C482-E485 PolarHBondContact SG-OE2 3.1Å; C482-E485 VanDerWaalsContact SG-OE2 3.37Å; C483-E485 PolarHBondContact O-N 2.99Å; E485-A487 HydrophobicContact CB-CB 4.26Å; E485-A487 PolarHBondContact O-N 3.45Å; E485-A487 VanDerWaalsContact O-N 3.15Å; E485-Q488 WeakPolarHBondContact O-CB 3.27Å; E485-Q488 PolarHBondContact O-N 2.87Å |
| 486 | E | 83 | Confident | 88.1 | Confident | 63 Ų | 63 | 40 Ų | 40 | 29% | 0.294 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -54.4 | -30.7 | 171.2 | -158.5 | -177.7 | -139 | 0 | 0 | 112.3 | Q488 L489 V490 R559 L560 S561 | E486-Q488 PolarHBondContact O-N 3.07Å; E486-L489 PolarHBondContact O-N 2.83Å; E486-V490 WeakPolarHBondContact O-CG2 3.31Å; E486-V490 PolarHBondContact O-N 3.49Å; E486-V490 VanDerWaalsContact O-N 3.16Å; E486-R559 VanDerWaalsContact CD-O 3.27Å; E486-R559 WeakPolarHBondContact CG-O 3.27Å; E486-L560 HydrophobicContact CB-CD2 4.07Å; E486-L560 HydrophobicContact CG-CD2 3.97Å; E486-L560 VanDerWaalsContact OE2-CA 3.29Å; E486-L560 WeakPolarHBondContact OE2-CA 3.45Å; E486-S561 WeakPolarHBondContact OE1-CB 3.5Å; E486-S561 PolarHBondContact OE1-N 3.21Å; E486-S561 VanDerWaalsContact OE1-N 3.12Å; E486-S561 PolarHBondContact OE1-OG 3.49Å; E486-S561 PolarHBondContact OE2-N 3.43Å |
| 487 | A | 84.7 | Confident | 88 | Confident | 13 Ų | 13 | 45.4 Ų | 45.4 | 11% | 0.107 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.5 | -45.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | C482 E485 L489 V490 V491 | C482-A487 HydrophobicContact CB-CB 4.05Å; E485-A487 HydrophobicContact CB-CB 4.26Å; E485-A487 PolarHBondContact O-N 3.45Å; E485-A487 VanDerWaalsContact O-N 3.15Å; A487-L489 VanDerWaalsContact C-N 3.31Å; A487-L489 PolarHBondContact O-N 2.66Å; A487-V490 PolarHBondContact O-N 2.94Å; A487-V491 VanDerWaalsContact O-CB 3.29Å; A487-V491 WeakPolarHBondContact O-CB 3.38Å; A487-V491 WeakPolarHBondContact O-CG2 3.22Å; A487-V491 PolarHBondContact O-N 3.45Å |
| 488 | Q | 89.8 | Confident | 88 | Confident | 31 Ų | 31 | 42 Ų | 42 | 15% | 0.145 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.8 | -40.5 | -179.9 | -177.4 | 176.3 | 47.6 | 0 | 0 | 111.9 | F479 C482 C483 E485 E486 A492 | F479-Q488 HydrophobicContact CD2-CG 3.71Å; F479-Q488 HydrophobicContact CE2-CG 3.83Å; F479-Q488 HydrophobicContact CG-CG 4.44Å; F479-Q488 PolarHBondContact O-NE2 2.82Å; C482-Q488 WeakPolarHBondContact O-CB 3.27Å; C483-Q488 PolarHBondContact SG-NE2 2.8Å; E485-Q488 WeakPolarHBondContact O-CB 3.27Å; E485-Q488 PolarHBondContact O-N 2.87Å; E486-Q488 PolarHBondContact O-N 3.07Å; Q488-A492 VanDerWaalsContact O-CB 3.24Å; Q488-A492 WeakPolarHBondContact O-CB 3.36Å; Q488-A492 PolarHBondContact O-N 2.86Å |
| 489 | L | 89.1 | Confident | 88.1 | Confident | 66 Ų | 66 | 47.5 Ų | 47.5 | 35% | 0.346 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -69 | -38.8 | 179.8 | -63.9 | 170.4 | 0 | 0 | 0 | 112.1 | E486 A487 K493 F558 | E486-L489 PolarHBondContact O-N 2.83Å; A487-L489 VanDerWaalsContact C-N 3.31Å; A487-L489 PolarHBondContact O-N 2.66Å; L489-K493 PolarHBondContact O-N 2.88Å; L489-K493 VanDerWaalsContact O-N 3.16Å; L489-F558 HydrophobicContact CB-CB 4.27Å; L489-F558 HydrophobicContact CB-CD2 3.78Å; L489-F558 HydrophobicContact CB-CE2 4.34Å; L489-F558 HydrophobicContact CB-CG 4.01Å; L489-F558 HydrophobicContact CD1-CD1 3.95Å; L489-F558 HydrophobicContact CD1-CD2 3.97Å; L489-F558 HydrophobicContact CD1-CE1 3.89Å; L489-F558 HydrophobicContact CD1-CE2 3.9Å; L489-F558 HydrophobicContact CD1-CG 4.01Å; L489-F558 HydrophobicContact CD1-CZ 3.87Å; L489-F558 HydrophobicContact CD2-CD2 4.34Å; L489-F558 HydrophobicContact CD2-CE2 4.08Å; L489-F558 HydrophobicContact CG-CD2 4.26Å; L489-F558 HydrophobicContact CG-CE2 4.34Å |
| 490 | V | 88.2 | Confident | 88.3 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -72.3 | -40.7 | 178.4 | 169 | 0 | 0 | 0 | 0 | 111.4 | M467 E486 A487 K493 E494 F558 L560 A567 | M467-V490 HydrophobicContact CE-CG1 4.03Å; M467-V490 HydrophobicContact CG-CG1 4.4Å; E486-V490 WeakPolarHBondContact O-CG2 3.31Å; E486-V490 PolarHBondContact O-N 3.49Å; E486-V490 VanDerWaalsContact O-N 3.16Å; A487-V490 PolarHBondContact O-N 2.94Å; V490-K493 WeakPolarHBondContact O-CB 3.34Å; V490-K493 PolarHBondContact O-N 2.69Å; V490-E494 PolarHBondContact O-N 2.88Å; V490-E494 VanDerWaalsContact O-N 3.08Å; V490-F558 HydrophobicContact CG2-CB 4.26Å; V490-L560 HydrophobicContact CB-CD2 4.11Å; V490-L560 HydrophobicContact CB-CG 4.38Å; V490-L560 HydrophobicContact CG1-CD2 4.5Å; V490-L560 HydrophobicContact CG1-CG 4.27Å; V490-L560 HydrophobicContact CG2-CD2 3.75Å; V490-L560 HydrophobicContact CG2-CG 3.99Å; V490-A567 HydrophobicContact CG1-CB 3.46Å; V490-A567 VanDerWaalsContact CG1-CB 3.46Å |
| 491 | V | 91.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.3 | -44.9 | 172.2 | 166.8 | 0 | 0 | 0 | 0 | 111.5 | M467 L475 L478 F479 A487 K493 E494 L495 | M467-V491 HydrophobicContact CE-CG2 3.76Å; M467-V491 HydrophobicContact SD-CG2 3.56Å; M467-V491 VanDerWaalsContact SD-CG2 3.56Å; L475-V491 HydrophobicContact CB-CG1 4.05Å; L475-V491 HydrophobicContact CD2-CG1 4.16Å; L475-V491 HydrophobicContact CD2-CG2 4.2Å; L475-V491 WeakPolarHBondContact O-CG1 3.44Å; L478-V491 HydrophobicContact CB-CG1 4.39Å; L478-V491 HydrophobicContact CB-CG2 3.77Å; L478-V491 HydrophobicContact CD1-CG2 3.99Å; F479-V491 HydrophobicContact CB-CG1 3.79Å; A487-V491 VanDerWaalsContact O-CB 3.29Å; A487-V491 WeakPolarHBondContact O-CB 3.38Å; A487-V491 WeakPolarHBondContact O-CG2 3.22Å; A487-V491 PolarHBondContact O-N 3.45Å; V491-K493 PolarHBondContact O-N 2.91Å; V491-E494 PolarHBondContact O-N 3.25Å; V491-L495 HydrophobicContact CG1-CD1 4.06Å; V491-L495 WeakPolarHBondContact O-CG 3.47Å; V491-L495 PolarHBondContact O-N 3.48Å |
| 492 | A | 92.8 | Very high | 88.8 | Confident | 8 Ų | 8 | 47.5 Ų | 47.5 | 7% | 0.066 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.5 | -35.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F479 Q488 Y496 W509 P555 | F479-A492 HydrophobicContact CD2-CB 4.13Å; F479-A492 HydrophobicContact CE2-CB 3.95Å; Q488-A492 VanDerWaalsContact O-CB 3.24Å; Q488-A492 WeakPolarHBondContact O-CB 3.36Å; Q488-A492 PolarHBondContact O-N 2.86Å; A492-Y496 WeakPolarHBondContact O-CB 3.37Å; A492-Y496 PolarHBondContact O-N 3.47Å; A492-W509 HydrophobicContact CB-CH2 3.88Å; A492-W509 HydrophobicContact CB-CZ2 3.66Å; A492-W509 WeakPolarHBondContact O-CH2 3.47Å; A492-P555 HydrophobicContact CB-CG 3.79Å |
| 493 | K | 89.8 | Confident | 89.4 | Confident | 25 Ų | 25 | 47.2 Ų | 47.2 | 11% | 0.109 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70.1 | -41.4 | 176.9 | -162.1 | -177.3 | -175.6 | -168.7 | 0 | 112 | L489 V490 V491 Y496 Q497 P555 F558 V569 | L489-K493 PolarHBondContact O-N 2.88Å; L489-K493 VanDerWaalsContact O-N 3.16Å; V490-K493 WeakPolarHBondContact O-CB 3.34Å; V490-K493 PolarHBondContact O-N 2.69Å; V491-K493 PolarHBondContact O-N 2.91Å; K493-Y496 PolarHBondContact O-N 3.01Å; K493-Q497 WeakPolarHBondContact O-CG 3.5Å; K493-Q497 PolarHBondContact O-N 3.37Å; K493-Q497 VanDerWaalsContact O-N 3.07Å; K493-P555 HydrophobicContact CB-CB 4.42Å; K493-F558 PolarHBondContact NZ-O 3.21Å; K493-V569 HydrophobicContact CD-CB 3.8Å; K493-V569 HydrophobicContact CD-CG1 3.7Å; K493-V569 HydrophobicContact CD-CG2 4.25Å; K493-V569 VanDerWaalsContact CE-CG1 3.46Å; K493-V569 HydrophobicContact CG-CG1 4.09Å; K493-V569 PolarHBondContact NZ-O 3.41Å |
| 494 | E | 91.2 | Very high | 90.2 | Very high | 16 Ų | 16 | 49.2 Ų | 49.2 | 8% | 0.075 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.3 | -46.9 | 173.5 | 177.7 | 68.1 | -149.3 | 0 | 0 | 111.3 | M467 N468 L475 V490 V491 Y496 Q497 R498 | M467-E494 HydrophobicContact CG-CB 4Å; M467-E494 HydrophobicContact CG-CG 4.09Å; N468-E494 WeakPolarHBondContact CA-OE1 3.45Å; L475-E494 HydrophobicContact CD1-CB 4.37Å; L475-E494 HydrophobicContact CD1-CG 3.52Å; L475-E494 HydrophobicContact CD2-CB 4.48Å; L475-E494 HydrophobicContact CD2-CG 4.08Å; L475-E494 HydrophobicContact CG-CG 4.48Å; V490-E494 PolarHBondContact O-N 2.88Å; V490-E494 VanDerWaalsContact O-N 3.08Å; V491-E494 PolarHBondContact O-N 3.25Å; E494-Y496 VanDerWaalsContact C-N 3.3Å; E494-Y496 PolarHBondContact O-N 2.76Å; E494-Q497 WeakPolarHBondContact O-CB 3.32Å; E494-Q497 PolarHBondContact O-N 3.49Å; E494-Q497 VanDerWaalsContact O-N 3.09Å; E494-R498 WeakPolarHBondContact O-CG 3.48Å; E494-R498 PolarHBondContact O-N 3.43Å; E494-R498 IonicContact OE1-CZ 3.22Å; E494-R498 IonicContact OE1-NE 2.78Å; E494-R498 PolarHBondContact OE1-NE 2.84Å; E494-R498 IonicContact OE1-NH2 2.8Å; E494-R498 PolarHBondContact OE1-NH2 3.17Å |
| 495 | L | 94.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58 | -42.3 | 174.2 | -72.6 | 171.5 | 0 | 0 | 0 | 111.6 | L475 F476 V491 Q497 R498 W500 W509 | L475-L495 HydrophobicContact CB-CD1 4.42Å; L475-L495 HydrophobicContact CB-CD2 3.82Å; L475-L495 HydrophobicContact CB-CG 4.08Å; L475-L495 HydrophobicContact CD1-CD2 3.99Å; L475-L495 HydrophobicContact CD1-CG 4.34Å; F476-L495 HydrophobicContact CD1-CD1 3.79Å; F476-L495 HydrophobicContact CD1-CD2 4.09Å; F476-L495 HydrophobicContact CE1-CD1 3.74Å; F476-L495 HydrophobicContact CE1-CD2 3.56Å; F476-L495 HydrophobicContact CE1-CG 4.29Å; F476-L495 HydrophobicContact CZ-CD2 3.85Å; V491-L495 HydrophobicContact CG1-CD1 4.06Å; V491-L495 WeakPolarHBondContact O-CG 3.47Å; V491-L495 PolarHBondContact O-N 3.48Å; L495-Q497 VanDerWaalsContact C-N 3.3Å; L495-Q497 PolarHBondContact O-N 3.11Å; L495-R498 CarbonylContact O-C 3.55Å; L495-R498 WeakPolarHBondContact O-CA 3.1Å; L495-R498 PolarHBondContact O-N 3.37Å; L495-R498 VanDerWaalsContact O-N 3.08Å; L495-W500 HydrophobicContact CB-CB 4.35Å; L495-W500 WeakPolarHBondContact O-CB 3.29Å; L495-W500 PolarHBondContact O-N 2.57Å; L495-W500 VanDerWaalsContact O-N 3.11Å; L495-W509 HydrophobicContact CB-CD2 4.42Å; L495-W509 HydrophobicContact CB-CE3 4.13Å; L495-W509 HydrophobicContact CB-CH2 4Å; L495-W509 HydrophobicContact CB-CZ2 4.31Å; L495-W509 HydrophobicContact CB-CZ3 3.91Å; L495-W509 HydrophobicContact CD1-CD2 3.98Å; L495-W509 HydrophobicContact CD1-CG 4.33Å; L495-W509 HydrophobicContact CD1-CZ2 3.98Å |
| 496 | Y | 93.3 | Very high | 91.8 | Very high | 70 Ų | 70 | 50 Ų | 50 | 28% | 0.275 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.5 | -35.3 | 175.6 | -167.1 | -79.9 | 0 | 0 | 0 | 113 | A492 K493 E494 R498 E499 W500 R501 A554 | A492-Y496 WeakPolarHBondContact O-CB 3.37Å; A492-Y496 PolarHBondContact O-N 3.47Å; K493-Y496 PolarHBondContact O-N 3.01Å; E494-Y496 VanDerWaalsContact C-N 3.3Å; E494-Y496 PolarHBondContact O-N 2.76Å; Y496-R498 VanDerWaalsContact C-N 3.32Å; Y496-E499 PolarHBondContact O-N 3.23Å; Y496-W500 WeakPolarHBondContact CA-O 3.41Å; Y496-R501 PolarHBondContact O-NH1 3.19Å; Y496-A554 HydrophobicContact CD1-CB 3.85Å; Y496-A554 HydrophobicContact CD2-CB 4.3Å; Y496-A554 HydrophobicContact CE1-CB 3.61Å; Y496-A554 HydrophobicContact CE2-CB 4.07Å; Y496-A554 HydrophobicContact CG-CB 4.2Å |
| 497 | Q | 91.4 | Very high | 92.3 | Very high | 114 Ų | 114 | 50.2 Ų | 50.2 | 53% | 0.533 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -69.8 | -28.5 | 174 | -72.4 | -175.3 | -45.5 | 0 | 0 | 112.6 | K493 E494 L495 E499 | K493-Q497 WeakPolarHBondContact O-CG 3.5Å; K493-Q497 PolarHBondContact O-N 3.37Å; K493-Q497 VanDerWaalsContact O-N 3.07Å; E494-Q497 WeakPolarHBondContact O-CB 3.32Å; E494-Q497 PolarHBondContact O-N 3.49Å; E494-Q497 VanDerWaalsContact O-N 3.09Å; L495-Q497 VanDerWaalsContact C-N 3.3Å; L495-Q497 PolarHBondContact O-N 3.11Å; Q497-E499 PolarHBondContact O-N 3.18Å |
| 498 | R | 93.1 | Very high | 92.8 | Very high | 63 Ų | 63 | 50.6 Ų | 50.6 | 24% | 0.238 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 28.4 | 171.3 | -61.1 | 176.5 | -170.6 | -159.3 | 4.2 | 113.4 | M467 N468 L470 L475 E494 L495 Y496 W500 | M467-R498 PolarHBondContact O-NH2 3.32Å; N468-R498 PolarHBondContact O-NH2 3.41Å; N468-R498 VanDerWaalsContact O-NH2 3.16Å; L470-R498 PolarHBondContact O-NH1 3.01Å; L470-R498 PolarHBondContact O-NH2 3.1Å; L475-R498 VanDerWaalsContact CD1-CZ 3.42Å; E494-R498 WeakPolarHBondContact O-CG 3.48Å; E494-R498 PolarHBondContact O-N 3.43Å; E494-R498 IonicContact OE1-CZ 3.22Å; E494-R498 IonicContact OE1-NE 2.78Å; E494-R498 PolarHBondContact OE1-NE 2.84Å; E494-R498 IonicContact OE1-NH2 2.8Å; E494-R498 PolarHBondContact OE1-NH2 3.17Å; L495-R498 CarbonylContact O-C 3.55Å; L495-R498 WeakPolarHBondContact O-CA 3.1Å; L495-R498 PolarHBondContact O-N 3.37Å; L495-R498 VanDerWaalsContact O-N 3.08Å; Y496-R498 VanDerWaalsContact C-N 3.32Å; R498-W500 PolarHBondContact O-N 3.48Å |
| 499 | E | 94 | Very high | 93.1 | Very high | 141 Ų | 141 | 49.4 Ų | 49.4 | 66% | 0.659 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 4.7 | 179.8 | -52.1 | -160.9 | 119.8 | 0 | 0 | 116.9 | Y496 Q497 T511 | Y496-E499 PolarHBondContact O-N 3.23Å; Q497-E499 PolarHBondContact O-N 3.18Å; E499-T511 PolarHBondContact O-OG1 2.88Å |
| 500 | W | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -73.8 | 147.4 | 174.5 | -65.2 | 84.8 | 0 | 0 | 0 | 112.2 | E472 F476 L495 Y496 R498 W509 L510 T511 K539 | E472-W500 PolarHBondContact OE1-NE1 3.35Å; E472-W500 WeakPolarHBondContact OE2-CZ2 3.44Å; F476-W500 HydrophobicContact CE1-CD2 4.43Å; F476-W500 HydrophobicContact CE1-CE3 4.41Å; F476-W500 HydrophobicContact CE2-CH2 4.02Å; F476-W500 AromaticContact CE2-CZ2 3.9Å; F476-W500 HydrophobicContact CE2-CZ2 3.9Å; F476-W500 AromaticContact CZ-CD2 3.76Å; F476-W500 HydrophobicContact CZ-CD2 3.76Å; F476-W500 AromaticContact CZ-CE2 3.65Å; F476-W500 AromaticContact CZ-CE3 3.84Å; F476-W500 HydrophobicContact CZ-CE3 3.84Å; F476-W500 HydrophobicContact CZ-CG 4.43Å; F476-W500 AromaticContact CZ-CH2 3.7Å; F476-W500 HydrophobicContact CZ-CH2 3.7Å; F476-W500 AromaticContact CZ-CZ2 3.61Å; F476-W500 HydrophobicContact CZ-CZ2 3.61Å; F476-W500 AromaticContact CZ-CZ3 3.83Å; F476-W500 HydrophobicContact CZ-CZ3 3.83Å; L495-W500 HydrophobicContact CB-CB 4.35Å; L495-W500 WeakPolarHBondContact O-CB 3.29Å; L495-W500 PolarHBondContact O-N 2.57Å; L495-W500 VanDerWaalsContact O-N 3.11Å; Y496-W500 WeakPolarHBondContact CA-O 3.41Å; R498-W500 PolarHBondContact O-N 3.48Å; W500-W509 HydrophobicContact CB-CE3 3.74Å; W500-W509 HydrophobicContact CB-CZ3 4.27Å; W500-W509 HydrophobicContact CE3-CB 3.98Å; W500-W509 HydrophobicContact CZ3-CB 4.48Å; W500-L510 CarbonylContact C-O 3.57Å; W500-L510 WeakPolarHBondContact CA-O 3.43Å; W500-L510 VanDerWaalsContact CE3-C 3.41Å; W500-T511 HydrophobicContact CD2-CG2 3.84Å; W500-T511 HydrophobicContact CE3-CG2 3.91Å; W500-T511 HydrophobicContact CH2-CG2 4.05Å; W500-T511 HydrophobicContact CZ2-CG2 3.96Å; W500-T511 HydrophobicContact CZ3-CG2 4.01Å; W500-K539 HydrophobicContact CH2-CD 4.15Å; W500-K539 HydrophobicContact CH2-CG 4.22Å; W500-K539 HydrophobicContact CZ2-CD 4.25Å | ||
| 501 | R | 95.2 | Very high | 93.8 | Very high | 63 Ų | 63 | 47.6 Ų | 47.6 | 24% | 0.238 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 140.3 | 176.2 | -55 | -64.3 | 171 | -108.2 | 0.9 | 109.2 | Y496 W509 L510 L551 | Y496-R501 PolarHBondContact O-NH1 3.19Å; R501-W509 VanDerWaalsContact C-CE3 3.5Å; R501-W509 WeakPolarHBondContact O-CA 3.42Å; R501-L510 PolarHBondContact N-O 3.28Å; R501-L510 PolarHBondContact O-N 3.03Å; R501-L551 HydrophobicContact CB-CD1 4.18Å; R501-L551 HydrophobicContact CB-CD2 3.96Å; R501-L551 HydrophobicContact CG-CD1 4.35Å |
| 502 | F | 95.8 | Very high | 94 | Very high | 28 Ų | 28 | 53.5 Ų | 53.5 | 12% | 0.123 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 129.7 | 176.8 | -170.3 | -111.1 | 0 | 0 | 0 | 109.8 | F479 Q507 I508 W509 L551 D552 | F479-F502 HydrophobicContact CE1-CD2 4.23Å; F479-F502 AromaticContact CE1-CE2 3.7Å; F479-F502 HydrophobicContact CE1-CE2 3.7Å; F479-F502 HydrophobicContact CE1-CZ 4.28Å; F479-F502 HydrophobicContact CZ-CD2 4.08Å; F479-F502 AromaticContact CZ-CE2 3.8Å; F479-F502 HydrophobicContact CZ-CE2 3.8Å; F479-F502 HydrophobicContact CZ-CZ 4.17Å; F502-Q507 VanDerWaalsContact CE2-C 3.45Å; F502-Q507 VanDerWaalsContact CE2-O 3.29Å; F502-Q507 WeakPolarHBondContact CE2-O 3.36Å; F502-Q507 HydrophobicContact CZ-CB 4.05Å; F502-I508 WeakPolarHBondContact CD2-O 3.12Å; F502-W509 HydrophobicContact CB-CD2 4.1Å; F502-W509 HydrophobicContact CB-CE3 4.01Å; F502-W509 HydrophobicContact CB-CH2 4.04Å; F502-W509 HydrophobicContact CB-CZ2 4.09Å; F502-W509 HydrophobicContact CB-CZ3 4Å; F502-W509 AromaticContact CD2-CD1 3.78Å; F502-W509 AromaticContact CD2-CD2 3.94Å; F502-W509 HydrophobicContact CD2-CD2 3.94Å; F502-W509 AromaticContact CD2-CE2 3.74Å; F502-W509 AromaticContact CD2-CG 3.99Å; F502-W509 HydrophobicContact CD2-CG 3.99Å; F502-W509 HydrophobicContact CD2-CZ2 4.32Å; F502-W509 AromaticContact CD2-NE1 3.61Å; F502-W509 HydrophobicContact CG-CZ2 4.47Å; F502-L551 CarbonylContact O-C 3.58Å; F502-L551 WeakPolarHBondContact O-CA 3.48Å; F502-D552 HydrophobicContact CB-CB 4.36Å; F502-D552 PolarHBondContact O-N 2.64Å |
| 503 | H | 95.1 | Very high | 94.2 | Very high | 9 Ų | 9 | 54.4 Ų | 54.4 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 106.6 | -179 | -172.6 | -90.4 | 0 | 0 | 0 | 110.1 | K505 E506 Q507 I508 L510 L551 | H503-K505 VanDerWaalsContact C-N 3.28Å; H503-K505 PolarHBondContact O-N 3Å; H503-K505 VanDerWaalsContact O-N 3.14Å; H503-E506 WeakPolarHBondContact ND1-CG 3.3Å; H503-E506 PolarHBondContact ND1-N 2.88Å; H503-E506 PolarHBondContact O-N 3.04Å; H503-Q507 WeakPolarHBondContact O-CA 3.41Å; H503-Q507 PolarHBondContact O-N 3.43Å; H503-I508 HydrophobicContact CB-CG1 4.34Å; H503-I508 PolarHBondContact N-O 3.3Å; H503-L510 HydrophobicContact CB-CD2 3.81Å; H503-L551 HydrophobicContact CB-CD2 4.22Å |
| 504 | K | 94.2 | Very high | 94.3 | Very high | 88 Ų | 88 | 60.3 Ų | 60.3 | 38% | 0.383 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -22.7 | -162 | -61.9 | 174.1 | -58.6 | -144.8 | 0 | 114.9 | S549 D550 L551 D552 | K504-S549 WeakPolarHBondContact CE-O 3.48Å; K504-S549 PolarHBondContact NZ-O 3.01Å; K504-D550 WeakPolarHBondContact CB-O 3.48Å; K504-D550 VanDerWaalsContact CE-O 3.29Å; K504-D550 WeakPolarHBondContact CE-O 3.41Å; K504-D550 WeakPolarHBondContact CG-O 3.45Å; K504-D550 PolarHBondContact N-O 3.4Å; K504-L551 VanDerWaalsContact CE-O 3.32Å; K504-L551 WeakPolarHBondContact CE-O 3.46Å; K504-L551 PolarHBondContact NZ-O 3.16Å; K504-D552 HydrophobicContact CD-CB 3.92Å; K504-D552 HydrophobicContact CG-CB 3.88Å |
| 505 | K | 92.9 | Very high | 94.3 | Very high | 131 Ų | 131 | 63.2 Ų | 63.2 | 57% | 0.57 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -59.7 | 178.1 | -66.3 | 176.8 | -179.9 | 166.5 | 0 | 111.5 | H503 Q507 D550 | H503-K505 VanDerWaalsContact C-N 3.28Å; H503-K505 PolarHBondContact O-N 3Å; H503-K505 VanDerWaalsContact O-N 3.14Å; K505-Q507 PolarHBondContact O-N 3.13Å; K505-D550 HydrophobicContact CD-CB 4.38Å; K505-D550 WeakPolarHBondContact CE-OD1 3.47Å; K505-D550 VanDerWaalsContact CE-OD2 3.3Å; K505-D550 WeakPolarHBondContact CE-OD2 3.3Å; K505-D550 IonicContact NZ-OD1 2.94Å; K505-D550 PolarHBondContact NZ-OD1 2.84Å; K505-D550 IonicContact NZ-OD2 2.66Å; K505-D550 PolarHBondContact NZ-OD2 3.5Å |
| 506 | E | 91.7 | Very high | 94.2 | Very high | 120 Ų | 120 | 64.3 Ų | 64.3 | 56% | 0.561 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -15.4 | 177.3 | -56.2 | -47.1 | 124 | 0 | 0 | 114 | H503 I508 | H503-E506 WeakPolarHBondContact ND1-CG 3.3Å; H503-E506 PolarHBondContact ND1-N 2.88Å; H503-E506 PolarHBondContact O-N 3.04Å; E506-I508 VanDerWaalsContact C-N 3.25Å; E506-I508 HydrophobicContact CB-CD1 3.96Å; E506-I508 HydrophobicContact CB-CG1 3.91Å; E506-I508 PolarHBondContact O-N 2.97Å |
| 507 | Q | 93.6 | Very high | 94.1 | Very high | 67 Ų | 67 | 68 Ų | 68 | 31% | 0.313 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 29.9 | -177.4 | -56.6 | -169.1 | -37.2 | 0 | 0 | 115.1 | M168 Y480 F502 H503 K505 | M168-Q507 HydrophobicContact CE-CB 4.33Å; Y480-Q507 PolarHBondContact OH-O 2.62Å; F502-Q507 VanDerWaalsContact CE2-C 3.45Å; F502-Q507 VanDerWaalsContact CE2-O 3.29Å; F502-Q507 WeakPolarHBondContact CE2-O 3.36Å; F502-Q507 HydrophobicContact CZ-CB 4.05Å; H503-Q507 WeakPolarHBondContact O-CA 3.41Å; H503-Q507 PolarHBondContact O-N 3.43Å; K505-Q507 PolarHBondContact O-N 3.13Å |
| 508 | I | 95.2 | Very high | 94.1 | Very high | 21 Ų | 21 | 65.3 Ų | 65.3 | 11% | 0.108 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 154.8 | 178.3 | 63.8 | -173.2 | 0 | 0 | 0 | 112.4 | F502 H503 E506 F531 M544 | F502-I508 WeakPolarHBondContact CD2-O 3.12Å; H503-I508 HydrophobicContact CB-CG1 4.34Å; H503-I508 PolarHBondContact N-O 3.3Å; E506-I508 VanDerWaalsContact C-N 3.25Å; E506-I508 HydrophobicContact CB-CD1 3.96Å; E506-I508 HydrophobicContact CB-CG1 3.91Å; E506-I508 PolarHBondContact O-N 2.97Å; I508-F531 HydrophobicContact CD1-CB 4.02Å; I508-F531 HydrophobicContact CD1-CD2 3.96Å; I508-F531 HydrophobicContact CD1-CG 4.17Å; I508-F531 HydrophobicContact CG2-CD2 4.48Å; I508-M544 HydrophobicContact CD1-CE 4.33Å |
| 509 | W | 97 | Very high | 94.1 | Very high | 7 Ų | 7 | 67.3 Ų | 67.3 | 3% | 0.027 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 134.7 | 163.3 | -73.4 | 95.2 | 0 | 0 | 0 | 110.2 | F476 F479 A492 L495 W500 R501 F502 F531 W532 | F476-W509 HydrophobicContact CD1-CB 4.26Å; F476-W509 AromaticContact CD1-CD1 3.97Å; F476-W509 HydrophobicContact CD1-CG 4.19Å; F476-W509 HydrophobicContact CE1-CB 3.51Å; F476-W509 AromaticContact CE1-CD1 3.96Å; F476-W509 HydrophobicContact CE1-CD2 4.49Å; F476-W509 AromaticContact CE1-CG 3.71Å; F476-W509 HydrophobicContact CE1-CG 3.71Å; F476-W509 HydrophobicContact CZ-CB 4.27Å; F479-W509 AromaticContact CD1-CD1 3.84Å; F479-W509 AromaticContact CD1-NE1 3.22Å; F479-W509 HydrophobicContact CD2-CZ2 4.01Å; F479-W509 AromaticContact CD2-NE1 3.64Å; F479-W509 AromaticContact CE1-CD1 3.89Å; F479-W509 AromaticContact CE1-NE1 3.17Å; F479-W509 AromaticContact CE2-CE2 3.96Å; F479-W509 AromaticContact CE2-CZ2 3.69Å; F479-W509 HydrophobicContact CE2-CZ2 3.69Å; F479-W509 AromaticContact CE2-NE1 3.6Å; F479-W509 AromaticContact CG-NE1 3.46Å; F479-W509 AromaticContact CZ-CE2 3.99Å; F479-W509 HydrophobicContact CZ-CZ2 4.08Å; F479-W509 AromaticContact CZ-NE1 3.37Å; A492-W509 HydrophobicContact CB-CH2 3.88Å; A492-W509 HydrophobicContact CB-CZ2 3.66Å; A492-W509 WeakPolarHBondContact O-CH2 3.47Å; L495-W509 HydrophobicContact CB-CD2 4.42Å; L495-W509 HydrophobicContact CB-CE3 4.13Å; L495-W509 HydrophobicContact CB-CH2 4Å; L495-W509 HydrophobicContact CB-CZ2 4.31Å; L495-W509 HydrophobicContact CB-CZ3 3.91Å; L495-W509 HydrophobicContact CD1-CD2 3.98Å; L495-W509 HydrophobicContact CD1-CG 4.33Å; L495-W509 HydrophobicContact CD1-CZ2 3.98Å; W500-W509 HydrophobicContact CB-CE3 3.74Å; W500-W509 HydrophobicContact CB-CZ3 4.27Å; W500-W509 HydrophobicContact CE3-CB 3.98Å; W500-W509 HydrophobicContact CZ3-CB 4.48Å; R501-W509 VanDerWaalsContact C-CE3 3.5Å; R501-W509 WeakPolarHBondContact O-CA 3.42Å; F502-W509 HydrophobicContact CB-CD2 4.1Å; F502-W509 HydrophobicContact CB-CE3 4.01Å; F502-W509 HydrophobicContact CB-CH2 4.04Å; F502-W509 HydrophobicContact CB-CZ2 4.09Å; F502-W509 HydrophobicContact CB-CZ3 4Å; F502-W509 AromaticContact CD2-CD1 3.78Å; F502-W509 AromaticContact CD2-CD2 3.94Å; F502-W509 HydrophobicContact CD2-CD2 3.94Å; F502-W509 AromaticContact CD2-CE2 3.74Å; F502-W509 AromaticContact CD2-CG 3.99Å; F502-W509 HydrophobicContact CD2-CG 3.99Å; F502-W509 HydrophobicContact CD2-CZ2 4.32Å; F502-W509 AromaticContact CD2-NE1 3.61Å; F502-W509 HydrophobicContact CG-CZ2 4.47Å; W509-F531 CarbonylContact O-C 3.44Å; W509-F531 VanDerWaalsContact O-CA 3.27Å; W509-F531 WeakPolarHBondContact O-CA 3.35Å; W509-W532 PolarHBondContact O-N 3.43Å |
| 510 | L | 96.2 | Very high | 94 | Very high | 6 Ų | 6 | 64.5 Ų | 64.5 | 3% | 0.031 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 157 | 177.5 | 63.7 | 86.2 | 0 | 0 | 0 | 113.1 | W500 R501 H503 Y529 Y530 F531 I546 L551 | W500-L510 CarbonylContact C-O 3.57Å; W500-L510 WeakPolarHBondContact CA-O 3.43Å; W500-L510 VanDerWaalsContact CE3-C 3.41Å; R501-L510 PolarHBondContact N-O 3.28Å; R501-L510 PolarHBondContact O-N 3.03Å; H503-L510 HydrophobicContact CB-CD2 3.81Å; L510-Y529 HydrophobicContact CD1-CD1 3.82Å; L510-Y529 HydrophobicContact CD1-CE1 4.23Å; L510-Y529 HydrophobicContact CD1-CG 4.48Å; L510-Y530 CarbonylContact C-O 3.58Å; L510-Y530 WeakPolarHBondContact CA-O 3.38Å; L510-F531 HydrophobicContact CB-CB 4.12Å; L510-I546 HydrophobicContact CD1-CD1 4.37Å; L510-I546 HydrophobicContact CD2-CD1 3.6Å; L510-L551 HydrophobicContact CD1-CD2 4.39Å |
| 511 | T | 96.4 | Very high | 93.8 | Very high | 22 Ų | 22 | 68.3 Ų | 68.3 | 14% | 0.135 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 155.3 | 173.1 | -172.5 | 0 | 0 | 0 | 0 | 110.5 | E499 W500 Y529 Y530 | E499-T511 PolarHBondContact O-OG1 2.88Å; W500-T511 HydrophobicContact CD2-CG2 3.84Å; W500-T511 HydrophobicContact CE3-CG2 3.91Å; W500-T511 HydrophobicContact CH2-CG2 4.05Å; W500-T511 HydrophobicContact CZ2-CG2 3.96Å; W500-T511 HydrophobicContact CZ3-CG2 4.01Å; T511-Y529 CarbonylContact O-C 3.44Å; T511-Y529 WeakPolarHBondContact O-CA 3.4Å; T511-Y529 WeakPolarHBondContact O-CB 3.24Å; T511-Y530 PolarHBondContact N-O 3.3Å; T511-Y530 PolarHBondContact O-N 3.07Å |
| 512 | R | 95.4 | Very high | 93.6 | Very high | 125 Ų | 125 | 72.6 Ų | 72.6 | 47% | 0.472 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 141.6 | -177.9 | -71.3 | -170.1 | -173.8 | 147.6 | 5 | 111.1 | V514 F518 E525 Y529 | R512-V514 PolarHBondContact O-N 3.33Å; R512-F518 HydrophobicContact CB-CE1 4.07Å; R512-F518 HydrophobicContact CB-CE2 3.99Å; R512-F518 HydrophobicContact CB-CZ 3.48Å; R512-F518 VanDerWaalsContact CB-CZ 3.48Å; R512-F518 HydrophobicContact CG-CD1 4.3Å; R512-F518 HydrophobicContact CG-CE1 3.64Å; R512-F518 HydrophobicContact CG-CE2 4.16Å; R512-F518 HydrophobicContact CG-CZ 3.57Å; R512-E525 IonicContact CZ-OE1 2.69Å; R512-E525 IonicContact CZ-OE2 2.76Å; R512-E525 IonicContact NE-OE1 2.7Å; R512-E525 IonicContact NE-OE2 3.14Å; R512-E525 PolarHBondContact NE-OE2 2.86Å; R512-E525 IonicContact NH2-OE1 3.95Å; R512-E525 PolarHBondContact NH2-OE1 2.92Å; R512-E525 IonicContact NH2-OE2 2.73Å; R512-E525 PolarHBondContact NH2-OE2 3.29Å; R512-Y529 HydrophobicContact CG-CD1 4.13Å; R512-Y529 HydrophobicContact CG-CE1 3.76Å |
| 513 | I | 95.7 | Very high | 93.5 | Very high | 27 Ų | 27 | 76.4 Ų | 76.4 | 14% | 0.138 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -74 | 123.9 | 169.3 | -62.5 | -175 | 0 | 0 | 0 | 109.4 | G515 A516 D528 Y530 T541 | I513-G515 PolarHBondContact O-N 2.96Å; I513-A516 HydrophobicContact CB-CB 3.94Å; I513-A516 HydrophobicContact CG2-CB 4.25Å; I513-A516 WeakPolarHBondContact O-CB 3.3Å; I513-A516 PolarHBondContact O-N 3.41Å; I513-A516 VanDerWaalsContact O-N 3.09Å; I513-D528 WeakPolarHBondContact CB-O 3.4Å; I513-D528 HydrophobicContact CD1-CB 4.1Å; I513-D528 WeakPolarHBondContact CG1-O 3.41Å; I513-D528 PolarHBondContact N-O 2.95Å; I513-D528 VanDerWaalsContact N-O 3.11Å; I513-Y530 HydrophobicContact CB-CE2 4.31Å; I513-Y530 HydrophobicContact CD1-CD1 4.01Å; I513-Y530 HydrophobicContact CD1-CE1 3.87Å; I513-Y530 HydrophobicContact CD1-CE2 4.4Å; I513-Y530 HydrophobicContact CD1-CG 4.32Å; I513-Y530 HydrophobicContact CG1-CD1 4.08Å; I513-Y530 HydrophobicContact CG1-CD2 3.74Å; I513-Y530 HydrophobicContact CG1-CE1 4.11Å; I513-Y530 HydrophobicContact CG1-CE2 3.77Å; I513-Y530 HydrophobicContact CG1-CG 3.89Å; I513-Y530 HydrophobicContact CG2-CE2 4.22Å; I513-T541 HydrophobicContact CD1-CG2 3.55Å |
| 514 | V | 92.8 | Very high | 93.4 | Very high | 149 Ų | 149 | 76.9 Ų | 76.9 | 90% | 0.903 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 119.2 | 178.2 | -178.5 | 0 | 0 | 0 | 0 | 109.5 | R512 | R512-V514 PolarHBondContact O-N 3.33Š|
| 515 | G | 90.6 | Very high | 93.4 | Very high | 76 Ų | 76 | 73.3 Ų | 73.3 | 78% | 0.784 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.8 | -2.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | I513 | I513-G515 PolarHBondContact O-N 2.96Š|
| 516 | A | 92.2 | Very high | 93.5 | Very high | 23 Ų | 23 | 71.4 Ų | 71.4 | 19% | 0.19 | 40% | 0.398 | C | S | . | . | trans | -72.2 | 154.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I513 F518 D528 | I513-A516 HydrophobicContact CB-CB 3.94Å; I513-A516 HydrophobicContact CG2-CB 4.25Å; I513-A516 WeakPolarHBondContact O-CB 3.3Å; I513-A516 PolarHBondContact O-N 3.41Å; I513-A516 VanDerWaalsContact O-N 3.09Å; A516-F518 HydrophobicContact CB-CE2 3.81Å; A516-F518 HydrophobicContact CB-CZ 4.01Å; A516-F518 VanDerWaalsContact O-CD2 3.31Å; A516-F518 WeakPolarHBondContact O-CD2 3.41Å; A516-F518 WeakPolarHBondContact O-CE2 3.06Å; A516-D528 HydrophobicContact CB-CB 4.06Å | ||
| 517 | N | 91.1 | Very high | 93.7 | Very high | 148 Ų | 148 | 65.9 Ų | 65.9 | 79% | 0.791 | 37% | 0.373 | S | S | * | . | trans | -89 | 129.8 | 176.5 | -68.6 | -71.2 | 0 | 0 | 0 | 110.2 | ||||
| 518 | F | 93.1 | Very high | 93.8 | Very high | 57 Ų | 57 | 65 Ų | 65 | 25% | 0.25 | 37% | 0.371 | C | S | . | . | trans | -115.7 | 131.3 | 179.1 | -65.2 | -90.1 | 0 | 0 | 0 | 110.8 | R512 A516 Q526 D528 Y529 | R512-F518 HydrophobicContact CB-CE1 4.07Å; R512-F518 HydrophobicContact CB-CE2 3.99Å; R512-F518 HydrophobicContact CB-CZ 3.48Å; R512-F518 VanDerWaalsContact CB-CZ 3.48Å; R512-F518 HydrophobicContact CG-CD1 4.3Å; R512-F518 HydrophobicContact CG-CE1 3.64Å; R512-F518 HydrophobicContact CG-CE2 4.16Å; R512-F518 HydrophobicContact CG-CZ 3.57Å; A516-F518 HydrophobicContact CB-CE2 3.81Å; A516-F518 HydrophobicContact CB-CZ 4.01Å; A516-F518 VanDerWaalsContact O-CD2 3.31Å; A516-F518 WeakPolarHBondContact O-CD2 3.41Å; A516-F518 WeakPolarHBondContact O-CE2 3.06Å; F518-Q526 CarbonylContact C-O 3.55Å; F518-Q526 WeakPolarHBondContact CA-O 3.15Å; F518-D528 VanDerWaalsContact CZ-O 3.27Å; F518-D528 WeakPolarHBondContact CZ-O 3.48Å; F518-Y529 HydrophobicContact CD1-CE1 4.5Å; F518-Y529 HydrophobicContact CE1-CD1 4.35Å; F518-Y529 AromaticContact CE1-CE1 3.83Å; F518-Y529 HydrophobicContact CE1-CE1 3.83Å; F518-Y529 HydrophobicContact CE1-CE2 4.12Å; F518-Y529 AromaticContact CE1-CZ 3.69Å | ||
| 519 | T | 92.2 | Very high | 93.9 | Very high | 105 Ų | 105 | 64.3 Ų | 64.3 | 64% | 0.644 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 102.5 | 172.6 | -59.4 | 0 | 0 | 0 | 0 | 108.2 | E525 Q526 | T519-E525 WeakPolarHBondContact O-CA 3.18Å; T519-Q526 PolarHBondContact N-O 3.28Å; T519-Q526 PolarHBondContact O-N 3.47Å |
| 520 | S | 91.2 | Very high | 93.9 | Very high | 82 Ų | 82 | 68.1 Ų | 68.1 | 57% | 0.573 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 132.8 | -179 | 60.6 | 0 | 0 | 0 | 0 | 112.3 | ||
| 521 | D | 91.4 | Very high | 93.9 | Very high | 81 Ų | 81 | 69.7 Ų | 69.7 | 43% | 0.433 | 39% | 0.388 | S | S | . | . | trans | -105.2 | -166.4 | 164.6 | 71.2 | -92.6 | 0 | 0 | 0 | 110.9 | N523 S524 | D521-N523 VanDerWaalsContact C-N 3.28Å; D521-N523 PolarHBondContact O-N 2.77Å; D521-N523 WeakPolarHBondContact OD2-CA 3.05Å; D521-N523 PolarHBondContact OD2-N 3.48Å; D521-S524 PolarHBondContact N-O 2.97Å; D521-S524 WeakPolarHBondContact OD1-CA 3.48Å; D521-S524 WeakPolarHBondContact OD1-CB 3.32Å; D521-S524 PolarHBondContact OD1-N 3.47Å; D521-S524 VanDerWaalsContact OD1-O 3.1Å; D521-S524 PolarHBondContact OD1-OG 3Å; D521-S524 PolarHBondContact OD2-N 3.19Å; D521-S524 PolarHBondContact OD2-OG 3.03Å | ||
| 522 | N | 91.3 | Very high | 93.9 | Very high | 153 Ų | 153 | 69.6 Ų | 69.6 | 82% | 0.818 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -70.6 | -22 | -179.2 | -71.8 | -17.5 | 0 | 0 | 0 | 113.8 | ||
| 523 | N | 93.6 | Very high | 93.8 | Very high | 107 Ų | 107 | 64.4 Ų | 64.4 | 57% | 0.572 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -129.6 | -21.6 | -168.1 | -71.4 | 104.2 | 0 | 0 | 0 | 113.6 | D521 L547 Y548 | D521-N523 VanDerWaalsContact C-N 3.28Å; D521-N523 PolarHBondContact O-N 2.77Å; D521-N523 WeakPolarHBondContact OD2-CA 3.05Å; D521-N523 PolarHBondContact OD2-N 3.48Å; N523-L547 HydrophobicContact CB-CD1 4.27Å; N523-L547 WeakPolarHBondContact O-CD1 3.5Å; N523-Y548 WeakPolarHBondContact O-CD2 3.34Å; N523-Y548 PolarHBondContact O-N 2.92Å |
| 524 | S | 94.3 | Very high | 93.6 | Very high | 19 Ų | 19 | 64.2 Ų | 64.2 | 13% | 0.133 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 170.4 | 175.3 | 29.9 | 0 | 0 | 0 | 0 | 114.3 | D521 I546 Y548 | D521-S524 PolarHBondContact N-O 2.97Å; D521-S524 WeakPolarHBondContact OD1-CA 3.48Å; D521-S524 WeakPolarHBondContact OD1-CB 3.32Å; D521-S524 PolarHBondContact OD1-N 3.47Å; D521-S524 VanDerWaalsContact OD1-O 3.1Å; D521-S524 PolarHBondContact OD1-OG 3Å; D521-S524 PolarHBondContact OD2-N 3.19Å; D521-S524 PolarHBondContact OD2-OG 3.03Å; S524-I546 CarbonylContact C-O 3.3Å; S524-I546 WeakPolarHBondContact CA-O 3.43Å; S524-I546 WeakPolarHBondContact CB-O 3.32Å; S524-Y548 PolarHBondContact O-OH 3.17Å |
| 525 | E | 94.6 | Very high | 93.5 | Very high | 13 Ų | 13 | 61.3 Ų | 61.3 | 6% | 0.061 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 133 | 166.5 | 50.4 | 167.8 | 142 | 0 | 0 | 111.9 | R512 T519 Y529 T545 I546 Y548 | R512-E525 IonicContact CZ-OE1 2.69Å; R512-E525 IonicContact CZ-OE2 2.76Å; R512-E525 IonicContact NE-OE1 2.7Å; R512-E525 IonicContact NE-OE2 3.14Å; R512-E525 PolarHBondContact NE-OE2 2.86Å; R512-E525 IonicContact NH2-OE1 3.95Å; R512-E525 PolarHBondContact NH2-OE1 2.92Å; R512-E525 IonicContact NH2-OE2 2.73Å; R512-E525 PolarHBondContact NH2-OE2 3.29Å; T519-E525 WeakPolarHBondContact O-CA 3.18Å; E525-Y529 WeakPolarHBondContact CG-OH 3.47Å; E525-Y529 PolarHBondContact O-OH 3.23Å; E525-Y529 PolarHBondContact OE2-OH 3.18Å; E525-Y529 VanDerWaalsContact OE2-OH 3.14Å; E525-T545 CarbonylContact O-C 3.41Å; E525-T545 WeakPolarHBondContact O-CA 3.21Å; E525-I546 HydrophobicContact CG-CB 4.13Å; E525-I546 PolarHBondContact N-O 3.03Å; E525-I546 PolarHBondContact O-N 3.24Å; E525-Y548 HydrophobicContact CB-CE1 4.39Å; E525-Y548 HydrophobicContact CG-CE1 3.7Å; E525-Y548 WeakPolarHBondContact OE1-CE1 3.41Å |
| 526 | Q | 95 | Very high | 93.6 | Very high | 92 Ų | 92 | 64 Ų | 64 | 43% | 0.43 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 133.2 | 174.7 | -175.1 | 176.3 | -1.4 | 0 | 0 | 110.7 | F518 T519 M544 T545 | F518-Q526 CarbonylContact C-O 3.55Å; F518-Q526 WeakPolarHBondContact CA-O 3.15Å; T519-Q526 PolarHBondContact N-O 3.28Å; T519-Q526 PolarHBondContact O-N 3.47Å; Q526-M544 WeakPolarHBondContact CA-O 3.41Å; Q526-T545 HydrophobicContact CB-CG2 4.31Å; Q526-T545 WeakPolarHBondContact CG-OG1 3.32Å |
| 527 | G | 94.8 | Very high | 93.6 | Very high | 3 Ų | 3 | 65.1 Ų | 65.1 | 3% | 0.031 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.4 | -167.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y529 Q543 M544 | G527-Y529 VanDerWaalsContact O-CD2 3.27Å; G527-Y529 WeakPolarHBondContact O-CD2 3.48Å; G527-Y529 VanDerWaalsContact O-CE2 3.24Å; G527-Y529 WeakPolarHBondContact O-CE2 3.4Å; G527-Q543 WeakPolarHBondContact O-CA 3.47Å; G527-M544 PolarHBondContact N-O 2.99Å; G527-M544 VanDerWaalsContact N-O 3.16Å; G527-M544 PolarHBondContact O-N 2.87Å |
| 528 | D | 96.2 | Very high | 93.8 | Very high | 49 Ų | 49 | 62.5 Ų | 62.5 | 26% | 0.262 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 125.8 | -177.9 | -52.3 | -47.5 | 0 | 0 | 0 | 111 | I513 A516 F518 Q543 | I513-D528 WeakPolarHBondContact CB-O 3.4Å; I513-D528 HydrophobicContact CD1-CB 4.1Å; I513-D528 WeakPolarHBondContact CG1-O 3.41Å; I513-D528 PolarHBondContact N-O 2.95Å; I513-D528 VanDerWaalsContact N-O 3.11Å; A516-D528 HydrophobicContact CB-CB 4.06Å; F518-D528 VanDerWaalsContact CZ-O 3.27Å; F518-D528 WeakPolarHBondContact CZ-O 3.48Å; D528-Q543 VanDerWaalsContact OD1-CB 3.3Å; D528-Q543 WeakPolarHBondContact OD1-CB 3.48Å; D528-Q543 WeakPolarHBondContact OD1-CG 3.35Å; D528-Q543 PolarHBondContact OD1-NE2 2.83Å |
| 529 | Y | 96.8 | Very high | 93.8 | Very high | 7 Ų | 7 | 64 Ų | 64 | 3% | 0.027 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 146.8 | -176.1 | -59.8 | -92.8 | 0 | 0 | 0 | 111 | L510 T511 R512 F518 E525 G527 T541 H542 M544 I546 | L510-Y529 HydrophobicContact CD1-CD1 3.82Å; L510-Y529 HydrophobicContact CD1-CE1 4.23Å; L510-Y529 HydrophobicContact CD1-CG 4.48Å; T511-Y529 CarbonylContact O-C 3.44Å; T511-Y529 WeakPolarHBondContact O-CA 3.4Å; T511-Y529 WeakPolarHBondContact O-CB 3.24Å; R512-Y529 HydrophobicContact CG-CD1 4.13Å; R512-Y529 HydrophobicContact CG-CE1 3.76Å; F518-Y529 HydrophobicContact CD1-CE1 4.5Å; F518-Y529 HydrophobicContact CE1-CD1 4.35Å; F518-Y529 AromaticContact CE1-CE1 3.83Å; F518-Y529 HydrophobicContact CE1-CE1 3.83Å; F518-Y529 HydrophobicContact CE1-CE2 4.12Å; F518-Y529 AromaticContact CE1-CZ 3.69Å; E525-Y529 WeakPolarHBondContact CG-OH 3.47Å; E525-Y529 PolarHBondContact O-OH 3.23Å; E525-Y529 PolarHBondContact OE2-OH 3.18Å; E525-Y529 VanDerWaalsContact OE2-OH 3.14Å; G527-Y529 VanDerWaalsContact O-CD2 3.27Å; G527-Y529 WeakPolarHBondContact O-CD2 3.48Å; G527-Y529 VanDerWaalsContact O-CE2 3.24Å; G527-Y529 WeakPolarHBondContact O-CE2 3.4Å; Y529-T541 WeakPolarHBondContact O-CA 3.41Å; Y529-H542 PolarHBondContact N-O 3.36Å; Y529-H542 PolarHBondContact O-N 3.2Å; Y529-M544 HydrophobicContact CD2-CB 4.03Å; Y529-M544 HydrophobicContact CE2-CB 4.28Å; Y529-M544 WeakPolarHBondContact CE2-O 3.39Å; Y529-I546 HydrophobicContact CD2-CG1 4.38Å; Y529-I546 HydrophobicContact CE1-CG1 3.97Å; Y529-I546 HydrophobicContact CE2-CD1 4.38Å; Y529-I546 HydrophobicContact CE2-CG1 3.7Å; Y529-I546 VanDerWaalsContact CZ-CG1 3.46Å |
| 530 | Y | 96.8 | Very high | 94 | Very high | 86 Ų | 86 | 60 Ų | 60 | 34% | 0.337 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 133.9 | 154.8 | -68.5 | -55 | 0 | 0 | 0 | 108.4 | L510 T511 I513 K539 S540 T541 | L510-Y530 CarbonylContact C-O 3.58Å; L510-Y530 WeakPolarHBondContact CA-O 3.38Å; T511-Y530 PolarHBondContact N-O 3.3Å; T511-Y530 PolarHBondContact O-N 3.07Å; I513-Y530 HydrophobicContact CB-CE2 4.31Å; I513-Y530 HydrophobicContact CD1-CD1 4.01Å; I513-Y530 HydrophobicContact CD1-CE1 3.87Å; I513-Y530 HydrophobicContact CD1-CE2 4.4Å; I513-Y530 HydrophobicContact CD1-CG 4.32Å; I513-Y530 HydrophobicContact CG1-CD1 4.08Å; I513-Y530 HydrophobicContact CG1-CD2 3.74Å; I513-Y530 HydrophobicContact CG1-CE1 4.11Å; I513-Y530 HydrophobicContact CG1-CE2 3.77Å; I513-Y530 HydrophobicContact CG1-CG 3.89Å; I513-Y530 HydrophobicContact CG2-CE2 4.22Å; Y530-K539 HydrophobicContact CD1-CG 4.23Å; Y530-K539 HydrophobicContact CG-CD 4.47Å; Y530-K539 HydrophobicContact CG-CG 4.27Å; Y530-S540 CarbonylContact C-O 3.47Å; Y530-S540 WeakPolarHBondContact CA-O 3.36Å; Y530-T541 WeakPolarHBondContact CE1-OG1 3.17Å |
| 531 | F | 95.7 | Very high | 94.2 | Very high | 39 Ų | 39 | 60.2 Ų | 60.2 | 17% | 0.171 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 155 | 167.3 | 76.4 | -80.2 | 0 | 0 | 0 | 110.5 | I508 W509 L510 D533 S540 H542 | I508-F531 HydrophobicContact CD1-CB 4.02Å; I508-F531 HydrophobicContact CD1-CD2 3.96Å; I508-F531 HydrophobicContact CD1-CG 4.17Å; I508-F531 HydrophobicContact CG2-CD2 4.48Å; W509-F531 CarbonylContact O-C 3.44Å; W509-F531 VanDerWaalsContact O-CA 3.27Å; W509-F531 WeakPolarHBondContact O-CA 3.35Å; L510-F531 HydrophobicContact CB-CB 4.12Å; F531-D533 HydrophobicContact CE2-CB 4.02Å; F531-S540 VanDerWaalsContact CD1-O 3.25Å; F531-S540 WeakPolarHBondContact CD1-O 3.4Å; F531-S540 PolarHBondContact N-O 3.47Å; F531-S540 PolarHBondContact O-N 2.97Å; F531-H542 HydrophobicContact CD1-CB 3.88Å; F531-H542 HydrophobicContact CE1-CB 3.75Å |
| 532 | W | 96.9 | Very high | 94.3 | Very high | 21 Ų | 21 | 61.2 Ų | 61.2 | 8% | 0.08 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 121.9 | 170.2 | -174.4 | -94.8 | 0 | 0 | 0 | 110.2 | E473 F476 Y480 W509 P534 A537 K539 | E473-W532 HydrophobicContact CB-CH2 3.97Å; E473-W532 HydrophobicContact CB-CZ3 4.46Å; E473-W532 HydrophobicContact CG-CH2 3.83Å; E473-W532 HydrophobicContact CG-CZ2 4.36Å; F476-W532 HydrophobicContact CB-CD2 3.97Å; F476-W532 HydrophobicContact CB-CG 4.02Å; F476-W532 HydrophobicContact CB-CZ2 4.22Å; F476-W532 HydrophobicContact CD1-CB 4.16Å; F476-W532 HydrophobicContact CD1-CG 4.05Å; F476-W532 HydrophobicContact CD2-CB 4.01Å; F476-W532 AromaticContact CD2-CD2 3.19Å; F476-W532 HydrophobicContact CD2-CD2 3.19Å; F476-W532 AromaticContact CD2-CE2 3.74Å; F476-W532 AromaticContact CD2-CE3 3.3Å; F476-W532 HydrophobicContact CD2-CE3 3.3Å; F476-W532 AromaticContact CD2-CG 3.52Å; F476-W532 HydrophobicContact CD2-CG 3.52Å; F476-W532 HydrophobicContact CD2-CH2 4.36Å; F476-W532 HydrophobicContact CD2-CZ2 4.28Å; F476-W532 AromaticContact CD2-CZ3 3.91Å; F476-W532 HydrophobicContact CD2-CZ3 3.91Å; F476-W532 HydrophobicContact CE1-CB 4.1Å; F476-W532 HydrophobicContact CE1-CG 4.44Å; F476-W532 HydrophobicContact CE2-CB 3.93Å; F476-W532 AromaticContact CE2-CD2 3.77Å; F476-W532 HydrophobicContact CE2-CD2 3.77Å; F476-W532 AromaticContact CE2-CE3 3.57Å; F476-W532 HydrophobicContact CE2-CE3 3.57Å; F476-W532 AromaticContact CE2-CG 3.95Å; F476-W532 HydrophobicContact CE2-CG 3.95Å; F476-W532 HydrophobicContact CE2-CZ3 4.34Å; F476-W532 HydrophobicContact CG-CB 4.13Å; F476-W532 AromaticContact CG-CD1 3.86Å; F476-W532 AromaticContact CG-CD2 3.67Å; F476-W532 HydrophobicContact CG-CD2 3.67Å; F476-W532 AromaticContact CG-CE2 3.94Å; F476-W532 HydrophobicContact CG-CE3 4.24Å; F476-W532 AromaticContact CG-CG 3.59Å; F476-W532 HydrophobicContact CG-CG 3.59Å; F476-W532 HydrophobicContact CZ-CB 3.98Å; F476-W532 HydrophobicContact CZ-CG 4.38Å; Y480-W532 AromaticContact CE2-CD1 3.69Å; W509-W532 PolarHBondContact O-N 3.43Å; W532-P534 VanDerWaalsContact O-CD 3.31Å; W532-P534 WeakPolarHBondContact O-CD 3.49Å; W532-A537 VanDerWaalsContact CH2-C 3.48Å; W532-A537 VanDerWaalsContact CH2-O 3.27Å; W532-A537 WeakPolarHBondContact CH2-O 3.45Å; W532-A537 HydrophobicContact CZ2-CB 4.11Å; W532-A537 WeakPolarHBondContact CZ2-O 3.42Å; W532-K539 HydrophobicContact CE3-CB 4.32Å; W532-K539 HydrophobicContact CZ3-CB 4.44Å |
| 533 | D | 94.5 | Very high | 94.4 | Very high | 16 Ų | 16 | 59.5 Ų | 59.5 | 9% | 0.086 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 108.1 | 169.7 | -176 | -34.8 | 0 | 0 | 0 | 108.8 | F531 V535 K536 A537 Q538 | F531-D533 HydrophobicContact CE2-CB 4.02Å; D533-V535 VanDerWaalsContact C-N 3.28Å; D533-V535 PolarHBondContact O-N 2.94Å; D533-V535 PolarHBondContact OD1-N 2.88Å; D533-K536 HydrophobicContact CB-CB 4.25Å; D533-K536 PolarHBondContact OD1-N 3.3Å; D533-K536 WeakPolarHBondContact OD2-CD 3.12Å; D533-K536 WeakPolarHBondContact OD2-CG 3.45Å; D533-K536 IonicContact OD2-NZ 3.68Å; D533-K536 PolarHBondContact OD2-NZ 2.75Å; D533-A537 VanDerWaalsContact O-CA 3.3Å; D533-A537 WeakPolarHBondContact O-CA 3.24Å; D533-A537 PolarHBondContact O-N 3.06Å; D533-Q538 HydrophobicContact CB-CG 4.39Å; D533-Q538 PolarHBondContact N-O 3.23Å; D533-Q538 PolarHBondContact O-N 3.49Å |
| 534 | P | 91.4 | Very high | 94.3 | Very high | 22 Ų | 22 | 56.2 Ų | 56.2 | 14% | 0.143 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -21.2 | -177.5 | 29.2 | -34.6 | 0 | 0 | 0 | 113.5 | T170 M172 Y480 W532 | T170-P534 HydrophobicContact CG2-CG 4.46Å; M172-P534 VanDerWaalsContact CE-O 3.25Å; M172-P534 WeakPolarHBondContact CE-O 3.47Å; M172-P534 VanDerWaalsContact SD-O 3.37Å; Y480-P534 HydrophobicContact CD1-CB 4.16Å; Y480-P534 HydrophobicContact CD2-CB 3.87Å; Y480-P534 HydrophobicContact CE1-CB 4.05Å; Y480-P534 HydrophobicContact CE1-CG 4.25Å; Y480-P534 HydrophobicContact CE2-CB 3.79Å; Y480-P534 HydrophobicContact CG-CB 4.08Å; W532-P534 VanDerWaalsContact O-CD 3.31Å; W532-P534 WeakPolarHBondContact O-CD 3.49Å |
| 535 | V | 90 | Very high | 94.4 | Very high | 88 Ų | 88 | 59 Ų | 59 | 53% | 0.533 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -37.3 | -177.4 | -178.2 | 0 | 0 | 0 | 0 | 111 | T170 D533 | T170-V535 HydrophobicContact CG2-CG2 4.45Å; D533-V535 VanDerWaalsContact C-N 3.28Å; D533-V535 PolarHBondContact O-N 2.94Å; D533-V535 PolarHBondContact OD1-N 2.88Å |
| 536 | K | 92.5 | Very high | 94.3 | Very high | 132 Ų | 132 | 58.4 Ų | 58.4 | 57% | 0.574 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -10.1 | 172.9 | -60.5 | -170.9 | -163.6 | 81.4 | 0 | 113.6 | D533 Q538 | D533-K536 HydrophobicContact CB-CB 4.25Å; D533-K536 PolarHBondContact OD1-N 3.3Å; D533-K536 WeakPolarHBondContact OD2-CD 3.12Å; D533-K536 WeakPolarHBondContact OD2-CG 3.45Å; D533-K536 IonicContact OD2-NZ 3.68Å; D533-K536 PolarHBondContact OD2-NZ 2.75Å; K536-Q538 VanDerWaalsContact C-N 3.31Å; K536-Q538 HydrophobicContact CB-CG 3.84Å; K536-Q538 PolarHBondContact O-N 3.03Å |
| 537 | A | 92.5 | Very high | 94.3 | Very high | 48 Ų | 48 | 57 Ų | 57 | 40% | 0.397 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 47 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | W532 D533 | W532-A537 VanDerWaalsContact CH2-C 3.48Å; W532-A537 VanDerWaalsContact CH2-O 3.27Å; W532-A537 WeakPolarHBondContact CH2-O 3.45Å; W532-A537 HydrophobicContact CZ2-CB 4.11Å; W532-A537 WeakPolarHBondContact CZ2-O 3.42Å; D533-A537 VanDerWaalsContact O-CA 3.3Å; D533-A537 WeakPolarHBondContact O-CA 3.24Å; D533-A537 PolarHBondContact O-N 3.06Å |
| 538 | Q | 94.5 | Very high | 94.2 | Very high | 93 Ų | 93 | 61.2 Ų | 61.2 | 44% | 0.435 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 150.5 | -176.3 | 79.9 | -178.4 | 28.6 | 0 | 0 | 113.2 | D533 K536 S540 | D533-Q538 HydrophobicContact CB-CG 4.39Å; D533-Q538 PolarHBondContact N-O 3.23Å; D533-Q538 PolarHBondContact O-N 3.49Å; K536-Q538 VanDerWaalsContact C-N 3.31Å; K536-Q538 HydrophobicContact CB-CG 3.84Å; K536-Q538 PolarHBondContact O-N 3.03Å; Q538-S540 WeakPolarHBondContact CG-OG 3.21Å; Q538-S540 PolarHBondContact NE2-OG 2.93Å; Q538-S540 VanDerWaalsContact NE2-OG 3.08Å |
| 539 | K | 94.7 | Very high | 94.1 | Very high | 89 Ų | 89 | 62.4 Ų | 62.4 | 39% | 0.387 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 120.1 | 168.6 | -163.7 | 165.4 | -171.3 | 166.3 | 0 | 109.1 | E472 W500 Y530 W532 | E472-K539 IonicContact OE1-NZ 2.73Å; E472-K539 IonicContact OE2-NZ 3.46Å; E472-K539 PolarHBondContact OE2-NZ 2.87Å; W500-K539 HydrophobicContact CH2-CD 4.15Å; W500-K539 HydrophobicContact CH2-CG 4.22Å; W500-K539 HydrophobicContact CZ2-CD 4.25Å; Y530-K539 HydrophobicContact CD1-CG 4.23Å; Y530-K539 HydrophobicContact CG-CD 4.47Å; Y530-K539 HydrophobicContact CG-CG 4.27Å; W532-K539 HydrophobicContact CE3-CB 4.32Å; W532-K539 HydrophobicContact CZ3-CB 4.44Å |
| 540 | S | 94.7 | Very high | 94 | Very high | 19 Ų | 19 | 63.2 Ų | 63.2 | 13% | 0.133 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 152 | -176.8 | -62.1 | 0 | 0 | 0 | 0 | 110.8 | Y530 F531 Q538 | Y530-S540 CarbonylContact C-O 3.47Å; Y530-S540 WeakPolarHBondContact CA-O 3.36Å; F531-S540 VanDerWaalsContact CD1-O 3.25Å; F531-S540 WeakPolarHBondContact CD1-O 3.4Å; F531-S540 PolarHBondContact N-O 3.47Å; F531-S540 PolarHBondContact O-N 2.97Å; Q538-S540 WeakPolarHBondContact CG-OG 3.21Å; Q538-S540 PolarHBondContact NE2-OG 2.93Å; Q538-S540 VanDerWaalsContact NE2-OG 3.08Å |
| 541 | T | 95.5 | Very high | 93.9 | Very high | 88 Ų | 88 | 60.1 Ų | 60.1 | 54% | 0.54 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 135.8 | 176.2 | -65.8 | 0 | 0 | 0 | 0 | 110.7 | I513 Y529 Y530 | I513-T541 HydrophobicContact CD1-CG2 3.55Å; Y529-T541 WeakPolarHBondContact O-CA 3.41Å; Y530-T541 WeakPolarHBondContact CE1-OG1 3.17Å |
| 542 | H | 93.3 | Very high | 93.7 | Very high | 101 Ų | 101 | 62 Ų | 62 | 47% | 0.468 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 141.5 | 169.5 | -162.5 | 37.4 | 0 | 0 | 0 | 112 | Y529 F531 | Y529-H542 PolarHBondContact N-O 3.36Å; Y529-H542 PolarHBondContact O-N 3.2Å; F531-H542 HydrophobicContact CD1-CB 3.88Å; F531-H542 HydrophobicContact CE1-CB 3.75Å |
| 543 | Q | 94.7 | Very high | 93.1 | Very high | 118 Ų | 118 | 66.9 Ų | 66.9 | 55% | 0.551 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 123.8 | 169.3 | -173.9 | 165.5 | 101.4 | 0 | 0 | 108.7 | G527 D528 | G527-Q543 WeakPolarHBondContact O-CA 3.47Å; D528-Q543 VanDerWaalsContact OD1-CB 3.3Å; D528-Q543 WeakPolarHBondContact OD1-CB 3.48Å; D528-Q543 WeakPolarHBondContact OD1-CG 3.35Å; D528-Q543 PolarHBondContact OD1-NE2 2.83Å |
| 544 | M | 92 | Very high | 92.4 | Very high | 38 Ų | 38 | 68.8 Ų | 68.8 | 19% | 0.187 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 152.4 | -174.1 | -161.9 | 176.2 | -70 | 0 | 0 | 110.9 | I508 Q526 G527 Y529 I546 | I508-M544 HydrophobicContact CD1-CE 4.33Å; Q526-M544 WeakPolarHBondContact CA-O 3.41Å; G527-M544 PolarHBondContact N-O 2.99Å; G527-M544 VanDerWaalsContact N-O 3.16Å; G527-M544 PolarHBondContact O-N 2.87Å; Y529-M544 HydrophobicContact CD2-CB 4.03Å; Y529-M544 HydrophobicContact CE2-CB 4.28Å; Y529-M544 WeakPolarHBondContact CE2-O 3.39Å; M544-I546 HydrophobicContact CB-CD1 4.04Å; M544-I546 HydrophobicContact CG-CD1 3.72Å; M544-I546 HydrophobicContact SD-CD1 3.35Å; M544-I546 WeakPolarHBondContact SD-CD1 3.43Å |
| 545 | T | 94.5 | Very high | 91.4 | Very high | 78 Ų | 78 | 69.3 Ų | 69.3 | 48% | 0.479 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 105.1 | 165.2 | -56.6 | 0 | 0 | 0 | 0 | 108.2 | E525 Q526 | E525-T545 CarbonylContact O-C 3.41Å; E525-T545 WeakPolarHBondContact O-CA 3.21Å; Q526-T545 HydrophobicContact CB-CG2 4.31Å; Q526-T545 WeakPolarHBondContact CG-OG1 3.32Å |
| 546 | I | 94 | Very high | 90.4 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 124.2 | -178.8 | -53.8 | -60.5 | 0 | 0 | 0 | 109 | L510 S524 E525 Y529 M544 L551 | L510-I546 HydrophobicContact CD1-CD1 4.37Å; L510-I546 HydrophobicContact CD2-CD1 3.6Å; S524-I546 CarbonylContact C-O 3.3Å; S524-I546 WeakPolarHBondContact CA-O 3.43Å; S524-I546 WeakPolarHBondContact CB-O 3.32Å; E525-I546 HydrophobicContact CG-CB 4.13Å; E525-I546 PolarHBondContact N-O 3.03Å; E525-I546 PolarHBondContact O-N 3.24Å; Y529-I546 HydrophobicContact CD2-CG1 4.38Å; Y529-I546 HydrophobicContact CE1-CG1 3.97Å; Y529-I546 HydrophobicContact CE2-CD1 4.38Å; Y529-I546 HydrophobicContact CE2-CG1 3.7Å; Y529-I546 VanDerWaalsContact CZ-CG1 3.46Å; M544-I546 HydrophobicContact CB-CD1 4.04Å; M544-I546 HydrophobicContact CG-CD1 3.72Å; M544-I546 HydrophobicContact SD-CD1 3.35Å; M544-I546 WeakPolarHBondContact SD-CD1 3.43Å; I546-L551 HydrophobicContact CG2-CD1 3.79Å; I546-L551 HydrophobicContact CG2-CD2 3.71Å; I546-L551 HydrophobicContact CG2-CG 3.58Å |
| 547 | L | 94.4 | Very high | 88.9 | Confident | 62 Ų | 62 | 64.9 Ų | 64.9 | 33% | 0.325 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 126.6 | 168.7 | -168.6 | 72.4 | 0 | 0 | 0 | 108.6 | N523 S549 D550 | N523-L547 HydrophobicContact CB-CD1 4.27Å; N523-L547 WeakPolarHBondContact O-CD1 3.5Å; L547-S549 WeakPolarHBondContact CD2-OG 3.37Å; L547-S549 WeakPolarHBondContact CG-OG 3.23Å; L547-S549 PolarHBondContact O-N 2.93Å; L547-D550 HydrophobicContact CB-CB 4.42Å; L547-D550 WeakPolarHBondContact O-CB 3.28Å; L547-D550 PolarHBondContact O-N 3.06Å |
| 548 | Y | 93.7 | Very high | 87.5 | Confident | 91 Ų | 91 | 66.3 Ų | 66.3 | 36% | 0.357 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -23.2 | -174.1 | -59.5 | -57 | 0 | 0 | 0 | 113.3 | N523 S524 E525 D550 | N523-Y548 WeakPolarHBondContact O-CD2 3.34Å; N523-Y548 PolarHBondContact O-N 2.92Å; S524-Y548 PolarHBondContact O-OH 3.17Å; E525-Y548 HydrophobicContact CB-CE1 4.39Å; E525-Y548 HydrophobicContact CG-CE1 3.7Å; E525-Y548 WeakPolarHBondContact OE1-CE1 3.41Å; Y548-D550 VanDerWaalsContact C-N 3.26Å; Y548-D550 PolarHBondContact O-N 3.11Å |
| 549 | S | 93.8 | Very high | 86 | Confident | 75 Ų | 75 | 68.6 Ų | 68.6 | 52% | 0.524 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -20.6 | 173.2 | 60.5 | 0 | 0 | 0 | 0 | 114 | K504 L547 | K504-S549 WeakPolarHBondContact CE-O 3.48Å; K504-S549 PolarHBondContact NZ-O 3.01Å; L547-S549 WeakPolarHBondContact CD2-OG 3.37Å; L547-S549 WeakPolarHBondContact CG-OG 3.23Å; L547-S549 PolarHBondContact O-N 2.93Å |
| 550 | D | 94.1 | Very high | 84.4 | Confident | 23 Ų | 23 | 65.8 Ų | 65.8 | 12% | 0.123 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -17.7 | -176.5 | -61.5 | -14.3 | 0 | 0 | 0 | 112.1 | K504 K505 L547 Y548 | K504-D550 WeakPolarHBondContact CB-O 3.48Å; K504-D550 VanDerWaalsContact CE-O 3.29Å; K504-D550 WeakPolarHBondContact CE-O 3.41Å; K504-D550 WeakPolarHBondContact CG-O 3.45Å; K504-D550 PolarHBondContact N-O 3.4Å; K505-D550 HydrophobicContact CD-CB 4.38Å; K505-D550 WeakPolarHBondContact CE-OD1 3.47Å; K505-D550 VanDerWaalsContact CE-OD2 3.3Å; K505-D550 WeakPolarHBondContact CE-OD2 3.3Å; K505-D550 IonicContact NZ-OD1 2.94Å; K505-D550 PolarHBondContact NZ-OD1 2.84Å; K505-D550 IonicContact NZ-OD2 2.66Å; K505-D550 PolarHBondContact NZ-OD2 3.5Å; L547-D550 HydrophobicContact CB-CB 4.42Å; L547-D550 WeakPolarHBondContact O-CB 3.28Å; L547-D550 PolarHBondContact O-N 3.06Å; Y548-D550 VanDerWaalsContact C-N 3.26Å; Y548-D550 PolarHBondContact O-N 3.11Å |
| 551 | L | 93.8 | Very high | 82.8 | Confident | 22 Ų | 22 | 70.1 Ų | 70.1 | 12% | 0.115 | 39% | 0.394 | C | S | . | . | B | Isolated β-bridge | trans | -72.7 | 148.5 | 165.1 | -64.1 | -176.8 | 0 | 0 | 0 | 111.4 | R501 F502 H503 K504 L510 I546 | R501-L551 HydrophobicContact CB-CD1 4.18Å; R501-L551 HydrophobicContact CB-CD2 3.96Å; R501-L551 HydrophobicContact CG-CD1 4.35Å; F502-L551 CarbonylContact O-C 3.58Å; F502-L551 WeakPolarHBondContact O-CA 3.48Å; H503-L551 HydrophobicContact CB-CD2 4.22Å; K504-L551 VanDerWaalsContact CE-O 3.32Å; K504-L551 WeakPolarHBondContact CE-O 3.46Å; K504-L551 PolarHBondContact NZ-O 3.16Å; L510-L551 HydrophobicContact CD1-CD2 4.39Å; I546-L551 HydrophobicContact CG2-CD1 3.79Å; I546-L551 HydrophobicContact CG2-CD2 3.71Å; I546-L551 HydrophobicContact CG2-CG 3.58Å |
| 552 | D | 91.7 | Very high | 80.9 | Confident | 78 Ų | 78 | 68.7 Ų | 68.7 | 42% | 0.417 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -85.9 | 157.5 | 167.6 | -147.1 | -9 | 0 | 0 | 0 | 112.5 | F502 K504 | F502-D552 HydrophobicContact CB-CB 4.36Å; F502-D552 PolarHBondContact O-N 2.64Å; K504-D552 HydrophobicContact CD-CB 3.92Å; K504-D552 HydrophobicContact CG-CB 3.88Å |
| 553 | N | 85.1 | Confident | 79.1 | Confident | 124 Ų | 124 | 67.4 Ų | 67.4 | 66% | 0.663 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -79.6 | 172.4 | 176.3 | -66.3 | -83.8 | 0 | 0 | 0 | 110.9 | P555 | N553-P555 WeakPolarHBondContact O-CD 3.17Š|
| 554 | A | 79 | Confident | 77.2 | Confident | 55 Ų | 55 | 63.2 Ų | 63.2 | 46% | 0.455 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 127.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y496 | Y496-A554 HydrophobicContact CD1-CB 3.85Å; Y496-A554 HydrophobicContact CD2-CB 4.3Å; Y496-A554 HydrophobicContact CE1-CB 3.61Å; Y496-A554 HydrophobicContact CE2-CB 4.07Å; Y496-A554 HydrophobicContact CG-CB 4.2Å |
| 555 | P | 71.7 | Confident | 75.3 | Confident | 33 Ų | 33 | 63.5 Ų | 63.5 | 21% | 0.214 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 144.5 | 174 | -28.2 | 36.1 | 0 | 0 | 0 | 111.4 | A492 K493 N553 | A492-P555 HydrophobicContact CB-CG 3.79Å; K493-P555 HydrophobicContact CB-CB 4.42Å; N553-P555 WeakPolarHBondContact O-CD 3.17Å |
| 556 | A | 67.9 | Low | 72.8 | Confident | 63 Ų | 63 | 62.3 Ų | 62.3 | 52% | 0.521 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -58 | 170.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F558 | A556-F558 HydrophobicContact CB-CD2 4.34Å; A556-F558 HydrophobicContact CB-CE2 3.76Å; A556-F558 HydrophobicContact CB-CZ 4.24Å; A556-F558 WeakPolarHBondContact O-CD2 3.31Å; A556-F558 PolarHBondContact O-N 3.18Å |
| 557 | A | 61.3 | Low | 70.3 | Confident | 64 Ų | 64 | 62.8 Ų | 62.8 | 53% | 0.529 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -74.4 | 65.2 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | I571 | A557-I571 HydrophobicContact CB-CD1 3.64Å; A557-I571 HydrophobicContact CB-CG1 3.9Å |
| 558 | F | 64.1 | Low | 67.7 | Low | 78 Ų | 78 | 66.1 Ų | 66.1 | 34% | 0.342 | 40% | 0.397 | S | S | . | . | trans | -75 | 152.7 | 169.1 | -58.1 | -73.7 | 0 | 0 | 0 | 111.4 | L489 V490 K493 A556 | L489-F558 HydrophobicContact CB-CB 4.27Å; L489-F558 HydrophobicContact CB-CD2 3.78Å; L489-F558 HydrophobicContact CB-CE2 4.34Å; L489-F558 HydrophobicContact CB-CG 4.01Å; L489-F558 HydrophobicContact CD1-CD1 3.95Å; L489-F558 HydrophobicContact CD1-CD2 3.97Å; L489-F558 HydrophobicContact CD1-CE1 3.89Å; L489-F558 HydrophobicContact CD1-CE2 3.9Å; L489-F558 HydrophobicContact CD1-CG 4.01Å; L489-F558 HydrophobicContact CD1-CZ 3.87Å; L489-F558 HydrophobicContact CD2-CD2 4.34Å; L489-F558 HydrophobicContact CD2-CE2 4.08Å; L489-F558 HydrophobicContact CG-CD2 4.26Å; L489-F558 HydrophobicContact CG-CE2 4.34Å; V490-F558 HydrophobicContact CG2-CB 4.26Å; K493-F558 PolarHBondContact NZ-O 3.21Å; A556-F558 HydrophobicContact CB-CD2 4.34Å; A556-F558 HydrophobicContact CB-CE2 3.76Å; A556-F558 HydrophobicContact CB-CZ 4.24Å; A556-F558 WeakPolarHBondContact O-CD2 3.31Å; A556-F558 PolarHBondContact O-N 3.18Å | ||
| 559 | R | 61.1 | Low | 65.2 | Low | 141 Ų | 141 | 62.4 Ų | 62.4 | 53% | 0.532 | 38% | 0.384 | S | S | . | . | trans | -132.4 | 171.6 | 163.5 | -75.8 | -172.2 | 173.2 | -135.7 | -0.3 | 106.4 | E486 | E486-R559 VanDerWaalsContact CD-O 3.27Å; E486-R559 WeakPolarHBondContact CG-O 3.27Å | ||
| 560 | L | 62.5 | Low | 62.5 | Low | 31 Ų | 31 | 62.6 Ų | 62.6 | 16% | 0.162 | 39% | 0.385 | C | S | . | . | trans | -82.8 | 134.6 | 165.8 | -59.9 | 175.4 | 0 | 0 | 0 | 110.3 | E486 V490 S562 L565 A567 | E486-L560 HydrophobicContact CB-CD2 4.07Å; E486-L560 HydrophobicContact CG-CD2 3.97Å; E486-L560 VanDerWaalsContact OE2-CA 3.29Å; E486-L560 WeakPolarHBondContact OE2-CA 3.45Å; V490-L560 HydrophobicContact CB-CD2 4.11Å; V490-L560 HydrophobicContact CB-CG 4.38Å; V490-L560 HydrophobicContact CG1-CD2 4.5Å; V490-L560 HydrophobicContact CG1-CG 4.27Å; V490-L560 HydrophobicContact CG2-CD2 3.75Å; V490-L560 HydrophobicContact CG2-CG 3.99Å; L560-S562 VanDerWaalsContact C-N 3.29Å; L560-S562 WeakPolarHBondContact CB-O 3.43Å; L560-L565 HydrophobicContact CD1-CB 3.28Å; L560-L565 HydrophobicContact CD1-CD1 3.72Å; L560-L565 HydrophobicContact CD1-CG 4.15Å; L560-A567 HydrophobicContact CD1-CB 3.91Å; L560-A567 HydrophobicContact CG-CB 4.23Å | ||
| 561 | S | 59.8 | Low | 59.7 | Low | 110 Ų | 110 | 66.5 Ų | 66.5 | 77% | 0.769 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -71.8 | -26.1 | 172.8 | -68.1 | 0 | 0 | 0 | 0 | 111.4 | E486 | E486-S561 WeakPolarHBondContact OE1-CB 3.5Å; E486-S561 PolarHBondContact OE1-N 3.21Å; E486-S561 VanDerWaalsContact OE1-N 3.12Å; E486-S561 PolarHBondContact OE1-OG 3.49Å; E486-S561 PolarHBondContact OE2-N 3.43Å |
| 562 | S | 56.3 | Low | 56.8 | Low | 57 Ų | 57 | 69.2 Ų | 69.2 | 40% | 0.399 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -92.5 | 136.2 | 167.7 | -176.3 | 0 | 0 | 0 | 0 | 111.5 | L560 T564 | L560-S562 VanDerWaalsContact C-N 3.29Å; L560-S562 WeakPolarHBondContact CB-O 3.43Å; S562-T564 PolarHBondContact O-N 3.03Å; S562-T564 WeakPolarHBondContact OG-CB 3.32Å; S562-T564 WeakPolarHBondContact OG-CG2 3.14Å; S562-T564 PolarHBondContact OG-N 3.38Å; S562-T564 PolarHBondContact OG-OG1 3.19Å |
| 563 | G | 54.8 | Low | 54 | Low | 75 Ų | 75 | 71.7 Ų | 71.7 | 77% | 0.773 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -73.9 | -3.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L565 | G563-L565 PolarHBondContact O-N 2.83Š|
| 564 | T | 55.3 | Low | 51.5 | Low | 29 Ų | 29 | 71.4 Ų | 71.4 | 18% | 0.178 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -74.5 | 20.5 | -179.4 | 61 | 0 | 0 | 0 | 0 | 114.5 | D464 S562 | D464-T564 WeakPolarHBondContact CB-O 3.31Å; D464-T564 WeakPolarHBondContact OD2-CA 3.25Å; D464-T564 WeakPolarHBondContact OD2-CB 3.48Å; S562-T564 PolarHBondContact O-N 3.03Å; S562-T564 WeakPolarHBondContact OG-CB 3.32Å; S562-T564 WeakPolarHBondContact OG-CG2 3.14Å; S562-T564 PolarHBondContact OG-N 3.38Å; S562-T564 PolarHBondContact OG-OG1 3.19Å |
| 565 | L | 51.6 | Low | 49.3 | Very low | 44 Ų | 44 | 72.2 Ų | 72.2 | 23% | 0.23 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -161.5 | 115.8 | 167 | -91.4 | 177.7 | 0 | 0 | 0 | 103.2 | D464 P465 M467 L560 G563 A567 | D464-L565 HydrophobicContact CB-CD2 4.47Å; P465-L565 WeakPolarHBondContact O-CD2 3.27Å; M467-L565 HydrophobicContact CE-CD1 3.93Å; L560-L565 HydrophobicContact CD1-CB 3.28Å; L560-L565 HydrophobicContact CD1-CD1 3.72Å; L560-L565 HydrophobicContact CD1-CG 4.15Å; G563-L565 PolarHBondContact O-N 2.83Å; L565-A567 PolarHBondContact O-N 3.43Å |
| 566 | S | 43.4 | Very low | 47.3 | Very low | 53 Ų | 53 | 74.1 Ų | 74.1 | 37% | 0.371 | 50% | 0.495 | S | S | . | . | trans | -79 | 46.8 | -168.2 | 46.1 | 0 | 0 | 0 | 0 | 113.5 | P466 F568 | P466-S566 WeakPolarHBondContact CA-OG 3.44Å; P466-S566 WeakPolarHBondContact CB-OG 3.4Å; S566-F568 VanDerWaalsContact O-CD1 3.3Å; S566-F568 WeakPolarHBondContact O-CD1 3.43Å; S566-F568 PolarHBondContact O-N 3.44Å; S566-F568 VanDerWaalsContact O-N 3.08Å | ||
| 567 | A | 41.9 | Very low | 45.8 | Very low | 10 Ų | 10 | 76.8 Ų | 76.8 | 8% | 0.083 | 51% | 0.51 | C | S | . | . | trans | -85.2 | 72.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | M467 V490 L560 L565 | M467-A567 HydrophobicContact CB-CB 4.01Å; V490-A567 HydrophobicContact CG1-CB 3.46Å; V490-A567 VanDerWaalsContact CG1-CB 3.46Å; L560-A567 HydrophobicContact CD1-CB 3.91Å; L560-A567 HydrophobicContact CG-CB 4.23Å; L565-A567 PolarHBondContact O-N 3.43Å | ||
| 568 | F | 39.7 | Very low | 44.8 | Very low | 132 Ų | 132 | 82.4 Ų | 82.4 | 58% | 0.579 | 52% | 0.524 | S | S | * | . | trans | -88.8 | 97.3 | 165.2 | 63.2 | -82.5 | 0 | 0 | 0 | 110.4 | S566 S570 | S566-F568 VanDerWaalsContact O-CD1 3.3Å; S566-F568 WeakPolarHBondContact O-CD1 3.43Å; S566-F568 PolarHBondContact O-N 3.44Å; S566-F568 VanDerWaalsContact O-N 3.08Å; F568-S570 PolarHBondContact O-N 3.06Å | ||
| 569 | V | 40.9 | Very low | 43.8 | Very low | 13 Ų | 13 | 83.9 Ų | 83.9 | 8% | 0.079 | 55% | 0.545 | C | S | . | . | trans | -94.3 | 91.7 | 171.5 | -174.1 | 0 | 0 | 0 | 0 | 109.2 | K493 | K493-V569 HydrophobicContact CD-CB 3.8Å; K493-V569 HydrophobicContact CD-CG1 3.7Å; K493-V569 HydrophobicContact CD-CG2 4.25Å; K493-V569 VanDerWaalsContact CE-CG1 3.46Å; K493-V569 HydrophobicContact CG-CG1 4.09Å; K493-V569 PolarHBondContact NZ-O 3.41Å | ||
| 570 | S | 36 | Very low | 42.4 | Very low | 80 Ų | 80 | 83 Ų | 83 | 56% | 0.559 | 56% | 0.56 | S | S | * | * | trans | -54 | 138.2 | -177.9 | -67.7 | 0 | 0 | 0 | 0 | 113 | F568 | F568-S570 PolarHBondContact O-N 3.06Š| ||
| 571 | I | 35.7 | Very low | 41.6 | Very low | 105 Ų | 105 | 87.7 Ų | 87.7 | 54% | 0.538 | 59% | 0.59 | S | S | . | * | trans | -80.1 | 127.5 | 171.2 | -56.1 | 170.6 | 0 | 0 | 0 | 107.5 | A557 L573 | A557-I571 HydrophobicContact CB-CD1 3.64Å; A557-I571 HydrophobicContact CB-CG1 3.9Å; I571-L573 HydrophobicContact CB-CD1 3.79Å; I571-L573 HydrophobicContact CG2-CD1 3.76Å; I571-L573 HydrophobicContact CG2-CG 4.34Å; I571-L573 PolarHBondContact O-N 2.9Å | ||
| 572 | G | 32.7 | Very low | 41 | Very low | 78 Ų | 78 | 87.9 Ų | 87.9 | 80% | 0.804 | 59% | 0.588 | S | S | * | * | trans | -71.3 | 83 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 573 | L | 33.3 | Very low | 40.8 | Very low | 131 Ų | 131 | 90.6 Ų | 90.6 | 69% | 0.686 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 137.3 | 174.7 | -91.6 | 87.7 | 0 | 0 | 0 | 109.6 | I571 G575 | I571-L573 HydrophobicContact CB-CD1 3.79Å; I571-L573 HydrophobicContact CG2-CD1 3.76Å; I571-L573 HydrophobicContact CG2-CG 4.34Å; I571-L573 PolarHBondContact O-N 2.9Å; L573-G575 PolarHBondContact O-N 3.22Å |
| 574 | P | 32.7 | Very low | 40.6 | Very low | 117 Ų | 117 | 92.5 Ų | 92.5 | 76% | 0.76 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 125.6 | 155.4 | 28.2 | -31.7 | 0 | 0 | 0 | 108.1 | G576 | P574-G576 PolarHBondContact O-N 3.46Š|
| 575 | G | 31.5 | Very low | 40.5 | Very low | 72 Ų | 72 | 96.7 Ų | 96.7 | 74% | 0.742 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 128.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L573 | L573-G575 PolarHBondContact O-N 3.22Š|
| 576 | G | 31.5 | Very low | 41.1 | Very low | 73 Ų | 73 | 100.1 Ų | 100.1 | 75% | 0.753 | 66% | 0.656 | S | S | * | * | trans | -138.3 | 24.6 | -164.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | P574 | P574-G576 PolarHBondContact O-N 3.46Š| ||
| 577 | S | 35.3 | Very low | 41.7 | Very low | 119 Ų | 119 | 103.1 Ų | 103.1 | 83% | 0.832 | 67% | 0.674 | S | S | * | * | trans | -165.6 | 61.5 | 172.7 | 39.7 | 0 | 0 | 0 | 0 | 113.2 | S579 | S577-S579 PolarHBondContact O-N 2.97Š| ||
| 578 | H | 41.3 | Very low | 42.5 | Very low | 182 Ų | 182 | 108 Ų | 108 | 84% | 0.843 | 71% | 0.705 | S | S | * | * | trans | -74.6 | 119.8 | 171.8 | -87.3 | -85.6 | 0 | 0 | 0 | 111.9 | ||||
| 579 | S | 41.5 | Very low | 43.5 | Very low | 110 Ų | 110 | 106.9 Ų | 106.9 | 77% | 0.769 | 71% | 0.711 | S | S | * | * | trans | -60.2 | 146.2 | 154 | -55.2 | 0 | 0 | 0 | 0 | 109.8 | S577 V581 | S577-S579 PolarHBondContact O-N 2.97Å; S579-V581 PolarHBondContact O-N 3.35Å; S579-V581 VanDerWaalsContact O-N 3.17Å | ||
| 580 | S | 32.3 | Very low | 44 | Very low | 122 Ų | 122 | 112.4 Ų | 112.4 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -67.7 | 109.9 | -163.7 | 54.5 | 0 | 0 | 0 | 0 | 114.5 | ||
| 581 | V | 46.1 | Very low | 44.7 | Very low | 129 Ų | 129 | 115.6 Ų | 115.6 | 78% | 0.782 | 76% | 0.757 | S | S | * | * | trans | -130.7 | 127.5 | 158.1 | -178.1 | 0 | 0 | 0 | 0 | 107 | S579 | S579-V581 PolarHBondContact O-N 3.35Å; S579-V581 VanDerWaalsContact O-N 3.17Å | ||
| 582 | P | 46.4 | Very low | 45.2 | Very low | 114 Ų | 114 | 115.9 Ų | 115.9 | 74% | 0.74 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 141.2 | -175.6 | 29.1 | -34.5 | 0 | 0 | 0 | 111.8 | ||
| 583 | P | 53.6 | Low | 45.6 | Very low | 114 Ų | 114 | 121 Ų | 121 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 152.6 | 176.9 | 31.2 | -35.1 | 0 | 0 | 0 | 112 | ||
| 584 | P | 50 | Low | 46.2 | Very low | 115 Ų | 115 | 122.3 Ų | 122.3 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 156.1 | 172.5 | 29.8 | -35.3 | 0 | 0 | 0 | 111.8 | ||
| 585 | P | 53.8 | Low | 46.9 | Very low | 117 Ų | 117 | 123.8 Ų | 123.8 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -68 | 151.6 | -178.9 | 28.9 | -35.6 | 0 | 0 | 0 | 112.5 | ||
| 586 | P | 62.5 | Low | 47.5 | Very low | 116 Ų | 116 | 127.8 Ų | 127.8 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 151.3 | 179.1 | 29.9 | -35.6 | 0 | 0 | 0 | 112.2 | ||
| 587 | P | 56.1 | Low | 48.4 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 150.2 | 176.7 | 29.1 | -35.2 | 0 | 0 | 0 | 112 | ||
| 588 | P | 59.3 | Low | 49.1 | Very low | 112 Ų | 112 | 133.6 Ų | 133.6 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -69 | 155.2 | 178.4 | 29.6 | -35.5 | 0 | 0 | 0 | 112.4 | ||
| 589 | P | 61.2 | Low | 49.4 | Very low | 109 Ų | 109 | 130.9 Ų | 130.9 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 153.4 | 177.4 | 29.2 | -35.6 | 0 | 0 | 0 | 112.1 | L591 | P589-L591 PolarHBondContact O-N 3.09Š|
| 590 | P | 52 | Low | 50 | Low | 129 Ų | 129 | 129.9 Ų | 129.9 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 131.6 | -176.8 | 26.8 | -34.6 | 0 | 0 | 0 | 112.2 | ||
| 591 | L | 50.1 | Low | 50.8 | Low | 147 Ų | 147 | 127.1 Ų | 127.1 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 158.6 | 173 | -76.1 | 95.9 | 0 | 0 | 0 | 111.8 | P589 | P589-L591 PolarHBondContact O-N 3.09Š|
| 592 | P | 45.1 | Very low | 51.2 | Low | 111 Ų | 111 | 129 Ų | 129 | 72% | 0.721 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 141.6 | -178.3 | -23.9 | 34.8 | 0 | 0 | 0 | 113.8 | N594 | P592-N594 PolarHBondContact O-N 3.3Š|
| 593 | Q | 41.7 | Very low | 51.6 | Low | 184 Ų | 184 | 130.5 Ų | 130.5 | 86% | 0.86 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | 6.9 | -171.2 | -72.4 | 178.6 | -40.2 | 0 | 0 | 116.9 | ||
| 594 | N | 45 | Very low | 51.8 | Low | 160 Ų | 160 | 131.9 Ų | 131.9 | 86% | 0.856 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | 3.2 | -170.3 | -104 | -66.4 | 0 | 0 | 0 | 116.1 | P592 | P592-N594 PolarHBondContact O-N 3.3Š|
| 595 | Q | 47.4 | Very low | 52.1 | Low | 147 Ų | 147 | 133.1 Ų | 133.1 | 69% | 0.687 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -112.5 | -12.5 | -178.9 | -157.8 | 163.1 | 78.1 | 0 | 0 | 114.2 | ||
| 596 | Q | 45.5 | Very low | 52.1 | Low | 156 Ų | 156 | 131 Ų | 131 | 73% | 0.729 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -14.2 | -170.1 | -149.4 | 157.7 | 18 | 0 | 0 | 114.5 | ||
| 597 | Q | 49.8 | Very low | 51.7 | Low | 175 Ų | 175 | 135 Ų | 135 | 82% | 0.818 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -81 | -13.5 | 172.4 | -69.6 | -177.7 | -7.1 | 0 | 0 | 113.6 | S601 | Q597-S601 PolarHBondContact O-OG 2.98Å; Q597-S601 VanDerWaalsContact O-OG 3.09Å |
| 598 | Q | 51 | Low | 51.6 | Low | 139 Ų | 139 | 137.3 Ų | 137.3 | 65% | 0.65 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -91.4 | -14.1 | -177.6 | -142.1 | 170.3 | 26.2 | 0 | 0 | 113.7 | S601 Y602 | Q598-S601 PolarHBondContact O-OG 2.99Å; Q598-Y602 WeakPolarHBondContact O-CD2 3.48Å |
| 599 | L | 47.8 | Very low | 51.2 | Low | 126 Ų | 126 | 136 Ų | 136 | 66% | 0.66 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -89.7 | -36.5 | 175.9 | -90.7 | 153.7 | 0 | 0 | 0 | 113 | S601 Y602 Q603 | L599-S601 VanDerWaalsContact C-N 3.31Å; L599-S601 PolarHBondContact O-N 3.39Å; L599-Y602 PolarHBondContact O-N 3.1Å; L599-Q603 PolarHBondContact O-N 2.92Å |
| 600 | V | 53.3 | Low | 50.7 | Low | 88 Ų | 88 | 139.3 Ų | 139.3 | 53% | 0.533 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -66.6 | -34.2 | 179.3 | -178 | 0 | 0 | 0 | 0 | 111.6 | Q603 H604 | V600-Q603 PolarHBondContact O-N 3.35Å; V600-H604 PolarHBondContact O-N 2.87Å |
| 601 | S | 49.6 | Very low | 50.4 | Low | 65 Ų | 65 | 141.8 Ų | 141.8 | 46% | 0.455 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -66.6 | -43.4 | 176.6 | 36.6 | 0 | 0 | 0 | 0 | 112.7 | Q597 Q598 L599 Q603 H604 Q605 | Q597-S601 PolarHBondContact O-OG 2.98Å; Q597-S601 VanDerWaalsContact O-OG 3.09Å; Q598-S601 PolarHBondContact O-OG 2.99Å; L599-S601 VanDerWaalsContact C-N 3.31Å; L599-S601 PolarHBondContact O-N 3.39Å; S601-Q603 VanDerWaalsContact C-N 3.34Å; S601-Q603 PolarHBondContact O-N 2.87Å; S601-H604 PolarHBondContact O-N 2.89Å; S601-Q605 PolarHBondContact O-N 3.3Å |
| 602 | Y | 54.1 | Low | 49.8 | Very low | 168 Ų | 168 | 138 Ų | 138 | 66% | 0.659 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -62.7 | -37.9 | 174.5 | -96.4 | -91.9 | 0 | 0 | 0 | 112.9 | Q598 L599 Q605 S606 | Q598-Y602 WeakPolarHBondContact O-CD2 3.48Å; L599-Y602 PolarHBondContact O-N 3.1Å; Y602-Q605 PolarHBondContact O-N 2.79Å; Y602-S606 PolarHBondContact O-N 2.89Å; Y602-S606 PolarHBondContact O-OG 3.4Å |
| 603 | Q | 55 | Low | 49.6 | Very low | 145 Ų | 145 | 141.3 Ų | 141.3 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -71.1 | -33.3 | -178.7 | -150.9 | 175.2 | 25.9 | 0 | 0 | 112.7 | L599 V600 S601 S606 | L599-Q603 PolarHBondContact O-N 2.92Å; V600-Q603 PolarHBondContact O-N 3.35Å; S601-Q603 VanDerWaalsContact C-N 3.34Å; S601-Q603 PolarHBondContact O-N 2.87Å; Q603-S606 PolarHBondContact O-OG 2.77Å |
| 604 | H | 58.3 | Low | 49.4 | Very low | 143 Ų | 143 | 141.1 Ų | 141.1 | 66% | 0.662 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -68.6 | -39.9 | 172.5 | -100.5 | -83.1 | 0 | 0 | 0 | 113 | V600 S601 S606 R607 | V600-H604 PolarHBondContact O-N 2.87Å; S601-H604 PolarHBondContact O-N 2.89Å; H604-S606 VanDerWaalsContact C-N 3.3Å; H604-S606 PolarHBondContact O-N 3.41Å; H604-R607 PolarHBondContact O-N 3.28Å |
| 605 | Q | 55.8 | Low | 48.7 | Very low | 141 Ų | 141 | 139.2 Ų | 139.2 | 66% | 0.659 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -66.2 | -31.9 | -179.3 | -162.5 | 166.6 | 16.9 | 0 | 0 | 112.4 | S601 Y602 R607 | S601-Q605 PolarHBondContact O-N 3.3Å; Y602-Q605 PolarHBondContact O-N 2.79Å; Q605-R607 PolarHBondContact O-N 3.47Å |
| 606 | S | 52.7 | Low | 48.2 | Very low | 72 Ų | 72 | 142 Ų | 142 | 50% | 0.503 | 71% | 0.711 | S | S | . | * | H | α-helix | trans | -71.6 | -22.3 | 177.6 | 53.8 | 0 | 0 | 0 | 0 | 115.6 | Y602 Q603 H604 | Y602-S606 PolarHBondContact O-N 2.89Å; Y602-S606 PolarHBondContact O-OG 3.4Å; Q603-S606 PolarHBondContact O-OG 2.77Å; H604-S606 VanDerWaalsContact C-N 3.3Å; H604-S606 PolarHBondContact O-N 3.41Å |
| 607 | R | 55.3 | Low | 47.9 | Very low | 200 Ų | 200 | 140.3 Ų | 140.3 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -83.1 | -19.2 | 178.6 | -78 | -157.2 | 71.6 | -157.8 | 0.7 | 114.8 | H604 Q605 | H604-R607 PolarHBondContact O-N 3.28Å; Q605-R607 PolarHBondContact O-N 3.47Å |
| 608 | Q | 54.1 | Low | 47.4 | Very low | 166 Ų | 166 | 140.4 Ų | 140.4 | 78% | 0.776 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -83.1 | -12.2 | 179 | -72.3 | -176.5 | -24.6 | 0 | 0 | 113.5 | Q610 | Q608-Q610 PolarHBondContact O-N 3.21Š|
| 609 | A | 50.9 | Low | 46.8 | Very low | 85 Ų | 85 | 138.3 Ų | 138.3 | 70% | 0.702 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -83.7 | 2.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 610 | Q | 50.5 | Low | 46.4 | Very low | 178 Ų | 178 | 140 Ų | 140 | 83% | 0.832 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -124.3 | 17.7 | -173.4 | -68.7 | -170.4 | -7.9 | 0 | 0 | 115.2 | Q608 | Q608-Q610 PolarHBondContact O-N 3.21Š|
| 611 | Q | 45.2 | Very low | 45.8 | Very low | 181 Ų | 181 | 142.1 Ų | 142.1 | 85% | 0.846 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -119.4 | 27.1 | 177.1 | -67.7 | -168.7 | -31.1 | 0 | 0 | 113.5 | ||
| 612 | G | 38.6 | Very low | 45.2 | Very low | 67 Ų | 67 | 146.6 Ų | 146.6 | 69% | 0.691 | 74% | 0.735 | S | S | * | * | trans | -134.5 | 47.6 | -169 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 613 | Q | 39.1 | Very low | 44.4 | Very low | 182 Ų | 182 | 144.1 Ų | 144.1 | 85% | 0.85 | 74% | 0.737 | S | S | * | * | trans | -159.7 | 152.3 | 167 | -124.6 | 164.4 | 85.6 | 0 | 0 | 114.1 | ||||
| 614 | Q | 38.4 | Very low | 43.6 | Very low | 179 Ų | 179 | 144.3 Ų | 144.3 | 84% | 0.836 | 74% | 0.743 | S | S | * | * | trans | 70.5 | 71.9 | 170.3 | -55.7 | -173.9 | 29.2 | 0 | 0 | 117.3 | ||||
| 615 | T | 31.4 | Very low | 42.6 | Very low | 120 Ų | 120 | 145.2 Ų | 145.2 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | trans | -89.2 | 172.3 | 146.1 | 46.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 616 | F | 35.6 | Very low | 41.7 | Very low | 206 Ų | 206 | 144.6 Ų | 144.6 | 90% | 0.904 | 75% | 0.75 | S | S | * | * | trans | 70.8 | 140.7 | -171.6 | -55.1 | -91.3 | 0 | 0 | 0 | 113.8 | ||||
| 617 | S | 39.8 | Very low | 41 | Very low | 120 Ų | 120 | 147 Ų | 147 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | cis | -132.9 | -154.2 | 14.6 | 58 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 618 | H | 38.7 | Very low | 40.4 | Very low | 177 Ų | 177 | 145.5 Ų | 145.5 | 82% | 0.819 | 76% | 0.759 | S | S | * | * | trans | -144.6 | 136.5 | -141.3 | -133.6 | 34.6 | 0 | 0 | 0 | 117.7 | ||||
| 619 | T | 37.9 | Very low | 39.8 | Very low | 96 Ų | 96 | 144.5 Ų | 144.5 | 59% | 0.589 | 76% | 0.759 | S | S | * | * | trans | 76.7 | 148.5 | 143.4 | -20.4 | 0 | 0 | 0 | 0 | 124 | ||||
| 620 | H | 41.1 | Very low | 39.8 | Very low | 160 Ų | 160 | 145.1 Ų | 145.1 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | trans | 72.9 | 151.3 | 163.8 | -69.4 | -72.9 | 0 | 0 | 0 | 119 | ||||
| 621 | H | 39.6 | Very low | 39.3 | Very low | 134 Ų | 134 | 144.1 Ų | 144.1 | 62% | 0.62 | 76% | 0.756 | S | S | * | * | cis | -145.7 | 136.1 | -4.6 | -123.5 | -89.4 | 0 | 0 | 0 | 106 | ||||
| 622 | Q | 37.3 | Very low | 39.2 | Very low | 159 Ų | 159 | 141.2 Ų | 141.2 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | 55.3 | 135.6 | 84.9 | -142.5 | -176.4 | 65.7 | 0 | 0 | 115.3 | |||||
| 623 | T | 36.8 | Very low | 39.4 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | cis | -171.2 | -172.7 | -14.3 | -81.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 624 | L | 38.4 | Very low | 39.7 | Very low | 150 Ų | 150 | 138.2 Ų | 138.2 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | 85.9 | 157.6 | 169.6 | -69.8 | 101.6 | 0 | 0 | 0 | 117.9 | ||||
| 625 | M | 37.8 | Very low | 40.1 | Very low | 161 Ų | 161 | 134.6 Ų | 134.6 | 79% | 0.793 | 74% | 0.742 | S | S | * | * | cis | -173.1 | 152.5 | -43.7 | -122.5 | 179.1 | -176.8 | 0 | 0 | 112.1 | ||||
| 626 | N | 37 | Very low | 40.3 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 69% | 0.69 | 75% | 0.749 | S | S | * | * | trans | 62 | 117.8 | 150.8 | -102.1 | 15.1 | 0 | 0 | 0 | 125.5 | ||||
| 627 | N | 36.6 | Very low | 40.6 | Very low | 122 Ų | 122 | 135 Ų | 135 | 65% | 0.652 | 74% | 0.739 | S | S | * | * | 68.1 | 156.5 | 121.7 | -69.6 | -1.6 | 0 | 0 | 0 | 126 | |||||
| 628 | H | 44.5 | Very low | 40.5 | Very low | 169 Ų | 169 | 133.7 Ų | 133.7 | 78% | 0.782 | 73% | 0.727 | S | S | * | * | trans | 89.3 | 141.1 | 171.1 | -52.3 | 96.6 | 0 | 0 | 0 | 116.3 | ||||
| 629 | N | 41 | Very low | 40.4 | Very low | 145 Ų | 145 | 133.7 Ų | 133.7 | 78% | 0.775 | 73% | 0.726 | S | S | * | * | cis | -154 | 163.1 | -8.9 | -137.6 | 21 | 0 | 0 | 0 | 111 | ||||
| 630 | P | 50.2 | Low | 40.2 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | trans | -109 | 165.6 | -177.1 | 40.4 | -33.4 | 0 | 0 | 0 | 115.7 | ||||
| 631 | N | 41.4 | Very low | 39.8 | Very low | 156 Ų | 156 | 131.7 Ų | 131.7 | 83% | 0.834 | 72% | 0.724 | S | S | * | * | trans | 160.1 | 158.4 | 153.4 | -83.3 | -29.2 | 0 | 0 | 0 | 108.2 | ||||
| 632 | T | 41.4 | Very low | 39.4 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 74% | 0.742 | 73% | 0.729 | S | S | * | * | cis | -157 | 153.7 | 22.4 | -28.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 633 | S | 42.8 | Very low | 39.1 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 79% | 0.79 | 72% | 0.719 | S | S | * | * | trans | 49.5 | 132.8 | 159.6 | 54 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 634 | G | 45.5 | Very low | 38.8 | Very low | 72 Ų | 72 | 128.9 Ų | 128.9 | 74% | 0.742 | 72% | 0.72 | S | S | * | * | cis | 94.9 | 147.8 | 7.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 635 | P | 47 | Very low | 38.5 | Very low | 103 Ų | 103 | 126.9 Ų | 126.9 | 67% | 0.669 | 71% | 0.714 | S | S | * | * | cis | -134.8 | 163 | -8.9 | 41.9 | -26.2 | 0 | 0 | 0 | 116 | I637 | P635-I637 HydrophobicContact CB-CD1 4.21Š| ||
| 636 | F | 36.5 | Very low | 38.3 | Very low | 199 Ų | 199 | 125.7 Ų | 125.7 | 87% | 0.873 | 72% | 0.716 | S | S | * | * | trans | 169.5 | 111.2 | 144.4 | -96.7 | -67.7 | 0 | 0 | 0 | 107 | ||||
| 637 | I | 41.5 | Very low | 38 | Very low | 137 Ų | 137 | 122.8 Ų | 122.8 | 70% | 0.703 | 72% | 0.717 | S | S | * | * | cis | 83 | 121.4 | 36.3 | -58.9 | 175.8 | 0 | 0 | 0 | 112.2 | P635 | P635-I637 HydrophobicContact CB-CD1 4.21Š| ||
| 638 | P | 36.6 | Very low | 38 | Very low | 91 Ų | 91 | 122.9 Ų | 122.9 | 59% | 0.591 | 72% | 0.723 | S | S | * | * | -109.6 | -167.3 | -76.3 | 12.5 | 13.7 | 0 | 0 | 0 | 109.5 | |||||
| 639 | F | 38.1 | Very low | 37.3 | Very low | 178 Ų | 178 | 120.1 Ų | 120.1 | 78% | 0.781 | 72% | 0.723 | S | S | * | * | cis | -130.6 | 128.8 | 17.6 | -78 | -107.1 | 0 | 0 | 0 | 108 | ||||
| 640 | T | 33.6 | Very low | 37.1 | Very low | 94 Ų | 94 | 119.7 Ų | 119.7 | 58% | 0.577 | 73% | 0.726 | S | S | * | * | 49.2 | 111.8 | 78.6 | 68.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 641 | V | 32.1 | Very low | 36.3 | Very low | 119 Ų | 119 | 121.8 Ų | 121.8 | 72% | 0.721 | 73% | 0.732 | S | S | * | * | 53.5 | 147.8 | 67.5 | -43.4 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 642 | N | 31.3 | Very low | 35.9 | Very low | 137 Ų | 137 | 119.3 Ų | 119.3 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | cis | -160.3 | -161.7 | 24.8 | -142.3 | -4.7 | 0 | 0 | 0 | 106.9 | ||||
| 643 | S | 31.1 | Very low | 35.6 | Very low | 75 Ų | 75 | 118.3 Ų | 118.3 | 52% | 0.524 | 73% | 0.725 | S | S | . | * | cis | -174.3 | 132 | 8.5 | 127.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 644 | L | 30.5 | Very low | 35.1 | Very low | 138 Ų | 138 | 119.7 Ų | 119.7 | 72% | 0.723 | 72% | 0.723 | S | S | * | * | trans | 61.6 | 168.7 | 141.3 | -73.5 | 49.9 | 0 | 0 | 0 | 117.3 | ||||
| 645 | T | 31.1 | Very low | 34.2 | Very low | 108 Ų | 108 | 120.7 Ų | 120.7 | 66% | 0.663 | 72% | 0.724 | S | S | * | * | cis | -151.7 | 154.1 | -4.7 | 3.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 646 | T | 34.7 | Very low | 33.4 | Very low | 136 Ų | 136 | 120.3 Ų | 120.3 | 83% | 0.834 | 73% | 0.729 | S | S | * | * | trans | 40.6 | 137.6 | 148.4 | 58.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 647 | G | 31.3 | Very low | 33 | Very low | 68 Ų | 68 | 116.8 Ų | 116.8 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | cis | -175.3 | -174.8 | 15.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 648 | P | 36.1 | Very low | 32.4 | Very low | 123 Ų | 123 | 119 Ų | 119 | 80% | 0.799 | 74% | 0.737 | S | S | * | * | trans | -105.9 | 178 | -149.3 | 39.6 | -37.5 | 0 | 0 | 0 | 116.8 | ||||
| 649 | S | 28.8 | Very low | 31.9 | Very low | 111 Ų | 111 | 119.1 Ų | 119.1 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | trans | 77.2 | 147.6 | -178.7 | 81.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 650 | V | 38.3 | Very low | 31.5 | Very low | 137 Ų | 137 | 116.1 Ų | 116.1 | 83% | 0.83 | 75% | 0.746 | S | S | * | * | cis | -126.3 | 148.9 | 33.3 | -175.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 651 | N | 31.9 | Very low | 31.4 | Very low | 142 Ų | 142 | 120 Ų | 120 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | -46.2 | 144.8 | 176.3 | -66.7 | -21.1 | 0 | 0 | 0 | 118.9 | ||||
| 652 | S | 32.9 | Very low | 31.2 | Very low | 104 Ų | 104 | 124 Ų | 124 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | 68.9 | 152.6 | 133.1 | -144 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 653 | S | 35.2 | Very low | 31.2 | Very low | 100 Ų | 100 | 124.9 Ų | 124.9 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | cis | -144.7 | 157.5 | 12.3 | -44.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 654 | N | 32.2 | Very low | 31.3 | Very low | 142 Ų | 142 | 127 Ų | 127 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | trans | -23.4 | 140.8 | 151.1 | -41.4 | -30.4 | 0 | 0 | 0 | 114.3 | ||||
| 655 | A | 28.2 | Very low | 31.2 | Very low | 93 Ų | 93 | 130.8 Ų | 130.8 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | cis | 67.5 | 129.3 | 43.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 656 | A | 28.9 | Very low | 31.3 | Very low | 94 Ų | 94 | 133.3 Ų | 133.3 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | trans | 70.2 | 126.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 657 | T | 28.7 | Very low | 31.3 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | trans | 66.6 | 98 | 140.2 | -47.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 658 | L | 29 | Very low | 31.5 | Very low | 185 Ų | 185 | 136.7 Ų | 136.7 | 97% | 0.969 | 78% | 0.782 | S | S | * | * | trans | -135.8 | 98.5 | 143.1 | -80.4 | -177.6 | 0 | 0 | 0 | 110.8 | ||||
| 659 | A | 26.7 | Very low | 31.7 | Very low | 93 Ų | 93 | 135.2 Ų | 135.2 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -134.6 | 74.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 660 | S | 29 | Very low | 32.1 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | -177.8 | 109.2 | 161.5 | 52 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 661 | L | 30.8 | Very low | 32 | Very low | 175 Ų | 175 | 139.8 Ų | 139.8 | 92% | 0.916 | 77% | 0.773 | S | S | * | * | trans | -160.2 | 55 | 160 | -118.9 | 174.2 | 0 | 0 | 0 | 114 | ||||
| 662 | F | 28 | Very low | 32.1 | Very low | 205 Ų | 205 | 141.7 Ų | 141.7 | 90% | 0.899 | 78% | 0.777 | S | S | * | * | trans | -114.1 | 104.3 | 161 | -99.2 | -79 | 0 | 0 | 0 | 109 | ||||
| 663 | N | 32.1 | Very low | 32.4 | Very low | 155 Ų | 155 | 141.7 Ų | 141.7 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | trans | -173.3 | 151.2 | 141.6 | -111.2 | -37.5 | 0 | 0 | 0 | 117.5 | ||||
| 664 | T | 32.8 | Very low | 32.5 | Very low | 120 Ų | 120 | 146 Ų | 146 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | 64.5 | 79.7 | 147.7 | -44 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 665 | R | 28.5 | Very low | 32.5 | Very low | 217 Ų | 217 | 147.7 Ų | 147.7 | 82% | 0.819 | 79% | 0.787 | S | S | * | * | trans | -43.2 | 138.7 | 145.2 | 177 | -163.5 | -160.7 | -151.9 | 9 | 115.8 | ||||
| 666 | Q | 33.5 | Very low | 32.8 | Very low | 160 Ų | 160 | 151.6 Ų | 151.6 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -163.7 | 125.4 | 141.5 | -76.3 | -129.2 | 53.8 | 0 | 0 | 108.4 | ||||
| 667 | Q | 35 | Very low | 32.8 | Very low | 123 Ų | 123 | 153.7 Ų | 153.7 | 58% | 0.575 | 79% | 0.793 | S | S | * | * | 66.1 | 136.6 | 77.8 | -66.1 | -164.4 | 88.2 | 0 | 0 | 114.2 | |||||
| 668 | Q | 34.3 | Very low | 33.1 | Very low | 152 Ų | 152 | 152.4 Ų | 152.4 | 71% | 0.71 | 79% | 0.789 | S | S | * | * | cis | -167.1 | -161.2 | 2.5 | -118.6 | -160.1 | 75.7 | 0 | 0 | 108.2 | ||||
| 669 | P | 40.5 | Very low | 33.2 | Very low | 93 Ų | 93 | 151.1 Ų | 151.1 | 60% | 0.604 | 78% | 0.783 | S | S | * | * | -133.1 | -141.9 | -63.7 | 40.9 | -20.7 | 0 | 0 | 0 | 113.6 | |||||
| 670 | I | 36.8 | Very low | 33.8 | Very low | 144 Ų | 144 | 151.3 Ų | 151.3 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | trans | 87.6 | 131 | 170.6 | -51.3 | -177.9 | 0 | 0 | 0 | 113.9 | ||||
| 671 | K | 37.5 | Very low | 33.9 | Very low | 200 Ų | 200 | 153 Ų | 153 | 87% | 0.87 | 78% | 0.776 | S | S | * | * | cis | -139 | 177.8 | 21.6 | -136 | 146.6 | -165.4 | 174.8 | 0 | 113.8 | ||||
| 672 | Q | 34 | Very low | 34 | Very low | 181 Ų | 181 | 154.2 Ų | 154.2 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | -125.5 | -162.4 | -169.2 | -68.1 | -176.4 | -32.8 | 0 | 0 | 112.2 | ||||
| 673 | P | 38.1 | Very low | 34.2 | Very low | 105 Ų | 105 | 152.6 Ų | 152.6 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | -136.8 | 175.4 | -67.2 | 39.9 | -24.2 | 0 | 0 | 0 | 115.2 | |||||
| 674 | Q | 37.1 | Very low | 34.1 | Very low | 189 Ų | 189 | 149.6 Ų | 149.6 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | trans | -177.7 | 112.8 | 139 | -102.1 | 168.8 | 33.1 | 0 | 0 | 108.2 | ||||
| 675 | Q | 32.3 | Very low | 34 | Very low | 178 Ų | 178 | 148.2 Ų | 148.2 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | 54 | 105.4 | 81.6 | -76.8 | -156.9 | 6.2 | 0 | 0 | 116.8 | |||||
| 676 | L | 34.9 | Very low | 34.6 | Very low | 176 Ų | 176 | 146.4 Ų | 146.4 | 92% | 0.921 | 75% | 0.75 | S | S | * | * | -155.8 | 166.7 | 106.1 | -133.4 | 83.8 | 0 | 0 | 0 | 112.1 | |||||
| 677 | N | 29.2 | Very low | 34.5 | Very low | 138 Ų | 138 | 145.7 Ų | 145.7 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | trans | -98.1 | 156.9 | -179.8 | -154.8 | 16 | 0 | 0 | 0 | 108.7 | ||||
| 678 | S | 35.5 | Very low | 34.5 | Very low | 97 Ų | 97 | 151.4 Ų | 151.4 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | 177.7 | 139.5 | 70.1 | -56.8 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 679 | N | 31.1 | Very low | 34.5 | Very low | 159 Ų | 159 | 149.7 Ų | 149.7 | 85% | 0.85 | 77% | 0.767 | S | S | * | * | trans | 53.2 | 158.8 | 146.6 | -93.6 | -1 | 0 | 0 | 0 | 124.2 | ||||
| 680 | P | 40 | Very low | 34.3 | Very low | 97 Ų | 97 | 150.3 Ų | 150.3 | 63% | 0.63 | 78% | 0.78 | S | S | * | * | trans | -112.1 | -178.7 | -169.3 | 43.7 | -36.1 | 0 | 0 | 0 | 116.1 | ||||
| 681 | N | 30.2 | Very low | 34.1 | Very low | 149 Ų | 149 | 146.9 Ų | 146.9 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | 73.8 | 132.2 | 174.1 | -58.2 | -38.3 | 0 | 0 | 0 | 116.5 | ||||
| 682 | Y | 32.2 | Very low | 34.2 | Very low | 200 Ų | 200 | 143.4 Ų | 143.4 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | -173 | 119.6 | 125.9 | -122.7 | -105.7 | 0 | 0 | 0 | 112.3 | |||||
| 683 | F | 32.7 | Very low | 34.1 | Very low | 172 Ų | 172 | 141 Ų | 141 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | trans | 54.7 | 164.3 | 142.3 | -77 | -121.1 | 0 | 0 | 0 | 121.7 | ||||
| 684 | S | 29.5 | Very low | 33.8 | Very low | 91 Ų | 91 | 143.8 Ų | 143.8 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | cis | -177.2 | 167.8 | -33.6 | -170.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 685 | S | 32.1 | Very low | 33.4 | Very low | 91 Ų | 91 | 139.3 Ų | 139.3 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | trans | 71.2 | 153.2 | 165.6 | 76.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 686 | H | 39.7 | Very low | 33.5 | Very low | 180 Ų | 180 | 138.8 Ų | 138.8 | 83% | 0.833 | 78% | 0.777 | S | S | * | * | cis | -130.9 | 165.3 | 18.3 | -85.3 | -80.1 | 0 | 0 | 0 | 116 | ||||
| 687 | N | 31.7 | Very low | 33.3 | Very low | 145 Ų | 145 | 140.2 Ų | 140.2 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | trans | -68.4 | 149.3 | 178.6 | -67.9 | -36.2 | 0 | 0 | 0 | 115.3 | ||||
| 688 | R | 34.7 | Very low | 33.6 | Very low | 242 Ų | 242 | 139.6 Ų | 139.6 | 91% | 0.913 | 78% | 0.778 | S | S | * | * | 176 | 164.7 | 104.2 | -89.5 | 174.5 | -158 | -138.3 | 7 | 110.6 | |||||
| 689 | T | 35 | Very low | 33.4 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 71% | 0.712 | 78% | 0.781 | S | S | * | * | cis | -175.5 | 123.7 | -42.7 | -84.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 690 | A | 37 | Very low | 33.5 | Very low | 106 Ų | 106 | 145.7 Ų | 145.7 | 88% | 0.876 | 78% | 0.784 | S | S | * | * | trans | 62.7 | 149.2 | 163.3 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 691 | G | 32.7 | Very low | 33.2 | Very low | 73 Ų | 73 | 146.3 Ų | 146.3 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | 139.1 | 114.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 692 | P | 37.6 | Very low | 33.4 | Very low | 127 Ų | 127 | 143.8 Ų | 143.8 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | -101.2 | 174.8 | -168.2 | 39.3 | -36.3 | 0 | 0 | 0 | 115.6 | ||||
| 693 | V | 32.5 | Very low | 33.5 | Very low | 130 Ų | 130 | 139.1 Ų | 139.1 | 79% | 0.788 | 79% | 0.785 | S | S | * | * | trans | -41.2 | 146.8 | 173.6 | -69.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 694 | N | 31.4 | Very low | 33.7 | Very low | 164 Ų | 164 | 137.5 Ų | 137.5 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | -157.3 | 160.4 | 133.1 | -114.6 | -22.9 | 0 | 0 | 0 | 113.6 | ||||
| 695 | S | 29.8 | Very low | 34 | Very low | 95 Ų | 95 | 138.1 Ų | 138.1 | 66% | 0.664 | 79% | 0.793 | S | S | * | * | trans | -90.7 | 159.9 | -172.6 | 49.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 696 | L | 35.1 | Very low | 34 | Very low | 167 Ų | 167 | 139.9 Ų | 139.9 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -132.2 | 83.9 | 160.4 | -81.4 | 176.1 | 0 | 0 | 0 | 110.6 | ||||
| 697 | F | 29.4 | Very low | 33.9 | Very low | 205 Ų | 205 | 136.9 Ų | 136.9 | 90% | 0.899 | 80% | 0.796 | S | S | * | * | trans | -88.4 | 125.6 | 150.3 | -95.6 | -91.6 | 0 | 0 | 0 | 107.5 | ||||
| 698 | T | 35.7 | Very low | 33.9 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -114.9 | 97.9 | 172.8 | -53.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 699 | N | 31.1 | Very low | 33.9 | Very low | 142 Ų | 142 | 130.1 Ų | 130.1 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | -81.3 | 134.3 | -179.8 | -149.4 | -4.6 | 0 | 0 | 0 | 110.1 | ||||
| 700 | R | 33.1 | Very low | 33.7 | Very low | 242 Ų | 242 | 131.6 Ų | 131.6 | 91% | 0.913 | 79% | 0.79 | S | S | * | * | trans | -154.1 | 73.6 | 169.4 | -131.4 | 179 | -164 | -119 | 1.1 | 114.2 | ||||
| 701 | S | 33.2 | Very low | 33.7 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | -71.9 | 139.5 | 165.3 | -50.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 702 | A | 36.4 | Very low | 33.8 | Very low | 96 Ų | 96 | 135 Ų | 135 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | trans | -149.1 | 117 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 703 | P | 33.9 | Very low | 33.9 | Very low | 103 Ų | 103 | 136.2 Ų | 136.2 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | trans | -101.6 | 127.8 | -179.6 | 35.1 | -29.5 | 0 | 0 | 0 | 113 | ||||
| 704 | V | 37.1 | Very low | 34.1 | Very low | 137 Ų | 137 | 135.6 Ų | 135.6 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | trans | -144.9 | 104.3 | 166.5 | -177.6 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 705 | S | 35.8 | Very low | 34.2 | Very low | 104 Ų | 104 | 132.7 Ų | 132.7 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | 70.5 | 107.3 | 70.3 | -59.2 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 706 | V | 31.9 | Very low | 34.7 | Very low | 129 Ų | 129 | 134.6 Ų | 134.6 | 78% | 0.782 | 78% | 0.783 | S | S | * | * | trans | -66.5 | 157 | 177.7 | -138 | 0 | 0 | 0 | 0 | 111 | ||||
| 707 | P | 35.9 | Very low | 34.7 | Very low | 116 Ų | 116 | 135 Ų | 135 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | -135.3 | 158.5 | 102.5 | 38.4 | -30.1 | 0 | 0 | 0 | 114.4 | |||||
| 708 | V | 32.3 | Very low | 35.1 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | trans | -84.2 | 136.3 | 171.8 | 173.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 709 | T | 35.9 | Very low | 35.2 | Very low | 127 Ų | 127 | 132.3 Ų | 132.3 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | trans | -135.7 | 108.5 | 162.4 | 42.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 710 | N | 31 | Very low | 35.5 | Very low | 146 Ų | 146 | 130.7 Ų | 130.7 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | trans | -76.7 | 130.6 | 163.5 | -75.8 | -12.3 | 0 | 0 | 0 | 109.3 | ||||
| 711 | T | 36.6 | Very low | 35.5 | Very low | 134 Ų | 134 | 125.1 Ų | 125.1 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | -137.1 | 142.5 | 159.5 | -49 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 712 | V | 35 | Very low | 35.8 | Very low | 116 Ų | 116 | 126.9 Ų | 126.9 | 70% | 0.703 | 78% | 0.78 | S | S | * | * | trans | -138.4 | 167.9 | -168.1 | -160.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 713 | I | 38.1 | Very low | 35.5 | Very low | 153 Ų | 153 | 129.7 Ų | 129.7 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | 79.8 | 134.7 | 164.4 | -56.7 | 172 | 0 | 0 | 0 | 114.7 | ||||
| 714 | P | 37.5 | Very low | 35.7 | Very low | 117 Ų | 117 | 129.7 Ų | 129.7 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | cis | -142.9 | -174 | -22.7 | 41.8 | -22.7 | 0 | 0 | 0 | 116.8 | ||||
| 715 | S | 33.6 | Very low | 35.7 | Very low | 103 Ų | 103 | 129.2 Ų | 129.2 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | trans | -42.7 | 150.6 | 169.5 | -38.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 716 | T | 39.2 | Very low | 35.7 | Very low | 135 Ų | 135 | 131.9 Ų | 131.9 | 83% | 0.828 | 78% | 0.776 | S | S | * | * | trans | -151.8 | 102.9 | 130.4 | 49.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 717 | E | 36 | Very low | 35.9 | Very low | 175 Ų | 175 | 131.6 Ų | 131.6 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | 53.3 | 111.9 | 86.8 | -70.7 | -156.3 | 154.5 | 0 | 0 | 117.2 | |||||
| 718 | T | 38.5 | Very low | 35.9 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 91% | 0.908 | 77% | 0.771 | S | S | * | * | trans | -161.8 | 158.1 | 135.1 | -0.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 719 | T | 37 | Very low | 36 | Very low | 128 Ų | 128 | 136.8 Ų | 136.8 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | -134.6 | 143 | -154.4 | 45.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 720 | S | 37 | Very low | 36.1 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | 168.5 | 103.9 | 139.7 | 56.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 721 | T | 34.3 | Very low | 36.4 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | 45.1 | 109.1 | 73.9 | 65.9 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 722 | T | 38 | Very low | 36.9 | Very low | 146 Ų | 146 | 136.2 Ų | 136.2 | 90% | 0.896 | 77% | 0.774 | S | S | * | * | -156.4 | 157.1 | 121.6 | 4.6 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 723 | N | 31.5 | Very low | 37 | Very low | 155 Ų | 155 | 136 Ų | 136 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | trans | -115.7 | -178.3 | -168.9 | -91.4 | -33.1 | 0 | 0 | 0 | 111.9 | ||||
| 724 | S | 38.1 | Very low | 37 | Very low | 102 Ų | 102 | 136.1 Ų | 136.1 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | 88.5 | 147.2 | 157.9 | 89.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 725 | N | 36.8 | Very low | 37.1 | Very low | 128 Ų | 128 | 136.9 Ų | 136.9 | 68% | 0.684 | 78% | 0.781 | S | S | * | * | cis | -160.7 | 157.4 | -9.8 | -122 | -12 | 0 | 0 | 0 | 114.2 | ||||
| 726 | F | 35.5 | Very low | 37.3 | Very low | 159 Ų | 159 | 137.9 Ų | 137.9 | 70% | 0.697 | 78% | 0.778 | S | S | * | * | trans | 50.4 | 122.2 | 147.8 | -72.9 | -54.8 | 0 | 0 | 0 | 124.3 | ||||
| 727 | N | 36.6 | Very low | 37.4 | Very low | 124 Ų | 124 | 137 Ų | 137 | 66% | 0.663 | 77% | 0.769 | S | S | * | * | 85.1 | 124.6 | 122.4 | -77.1 | -27 | 0 | 0 | 0 | 124.2 | |||||
| 728 | R | 34.7 | Very low | 37.5 | Very low | 205 Ų | 205 | 136 Ų | 136 | 77% | 0.774 | 77% | 0.769 | S | S | * | * | 86.1 | 122.4 | 128 | -77.7 | 176.6 | 176.4 | -114.3 | 0.7 | 121.9 | |||||
| 729 | L | 35.2 | Very low | 37.7 | Very low | 139 Ų | 139 | 134 Ų | 134 | 73% | 0.728 | 76% | 0.758 | S | S | * | * | trans | 62 | 111.8 | 133.6 | -66.5 | 162.2 | 0 | 0 | 0 | 119.5 | ||||
| 730 | S | 38.3 | Very low | 37.9 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | -178 | 167.7 | 104.2 | -76.8 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 731 | N | 37.1 | Very low | 38 | Very low | 163 Ų | 163 | 139.3 Ų | 139.3 | 87% | 0.872 | 77% | 0.767 | S | S | * | * | trans | -93.5 | 168.9 | -171.3 | -129 | 24.8 | 0 | 0 | 0 | 113.4 | ||||
| 732 | P | 46.6 | Very low | 38.3 | Very low | 109 Ų | 109 | 139.4 Ų | 139.4 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | trans | -105.9 | 164.2 | -162.8 | 40.5 | -37.2 | 0 | 0 | 0 | 116.8 | ||||
| 733 | S | 38.1 | Very low | 38.6 | Very low | 112 Ų | 112 | 138.6 Ų | 138.6 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | trans | -174.5 | 156.8 | 163.9 | 44 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 734 | L | 37.8 | Very low | 38.8 | Very low | 155 Ų | 155 | 140.3 Ų | 140.3 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | cis | -164.4 | 164.6 | -3 | -113.8 | 165.5 | 0 | 0 | 0 | 108 | ||||
| 735 | V | 38.6 | Very low | 39.1 | Very low | 132 Ų | 132 | 143.5 Ų | 143.5 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | trans | 68 | 152.9 | 154.6 | 159.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 736 | N | 39 | Very low | 39.4 | Very low | 124 Ų | 124 | 140 Ų | 140 | 66% | 0.663 | 77% | 0.766 | S | S | * | * | cis | -167.2 | 180 | -40.4 | -159.5 | 30.3 | 0 | 0 | 0 | 109.5 | ||||
| 737 | D | 40.4 | Very low | 39.7 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 63% | 0.626 | 77% | 0.771 | S | S | * | * | trans | 71.8 | 91.7 | 152.2 | -67.4 | -51.9 | 0 | 0 | 0 | 121.9 | ||||
| 738 | N | 38.5 | Very low | 39.9 | Very low | 154 Ų | 154 | 140.6 Ų | 140.6 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | 62.4 | 141.6 | 118.8 | -95.2 | -28.8 | 0 | 0 | 0 | 123.3 | |||||
| 739 | P | 43.7 | Very low | 40.6 | Very low | 105 Ų | 105 | 142.7 Ų | 142.7 | 68% | 0.682 | 80% | 0.804 | S | S | * | * | trans | -97.3 | 156.6 | 179.6 | 39.3 | -34.6 | 0 | 0 | 0 | 114.1 | ||||
| 740 | N | 40 | Very low | 40.9 | Very low | 161 Ų | 161 | 142.9 Ų | 142.9 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | -170.4 | 102.3 | 148.4 | -107.5 | -40.9 | 0 | 0 | 0 | 112.2 | ||||
| 741 | Q | 38.9 | Very low | 41 | Very low | 186 Ų | 186 | 143.9 Ų | 143.9 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | trans | -159.2 | 136.2 | 148.8 | -128.1 | 169.6 | 76.2 | 0 | 0 | 111.8 | ||||
| 742 | V | 40.2 | Very low | 41.3 | Very low | 128 Ų | 128 | 142.9 Ų | 142.9 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -109.7 | 123.9 | 176.6 | 177.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 743 | V | 44.5 | Very low | 40.9 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 79% | 0.788 | 81% | 0.806 | S | S | * | * | trans | -137 | 140.7 | 163.7 | -177.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 744 | F | 37.2 | Very low | 41.1 | Very low | 190 Ų | 190 | 146.9 Ų | 146.9 | 83% | 0.833 | 81% | 0.808 | S | S | * | * | trans | -110.1 | 116.1 | -175.2 | -126.3 | -91.4 | 0 | 0 | 0 | 109.4 | ||||
| 745 | D | 44.4 | Very low | 41.3 | Very low | 169 Ų | 169 | 146.4 Ų | 146.4 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | trans | 175 | 160.4 | 151.8 | -104.5 | -30.8 | 0 | 0 | 0 | 108.8 | ||||
| 746 | G | 41.8 | Very low | 41.5 | Very low | 55 Ų | 55 | 147.4 Ų | 147.4 | 57% | 0.567 | 81% | 0.808 | S | S | * | * | cis | 162.2 | 111.2 | -4.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 747 | S | 41.7 | Very low | 41.7 | Very low | 113 Ų | 113 | 149.2 Ų | 149.2 | 79% | 0.79 | 82% | 0.819 | S | S | * | * | trans | 68.1 | 134.9 | 168 | -59.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 748 | Q | 42.1 | Very low | 41.9 | Very low | 183 Ų | 183 | 151.9 Ų | 151.9 | 86% | 0.855 | 84% | 0.835 | S | S | * | * | trans | 55.2 | 112.3 | 148.7 | -62.3 | 177.4 | 39.8 | 0 | 0 | 119.9 | ||||
| 749 | I | 49.3 | Very low | 42.2 | Very low | 249 Ų | 249 | 151.7 Ų | 151.7 | 100% | 1.277 | 84% | 0.837 | S | S | * | * | -140.1 | 0 | 89.6 | -89.3 | 160.4 | 0 | 0 | 0 | 108 |
Retrieved 749 of 749 residues in 251.7 ms
(Link to these results)