| 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 | 34.8 | Very low | 31.6 | Very low | 253 Ų | 253 | 160.7 Ų | 160.7 | 100% | 1.246 | 88% | 0.883 | S | S | * | * | 0 | 137.8 | 0 | -71.2 | 170.7 | 173.1 | 0 | 0 | 107.4 | |||||
| 2 | Q | 30 | Very low | 31.4 | Very low | 194 Ų | 194 | 158.6 Ų | 158.6 | 91% | 0.907 | 88% | 0.877 | S | S | * | * | trans | -140.5 | 127.9 | -179.2 | -174.2 | 166.6 | -6.9 | 0 | 0 | 107.8 | ||||
| 3 | L | 36.1 | Very low | 31.1 | Very low | 180 Ų | 180 | 158.5 Ų | 158.5 | 94% | 0.942 | 88% | 0.875 | S | S | * | * | trans | -135.4 | 149.8 | 175.6 | -87.3 | 166.9 | 0 | 0 | 0 | 107 | ||||
| 4 | G | 31.1 | Very low | 31.2 | Very low | 70 Ų | 70 | 158.4 Ų | 158.4 | 72% | 0.722 | 87% | 0.871 | S | S | * | * | trans | -169.6 | 176.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 5 | E | 34.8 | Very low | 32.1 | Very low | 204 Ų | 204 | 156.5 Ų | 156.5 | 95% | 0.953 | 87% | 0.869 | S | S | * | * | trans | -138.4 | 145.3 | 163.7 | -87.4 | -171.2 | 124.2 | 0 | 0 | 109 | ||||
| 6 | Q | 30.1 | Very low | 31.9 | Very low | 181 Ų | 181 | 151 Ų | 151 | 85% | 0.846 | 86% | 0.859 | S | S | * | * | trans | -144.2 | 120.9 | 168.7 | -162.5 | 176.8 | 110.4 | 0 | 0 | 107 | L8 | Q6-L8 PolarHBondContact O-N 3.23Š| ||
| 7 | L | 32 | Very low | 31.8 | Very low | 179 Ų | 179 | 147.5 Ų | 147.5 | 94% | 0.937 | 85% | 0.852 | S | S | * | * | trans | -66.3 | 125.6 | 179.4 | -87.1 | 159.2 | 0 | 0 | 0 | 110.1 | ||||
| 8 | L | 31 | Very low | 31.9 | Very low | 154 Ų | 154 | 148.7 Ų | 148.7 | 81% | 0.806 | 85% | 0.849 | S | S | * | * | trans | -135.5 | 151.5 | 170.4 | -117.6 | 177.6 | 0 | 0 | 0 | 111.1 | Q6 | Q6-L8 PolarHBondContact O-N 3.23Š| ||
| 9 | V | 31.7 | Very low | 31.9 | Very low | 127 Ų | 127 | 151.9 Ų | 151.9 | 77% | 0.77 | 85% | 0.852 | S | S | * | * | trans | -70.1 | 136.3 | -176.6 | 173.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 10 | S | 27.6 | Very low | 31.9 | Very low | 110 Ų | 110 | 154.6 Ų | 154.6 | 77% | 0.769 | 85% | 0.85 | S | S | * | * | trans | -71.7 | 120.8 | -179.8 | 52 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 11 | S | 28.5 | Very low | 32.4 | Very low | 116 Ų | 116 | 153 Ų | 153 | 81% | 0.811 | 85% | 0.847 | S | S | * | * | trans | -165.4 | 81.1 | 166.1 | -80.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 12 | V | 28.8 | Very low | 32.2 | Very low | 135 Ų | 135 | 149.5 Ų | 149.5 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | trans | -147.8 | 122.6 | 169.2 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 13 | N | 27.2 | Very low | 32.2 | Very low | 158 Ų | 158 | 148.1 Ų | 148.1 | 85% | 0.845 | 83% | 0.826 | S | S | * | * | -168.3 | 135.8 | 127.7 | -107.7 | -43.9 | 0 | 0 | 0 | 113.3 | |||||
| 14 | L | 32.7 | Very low | 31.9 | Very low | 157 Ų | 157 | 144.3 Ų | 144.3 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | trans | -152 | 138.1 | 174.2 | -91.2 | 168.7 | 0 | 0 | 0 | 105.6 | ||||
| 15 | P | 44.5 | Very low | 32 | Very low | 130 Ų | 130 | 145.7 Ų | 145.7 | 84% | 0.844 | 82% | 0.819 | S | S | * | * | -146.9 | -178.8 | 82.9 | 35.1 | -15.2 | 0 | 0 | 0 | 113.3 | |||||
| 16 | G | 30 | Very low | 32 | Very low | 68 Ų | 68 | 148.4 Ų | 148.4 | 70% | 0.701 | 82% | 0.821 | S | S | * | * | cis | 159.4 | -178.5 | -7.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 17 | A | 30.3 | Very low | 32 | Very low | 91 Ų | 91 | 144 Ų | 144 | 75% | 0.752 | 82% | 0.824 | S | S | * | * | trans | 72.1 | 119.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 18 | H | 32.2 | Very low | 32 | Very low | 169 Ų | 169 | 139.5 Ų | 139.5 | 78% | 0.782 | 82% | 0.821 | S | S | * | * | trans | 28.6 | 135.7 | 139.7 | -55.3 | -79.9 | 0 | 0 | 0 | 123.3 | ||||
| 19 | F | 32.8 | Very low | 32.2 | Very low | 210 Ų | 210 | 138.4 Ų | 138.4 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | trans | -134.3 | 135.3 | 146.3 | -107.2 | -91.3 | 0 | 0 | 0 | 111.5 | ||||
| 20 | Y | 31.6 | Very low | 32.3 | Very low | 205 Ų | 205 | 136.4 Ų | 136.4 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | trans | -95.9 | 157.3 | 163.3 | -92.8 | -101.4 | 0 | 0 | 0 | 109.2 | ||||
| 21 | P | 43.1 | Very low | 32.5 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 79% | 0.792 | 84% | 0.835 | S | S | * | * | trans | -71.8 | 151.1 | 169.7 | 32.1 | -35.2 | 0 | 0 | 0 | 111.4 | ||||
| 22 | L | 30.9 | Very low | 32.8 | Very low | 179 Ų | 179 | 135.3 Ų | 135.3 | 94% | 0.937 | 84% | 0.837 | S | S | * | * | trans | -138.5 | 157.3 | 167.7 | -154.2 | 111.4 | 0 | 0 | 0 | 110.3 | ||||
| 23 | E | 28.4 | Very low | 33.2 | Very low | 165 Ų | 165 | 134.1 Ų | 134.1 | 77% | 0.771 | 84% | 0.841 | S | S | * | * | trans | -112.6 | 159.2 | -157.6 | -137.6 | -167.5 | 97.4 | 0 | 0 | 114.3 | ||||
| 24 | S | 30.7 | Very low | 33.5 | Very low | 101 Ų | 101 | 130.3 Ų | 130.3 | 71% | 0.706 | 84% | 0.839 | S | S | * | * | trans | 58.2 | 111.3 | 146.7 | -75 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 25 | A | 33.6 | Very low | 33.7 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 82% | 0.818 | 84% | 0.844 | S | S | * | * | trans | -158.2 | 93.3 | 140.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 26 | R | 33.3 | Very low | 33.3 | Very low | 260 Ų | 260 | 133.5 Ų | 133.5 | 98% | 0.981 | 84% | 0.842 | S | S | * | * | trans | 26.5 | 129.2 | 144 | -60.7 | 176.9 | 174.1 | -176.8 | -2.7 | 121.7 | ||||
| 27 | G | 31.5 | Very low | 34.6 | Very low | 88 Ų | 88 | 136.4 Ų | 136.4 | 91% | 0.907 | 85% | 0.849 | S | S | * | * | trans | 160.9 | 107.5 | 144.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 28 | G | 32.1 | Very low | 34.7 | Very low | 85 Ų | 85 | 135.2 Ų | 135.2 | 88% | 0.876 | 85% | 0.846 | S | S | * | * | trans | 136.4 | 145.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 29 | S | 35.7 | Very low | 34.7 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 92% | 0.916 | 85% | 0.853 | S | S | * | * | trans | -141.9 | 141.3 | -164.2 | 59.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 30 | G | 32.6 | Very low | 34.9 | Very low | 86 Ų | 86 | 127 Ų | 127 | 89% | 0.887 | 85% | 0.846 | S | S | * | * | trans | 142.2 | 134 | 152.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 31 | G | 32 | Very low | 35.7 | Very low | 82 Ų | 82 | 123.2 Ų | 123.2 | 85% | 0.845 | 85% | 0.846 | S | S | * | * | trans | 131.2 | 118.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 32 | S | 34.5 | Very low | 35.4 | Very low | 121 Ų | 121 | 122.3 Ų | 122.3 | 85% | 0.846 | 84% | 0.843 | S | S | * | * | trans | -80.7 | 146.2 | -170.3 | -56.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 33 | A | 37.9 | Very low | 36.5 | Very low | 110 Ų | 110 | 118.7 Ų | 118.7 | 91% | 0.909 | 83% | 0.83 | S | S | * | * | trans | 63 | 139.1 | 135.7 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 34 | G | 34.2 | Very low | 36.8 | Very low | 78 Ų | 78 | 119.6 Ų | 119.6 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | trans | 164.2 | 67.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 35 | H | 35 | Very low | 37.2 | Very low | 198 Ų | 198 | 124.3 Ų | 124.3 | 92% | 0.917 | 84% | 0.842 | S | S | * | * | trans | 40.3 | 139.7 | 156.1 | -101 | 34.7 | 0 | 0 | 0 | 124.6 | ||||
| 36 | L | 36 | Very low | 37.1 | Very low | 155 Ų | 155 | 127.8 Ų | 127.8 | 81% | 0.812 | 85% | 0.846 | S | S | * | * | trans | -94.4 | -172.7 | 158.1 | -68.8 | 167.8 | 0 | 0 | 0 | 109.6 | ||||
| 37 | P | 59.1 | Low | 37.1 | Very low | 129 Ų | 129 | 122 Ų | 122 | 84% | 0.838 | 83% | 0.834 | S | S | * | * | cis | -122 | -171.8 | -13.1 | 16.9 | 9.5 | 0 | 0 | 0 | 111.8 | ||||
| 38 | G | 31.5 | Very low | 37.3 | Very low | 67 Ų | 67 | 124.6 Ų | 124.6 | 69% | 0.691 | 83% | 0.827 | S | S | * | * | cis | 154.7 | -165.2 | -4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 39 | A | 32.1 | Very low | 37.4 | Very low | 113 Ų | 113 | 127.7 Ų | 127.7 | 93% | 0.934 | 82% | 0.824 | S | S | * | * | trans | 74.3 | 144.9 | 172 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 40 | A | 37.5 | Very low | 37.3 | Very low | 94 Ų | 94 | 130.3 Ų | 130.3 | 78% | 0.777 | 82% | 0.818 | S | S | * | * | trans | -114.5 | -167 | 174 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 41 | P | 49 | Very low | 37.3 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | cis | -141.3 | -165.6 | 13.2 | 41.8 | -19.1 | 0 | 0 | 0 | 116.5 | ||||
| 42 | S | 35.6 | Very low | 37.4 | Very low | 104 Ų | 104 | 131.6 Ų | 131.6 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -79 | -175 | 165.6 | 60.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 43 | P | 53.4 | Low | 37.3 | Very low | 103 Ų | 103 | 134.8 Ų | 134.8 | 67% | 0.669 | 81% | 0.805 | S | S | * | * | cis | -154 | -177.1 | 30.6 | 45.8 | -22.6 | 0 | 0 | 0 | 120.5 | ||||
| 44 | Q | 34.5 | Very low | 37.3 | Very low | 183 Ų | 183 | 138.2 Ų | 138.2 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | 48.3 | 111.5 | 142.4 | -72.9 | 171.4 | 0.1 | 0 | 0 | 124.8 | ||||
| 45 | K | 40.5 | Very low | 37 | Very low | 200 Ų | 200 | 142.9 Ų | 142.9 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | 23.8 | 131.6 | 121.7 | -166.2 | -174.7 | -177 | -171.3 | 0 | 121.3 | |||||
| 46 | L | 30.4 | Very low | 36.9 | Very low | 172 Ų | 172 | 138.3 Ų | 138.3 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | trans | -153.7 | -173.1 | 154 | -116.8 | 168.8 | 0 | 0 | 0 | 112.6 | ||||
| 47 | D | 34.8 | Very low | 36.5 | Very low | 138 Ų | 138 | 134 Ų | 134 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | trans | -139.9 | 173.5 | -157.2 | -149.5 | -26.9 | 0 | 0 | 0 | 114.1 | ||||
| 48 | L | 35.4 | Very low | 35.3 | Very low | 143 Ų | 143 | 133.1 Ų | 133.1 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | trans | 80.6 | 111.6 | 162.5 | -116.6 | 73.8 | 0 | 0 | 0 | 123.1 | ||||
| 49 | D | 34.5 | Very low | 35.4 | Very low | 151 Ų | 151 | 137 Ų | 137 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | trans | 66.4 | 147.2 | 132 | -111.7 | -52.9 | 0 | 0 | 0 | 127.8 | ||||
| 50 | K | 31.8 | Very low | 35.4 | Very low | 185 Ų | 185 | 136.2 Ų | 136.2 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 109.3 | 97.3 | 137.4 | -153.2 | 167.8 | -170.7 | 169.7 | 0 | 124.6 | ||||
| 51 | A | 34.6 | Very low | 35.1 | Very low | 91 Ų | 91 | 136 Ų | 136 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | trans | 61.3 | 174.2 | 140.5 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 52 | S | 33.4 | Very low | 34.2 | Very low | 104 Ų | 104 | 138.3 Ų | 138.3 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | cis | -163 | 161 | 16.6 | -44.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 53 | K | 32.6 | Very low | 34 | Very low | 188 Ų | 188 | 137 Ų | 137 | 82% | 0.817 | 76% | 0.757 | S | S | * | * | trans | 146.3 | 120.5 | 139 | -82.4 | 164.6 | -176.5 | 172.5 | 0 | 114.3 | ||||
| 54 | K | 37 | Very low | 32.9 | Very low | 182 Ų | 182 | 138.2 Ų | 138.2 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | 73.9 | 141.5 | 100.2 | -67.9 | -166.1 | 168.1 | -168.2 | 0 | 115.3 | |||||
| 55 | F | 28.9 | Very low | 32.7 | Very low | 176 Ų | 176 | 135.2 Ų | 135.2 | 77% | 0.772 | 76% | 0.762 | S | S | * | * | cis | -148.6 | -165.4 | 11.4 | -147.5 | -119.1 | 0 | 0 | 0 | 113.3 | ||||
| 56 | S | 31.4 | Very low | 32.1 | Very low | 103 Ų | 103 | 129.3 Ų | 129.3 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | trans | -65.3 | 166.3 | -170.8 | 56.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 57 | G | 29.4 | Very low | 32.3 | Very low | 64 Ų | 64 | 129 Ų | 129 | 66% | 0.66 | 75% | 0.752 | S | S | * | * | cis | -162.8 | 170.7 | 9.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 58 | S | 33 | Very low | 33 | Very low | 111 Ų | 111 | 128.3 Ų | 128.3 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | 81.7 | 121 | 83.7 | 174 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 59 | L | 34.4 | Very low | 33 | Very low | 147 Ų | 147 | 125.4 Ų | 125.4 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | cis | -155 | 135.3 | 2.5 | -102.6 | 168.8 | 0 | 0 | 0 | 106.8 | ||||
| 60 | S | 32.4 | Very low | 33.2 | Very low | 97 Ų | 97 | 122.8 Ų | 122.8 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | 68.3 | 149.3 | 102.3 | -76.6 | 0 | 0 | 0 | 0 | 117 | |||||
| 61 | C | 29.7 | Very low | 33.4 | Very low | 89 Ų | 89 | 118.2 Ų | 118.2 | 60% | 0.601 | 75% | 0.747 | S | S | * | * | cis | -154.2 | 160 | 1.1 | -117.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 62 | E | 30.4 | Very low | 33.3 | Very low | 173 Ų | 173 | 119.6 Ų | 119.6 | 81% | 0.808 | 75% | 0.751 | S | S | * | * | trans | 34.3 | 157.8 | 134.3 | -63.5 | 176 | 112.7 | 0 | 0 | 123.9 | ||||
| 63 | A | 31.2 | Very low | 33.3 | Very low | 77 Ų | 77 | 119.6 Ų | 119.6 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | cis | -177.8 | -174.8 | -25.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 64 | V | 30.5 | Very low | 33 | Very low | 129 Ų | 129 | 114.5 Ų | 114.5 | 78% | 0.782 | 76% | 0.758 | S | S | * | * | trans | 71.4 | 107.3 | 147.4 | 168.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 65 | S | 30.7 | Very low | 32.9 | Very low | 120 Ų | 120 | 110.5 Ų | 110.5 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | trans | 43.6 | 143.8 | 139.9 | 75.5 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 66 | G | 28.7 | Very low | 34 | Very low | 76 Ų | 76 | 107.9 Ų | 107.9 | 78% | 0.784 | 76% | 0.76 | S | S | * | * | trans | 172.4 | 102.8 | 152.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 67 | E | 33.3 | Very low | 34.1 | Very low | 165 Ų | 165 | 107.7 Ų | 107.7 | 77% | 0.771 | 77% | 0.765 | S | S | * | * | trans | -85.5 | 155 | 154.9 | -150.9 | -156.5 | 123.1 | 0 | 0 | 108.4 | ||||
| 68 | P | 49.6 | Very low | 34.3 | Very low | 124 Ų | 124 | 108.7 Ų | 108.7 | 81% | 0.805 | 77% | 0.767 | S | S | * | * | -148.9 | 176.8 | 100.6 | 39.4 | -23.2 | 0 | 0 | 0 | 114.8 | |||||
| 69 | A | 35.8 | Very low | 34.3 | Very low | 81 Ų | 81 | 111.1 Ų | 111.1 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | trans | -107 | 174 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 70 | A | 38 | Very low | 34.4 | Very low | 96 Ų | 96 | 111 Ų | 111 | 79% | 0.793 | 77% | 0.767 | S | S | * | * | trans | 104.4 | 123.4 | 143.3 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 71 | A | 36.2 | Very low | 34.5 | Very low | 89 Ų | 89 | 110.8 Ų | 110.8 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | trans | 90.5 | 136.3 | 130.3 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 72 | S | 33.2 | Very low | 34.6 | Very low | 120 Ų | 120 | 113.1 Ų | 113.1 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | trans | 63.7 | 160.6 | 150.3 | 67.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 73 | A | 32.2 | Very low | 34.8 | Very low | 104 Ų | 104 | 111 Ų | 111 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | cis | -170.3 | 164.7 | -34.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 74 | G | 27.9 | Very low | 34.9 | Very low | 81 Ų | 81 | 114.5 Ų | 114.5 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | 119.1 | 152 | 161.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 75 | A | 34.4 | Very low | 35.1 | Very low | 99 Ų | 99 | 112.6 Ų | 112.6 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -120.1 | -157.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 76 | P | 51.9 | Low | 35.1 | Very low | 120 Ų | 120 | 110.3 Ų | 110.3 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | cis | -144.3 | -171.5 | 15.1 | 45.3 | -25 | 0 | 0 | 0 | 117.7 | ||||
| 77 | A | 33 | Very low | 35.3 | Very low | 99 Ų | 99 | 114.9 Ų | 114.9 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | 71.5 | 159.6 | 159.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 78 | A | 34.7 | Very low | 35.4 | Very low | 85 Ų | 85 | 111 Ų | 111 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | cis | -151.3 | 141.3 | 6.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 79 | M | 32.8 | Very low | 34.4 | Very low | 162 Ų | 162 | 114.9 Ų | 114.9 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | 109.9 | 128.4 | 90 | -92 | -76.9 | -168.4 | 0 | 0 | 114 | |||||
| 80 | L | 36.7 | Very low | 34.3 | Very low | 145 Ų | 145 | 114.9 Ų | 114.9 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | trans | 65 | 138.7 | 156.2 | -50.5 | 171 | 0 | 0 | 0 | 117.8 | ||||
| 81 | S | 33.7 | Very low | 34 | Very low | 92 Ų | 92 | 115.4 Ų | 115.4 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | cis | 74.5 | 137.6 | 27.1 | 89.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 82 | D | 31.9 | Very low | 33.8 | Very low | 139 Ų | 139 | 115.9 Ų | 115.9 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | cis | -168 | -176.6 | -10.3 | -143.6 | -50.7 | 0 | 0 | 0 | 107.8 | ||||
| 83 | T | 35.4 | Very low | 33.8 | Very low | 129 Ų | 129 | 114.4 Ų | 114.4 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | 60.3 | 172.2 | 163.2 | 54.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 84 | D | 33 | Very low | 33.7 | Very low | 150 Ų | 150 | 115.9 Ų | 115.9 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | cis | -166.4 | 160.4 | -42.5 | -179.8 | 34.9 | 0 | 0 | 0 | 108 | ||||
| 85 | A | 34.5 | Very low | 33.9 | Very low | 88 Ų | 88 | 118.7 Ų | 118.7 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | 59.4 | 155 | 174.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 86 | G | 30.8 | Very low | 33.7 | Very low | 72 Ų | 72 | 118.9 Ų | 118.9 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | cis | 124.2 | 100 | -6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 87 | D | 32 | Very low | 32.7 | Very low | 172 Ų | 172 | 122.7 Ų | 122.7 | 92% | 0.92 | 78% | 0.781 | S | S | * | * | trans | -157.6 | 167.1 | 164.1 | -140.9 | -28.4 | 0 | 0 | 0 | 112.1 | ||||
| 88 | A | 35 | Very low | 33.4 | Very low | 84 Ų | 84 | 123.7 Ų | 123.7 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | trans | -134.7 | 154.3 | -166.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 89 | F | 29.1 | Very low | 33.1 | Very low | 205 Ų | 205 | 122.8 Ų | 122.8 | 90% | 0.899 | 78% | 0.778 | S | S | * | * | trans | -152.3 | 158.7 | 153.9 | -147.2 | -100.7 | 0 | 0 | 0 | 113 | ||||
| 90 | A | 34.4 | Very low | 34.1 | Very low | 81 Ų | 81 | 121.2 Ų | 121.2 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | trans | -144.8 | 155.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 91 | S | 31.4 | Very low | 35 | Very low | 107 Ų | 107 | 119.5 Ų | 119.5 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | -163.7 | 125.8 | 162.2 | -76.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 92 | A | 32.1 | Very low | 35 | Very low | 100 Ų | 100 | 122.8 Ų | 122.8 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | 72 | 133.4 | 62.8 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 93 | A | 32.9 | Very low | 34.9 | Very low | 89 Ų | 89 | 119.8 Ų | 119.8 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | cis | -167.5 | -172.5 | -10.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 94 | V | 30.9 | Very low | 34.8 | Very low | 134 Ų | 134 | 124.6 Ų | 124.6 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | 73.6 | 123.1 | 168.2 | -169.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 95 | V | 31.3 | Very low | 34.7 | Very low | 140 Ų | 140 | 127.6 Ų | 127.6 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | cis | 98.5 | 108.8 | 24.2 | 178.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 96 | A | 30.8 | Very low | 34.4 | Very low | 103 Ų | 103 | 127.2 Ų | 127.2 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | trans | -157.9 | 139.3 | 161.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 97 | K | 31.3 | Very low | 34.4 | Very low | 200 Ų | 200 | 129.3 Ų | 129.3 | 87% | 0.87 | 81% | 0.807 | S | S | * | * | trans | -167 | 168.4 | 171.5 | -118.6 | -167.4 | 175.5 | 179.3 | 0 | 106.8 | ||||
| 98 | P | 45.9 | Very low | 34.7 | Very low | 121 Ų | 121 | 126.9 Ų | 126.9 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | cis | -108.6 | -168.9 | 9.1 | 18.8 | 6.5 | 0 | 0 | 0 | 112.1 | ||||
| 99 | G | 29 | Very low | 34.5 | Very low | 65 Ų | 65 | 129.1 Ų | 129.1 | 67% | 0.67 | 81% | 0.81 | S | S | * | * | cis | 90.7 | 157.4 | 22.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 100 | P | 53.1 | Low | 34.5 | Very low | 129 Ų | 129 | 123 Ų | 123 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | cis | -101.8 | -142 | -1.6 | 39.3 | -24.3 | 0 | 0 | 0 | 110.4 | ||||
| 101 | P | 56.8 | Low | 34.3 | Very low | 110 Ų | 110 | 128.4 Ų | 128.4 | 71% | 0.714 | 82% | 0.817 | S | S | * | * | cis | -136.9 | -170.2 | -7.7 | 42.2 | -21.1 | 0 | 0 | 0 | 117.7 | ||||
| 102 | D | 33.2 | Very low | 34.3 | Very low | 160 Ų | 160 | 133 Ų | 133 | 86% | 0.856 | 83% | 0.826 | S | S | * | * | trans | 18.6 | 129.8 | 158.5 | -68.7 | -54 | 0 | 0 | 0 | 124.6 | ||||
| 103 | G | 30.9 | Very low | 34.3 | Very low | 76 Ų | 76 | 136.7 Ų | 136.7 | 78% | 0.784 | 83% | 0.826 | S | S | * | * | trans | -167.8 | -18.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 104 | R | 31.9 | Very low | 34.8 | Very low | 230 Ų | 230 | 139.7 Ų | 139.7 | 87% | 0.868 | 83% | 0.83 | S | S | * | * | trans | 53 | 128.6 | 170.2 | -77.2 | -177.2 | 169.3 | 179.3 | -2.7 | 120.7 | ||||
| 105 | K | 31.3 | Very low | 35.2 | Very low | 213 Ų | 213 | 139 Ų | 139 | 93% | 0.926 | 83% | 0.828 | S | S | * | * | trans | 71.3 | 139.9 | 169.6 | -53.8 | 178.1 | 178.8 | -178.3 | 0 | 115.4 | ||||
| 106 | G | 28.1 | Very low | 35.6 | Very low | 81 Ų | 81 | 136.2 Ų | 136.2 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | cis | 131 | 99.9 | -11 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 107 | S | 30.1 | Very low | 36.3 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -154.1 | 133.5 | 165.9 | -168.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 108 | P | 38.3 | Very low | 36.7 | Very low | 121 Ų | 121 | 129 Ų | 129 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | trans | -94.9 | 176.7 | 177.8 | 38.2 | -35.1 | 0 | 0 | 0 | 112.8 | ||||
| 109 | C | 31.7 | Very low | 36.4 | Very low | 131 Ų | 131 | 126.8 Ų | 126.8 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | trans | -64.4 | 155 | 167.8 | -58.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 110 | G | 28.4 | Very low | 37 | Very low | 78 Ų | 78 | 127.1 Ų | 127.1 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -129.8 | 128.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 111 | E | 31.2 | Very low | 36.4 | Very low | 194 Ų | 194 | 124 Ų | 124 | 91% | 0.907 | 77% | 0.765 | S | S | * | * | trans | -94.7 | 132.8 | 175 | -58.2 | 177.3 | 128.8 | 0 | 0 | 108.2 | E113 | E111-E113 PolarHBondContact O-N 2.98Š| ||
| 112 | E | 31.4 | Very low | 35.4 | Very low | 202 Ų | 202 | 121.8 Ų | 121.8 | 94% | 0.944 | 76% | 0.757 | S | S | * | * | trans | -80 | 105.2 | 178.9 | -79.1 | -153.2 | 115.2 | 0 | 0 | 111.7 | ||||
| 113 | E | 31.7 | Very low | 35.7 | Very low | 178 Ų | 178 | 117.6 Ų | 117.6 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 129.6 | 173.9 | -167.7 | -175.9 | 135.9 | 0 | 0 | 111.6 | E111 | E111-E113 PolarHBondContact O-N 2.98Š|
| 114 | L | 43 | Very low | 36.1 | Very low | 153 Ų | 153 | 117 Ų | 117 | 80% | 0.801 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 136.6 | 174.4 | -72.4 | 168.3 | 0 | 0 | 0 | 111.1 | S116 | L114-S116 PolarHBondContact O-N 2.83Š|
| 115 | P | 39.1 | Very low | 36.3 | Very low | 120 Ų | 120 | 109.1 Ų | 109.1 | 78% | 0.779 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 120.4 | -174.8 | 24.6 | -34.2 | 0 | 0 | 0 | 112.6 | ||
| 116 | S | 41.3 | Very low | 36.6 | Very low | 81 Ų | 81 | 102.1 Ų | 102.1 | 57% | 0.566 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 147.7 | -177.7 | 179.3 | 0 | 0 | 0 | 0 | 114.2 | L114 A118 A119 | L114-S116 PolarHBondContact O-N 2.83Å; S116-A118 PolarHBondContact O-N 3.3Å; S116-A119 PolarHBondContact O-N 3.03Å |
| 117 | A | 45.5 | Very low | 37.2 | Very low | 82 Ų | 82 | 101.5 Ų | 101.5 | 68% | 0.678 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -20.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | A119 A120 A121 | A117-A119 VanDerWaalsContact C-N 3.28Å; A117-A119 PolarHBondContact O-N 2.98Å; A117-A120 PolarHBondContact O-N 2.87Å; A117-A121 PolarHBondContact O-N 3.12Å |
| 118 | A | 37.9 | Very low | 37.6 | Very low | 69 Ų | 69 | 98.9 Ų | 98.9 | 57% | 0.57 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -58.5 | -36.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S116 A120 A121 A122 | S116-A118 PolarHBondContact O-N 3.3Å; A118-A120 VanDerWaalsContact C-N 3.31Å; A118-A120 PolarHBondContact O-N 3.4Å; A118-A121 PolarHBondContact O-N 3.13Å; A118-A122 PolarHBondContact O-N 3.35Å |
| 119 | A | 39.5 | Very low | 37.5 | Very low | 75 Ų | 75 | 96.2 Ų | 96.2 | 62% | 0.62 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -65.5 | -33.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S116 A117 | S116-A119 PolarHBondContact O-N 3.03Å; A117-A119 VanDerWaalsContact C-N 3.28Å; A117-A119 PolarHBondContact O-N 2.98Å |
| 120 | A | 42.5 | Very low | 37.8 | Very low | 72 Ų | 72 | 93.7 Ų | 93.7 | 60% | 0.595 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -72.4 | -34 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A117 A118 A124 | A117-A120 PolarHBondContact O-N 2.87Å; A118-A120 VanDerWaalsContact C-N 3.31Å; A118-A120 PolarHBondContact O-N 3.4Å; A120-A124 PolarHBondContact O-N 3.45Å |
| 121 | A | 40.3 | Very low | 38.4 | Very low | 63 Ų | 63 | 94.3 Ų | 94.3 | 52% | 0.521 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -67.3 | -40.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A117 A118 A123 A124 A125 | A117-A121 PolarHBondContact O-N 3.12Å; A118-A121 PolarHBondContact O-N 3.13Å; A121-A123 VanDerWaalsContact C-N 3.33Å; A121-A123 PolarHBondContact O-N 3.1Å; A121-A124 PolarHBondContact O-N 3.38Å; A121-A125 PolarHBondContact O-N 3.24Å |
| 122 | A | 35.8 | Very low | 38.8 | Very low | 64 Ų | 64 | 90.1 Ų | 90.1 | 53% | 0.529 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -59.8 | -41.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A118 A124 A125 A126 | A118-A122 PolarHBondContact O-N 3.35Å; A122-A124 VanDerWaalsContact C-N 3.34Å; A122-A124 PolarHBondContact O-N 3.3Å; A122-A125 PolarHBondContact O-N 3.19Å; A122-A126 PolarHBondContact O-N 3.25Å; A122-A126 VanDerWaalsContact O-N 3.14Å |
| 123 | A | 39.3 | Very low | 38.9 | Very low | 71 Ų | 71 | 84.7 Ų | 84.7 | 59% | 0.587 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -65.1 | -35.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A121 | A121-A123 VanDerWaalsContact C-N 3.33Å; A121-A123 PolarHBondContact O-N 3.1Å |
| 124 | A | 39.4 | Very low | 39 | Very low | 65 Ų | 65 | 87.1 Ų | 87.1 | 54% | 0.537 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -70.6 | -40.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A120 A121 A122 A126 A127 A128 | A120-A124 PolarHBondContact O-N 3.45Å; A121-A124 PolarHBondContact O-N 3.38Å; A122-A124 VanDerWaalsContact C-N 3.34Å; A122-A124 PolarHBondContact O-N 3.3Å; A124-A126 PolarHBondContact O-N 3.3Å; A124-A127 PolarHBondContact O-N 3.31Å; A124-A128 PolarHBondContact O-N 2.88Å |
| 125 | A | 36.5 | Very low | 38.4 | Very low | 64 Ų | 64 | 91 Ų | 91 | 53% | 0.529 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -62.6 | -40.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A121 A122 A127 A128 A129 | A121-A125 PolarHBondContact O-N 3.24Å; A122-A125 PolarHBondContact O-N 3.19Å; A125-A127 VanDerWaalsContact C-N 3.31Å; A125-A127 PolarHBondContact O-N 2.96Å; A125-A128 PolarHBondContact O-N 2.82Å; A125-A129 PolarHBondContact O-N 3.24Å; A125-A129 VanDerWaalsContact O-N 3.1Å |
| 126 | A | 37.9 | Very low | 37.9 | Very low | 65 Ų | 65 | 91.1 Ų | 91.1 | 54% | 0.537 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -60.6 | -37.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A122 A124 A130 | A122-A126 PolarHBondContact O-N 3.25Å; A122-A126 VanDerWaalsContact O-N 3.14Å; A124-A126 PolarHBondContact O-N 3.3Å; A126-A130 PolarHBondContact O-N 1.77Å |
| 127 | A | 40.8 | Very low | 37.5 | Very low | 68 Ų | 68 | 94.8 Ų | 94.8 | 56% | 0.562 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -68.3 | -36.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A124 A125 | A124-A127 PolarHBondContact O-N 3.31Å; A125-A127 VanDerWaalsContact C-N 3.31Å; A125-A127 PolarHBondContact O-N 2.96Å |
| 128 | A | 38.3 | Very low | 36.8 | Very low | 60 Ų | 60 | 98 Ų | 98 | 50% | 0.496 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -69.4 | -37.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A124 A125 A130 A131 T132 | A124-A128 PolarHBondContact O-N 2.88Å; A125-A128 PolarHBondContact O-N 2.82Å; A128-A130 PolarHBondContact O-N 3.48Å; A128-A131 PolarHBondContact O-N 3.16Å; A128-T132 PolarHBondContact O-OG1 2.76Å |
| 129 | A | 35.7 | Very low | 36.2 | Very low | 66 Ų | 66 | 99.4 Ų | 99.4 | 55% | 0.545 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -60.2 | -43.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | A125 A131 T132 | A125-A129 PolarHBondContact O-N 3.24Å; A125-A129 VanDerWaalsContact O-N 3.1Å; A129-A131 VanDerWaalsContact C-N 3.29Å; A129-A131 PolarHBondContact O-N 3.18Å; A129-T132 PolarHBondContact O-N 3.49Å; A129-T132 VanDerWaalsContact O-N 3.1Å |
| 130 | A | 39 | Very low | 35.8 | Very low | 78 Ų | 78 | 103.1 Ų | 103.1 | 65% | 0.645 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -61.5 | -33.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A126 A128 T132 | A126-A130 PolarHBondContact O-N 1.77Å; A128-A130 PolarHBondContact O-N 3.48Å; A130-T132 VanDerWaalsContact C-N 3.26Å; A130-T132 PolarHBondContact O-N 2.93Å |
| 131 | A | 40.5 | Very low | 35.1 | Very low | 91 Ų | 91 | 104.9 Ų | 104.9 | 75% | 0.752 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -12 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | A128 A129 | A128-A131 PolarHBondContact O-N 3.16Å; A129-A131 VanDerWaalsContact C-N 3.29Å; A129-A131 PolarHBondContact O-N 3.18Å |
| 132 | T | 39.2 | Very low | 34.6 | Very low | 106 Ų | 106 | 106.9 Ų | 106.9 | 65% | 0.65 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | -3.1 | -173.3 | -48.8 | 0 | 0 | 0 | 0 | 112.7 | A128 A129 A130 R134 | A128-T132 PolarHBondContact O-OG1 2.76Å; A129-T132 PolarHBondContact O-N 3.49Å; A129-T132 VanDerWaalsContact O-N 3.1Å; A130-T132 VanDerWaalsContact C-N 3.26Å; A130-T132 PolarHBondContact O-N 2.93Å; T132-R134 PolarHBondContact O-N 2.78Å |
| 133 | A | 32.7 | Very low | 34.1 | Very low | 87 Ų | 87 | 110.5 Ų | 110.5 | 72% | 0.719 | 69% | 0.687 | S | S | * | * | trans | -73.5 | 89.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 134 | R | 34.8 | Very low | 33.8 | Very low | 229 Ų | 229 | 115.4 Ų | 115.4 | 86% | 0.864 | 69% | 0.69 | S | S | * | * | trans | -47.4 | 145.8 | -169.5 | -55.3 | -179.2 | 176.7 | -176.3 | -2.5 | 116.5 | T132 | T132-R134 PolarHBondContact O-N 2.78Š| ||
| 135 | Y | 31.1 | Very low | 33.5 | Very low | 235 Ų | 235 | 120.8 Ų | 120.8 | 92% | 0.922 | 70% | 0.698 | S | S | * | * | trans | -53.9 | 135.4 | 144.2 | -90 | -105 | 0 | 0 | 0 | 110.1 | ||||
| 136 | S | 27.1 | Very low | 33.1 | Very low | 123 Ų | 123 | 128 Ų | 128 | 86% | 0.86 | 71% | 0.713 | S | S | * | * | trans | -127.1 | 137.8 | 163.4 | -168 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 137 | M | 34.5 | Very low | 33 | Very low | 157 Ų | 157 | 131 Ų | 131 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | trans | -152.1 | 112.1 | -170 | -167 | -70.3 | -160.8 | 0 | 0 | 108.6 | ||||
| 138 | D | 29.3 | Very low | 33.4 | Very low | 151 Ų | 151 | 133.2 Ų | 133.2 | 81% | 0.807 | 73% | 0.728 | S | S | * | * | trans | -172.1 | 166.4 | 140.9 | -125.9 | -44.7 | 0 | 0 | 0 | 114.6 | ||||
| 139 | S | 25.2 | Very low | 33.1 | Very low | 98 Ų | 98 | 135.5 Ų | 135.5 | 69% | 0.685 | 74% | 0.74 | S | S | * | * | trans | 82.1 | 79 | 155.7 | -140.1 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 140 | L | 32.4 | Very low | 33.9 | Very low | 152 Ų | 152 | 138.4 Ų | 138.4 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | 58.2 | 138.3 | 114.9 | -62.2 | 168.9 | 0 | 0 | 0 | 125.1 | |||||
| 141 | S | 27.1 | Very low | 33.5 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | trans | 71.8 | 152.3 | 142.5 | 61.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 142 | S | 29.2 | Very low | 34.1 | Very low | 106 Ų | 106 | 139.3 Ų | 139.3 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | cis | -169.1 | 178.5 | -12.4 | -98.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 143 | E | 25.8 | Very low | 33.8 | Very low | 140 Ų | 140 | 143.4 Ų | 143.4 | 65% | 0.654 | 77% | 0.769 | S | S | * | * | trans | 73.8 | 161.4 | 165.5 | -59.9 | -64.6 | 116.4 | 0 | 0 | 120.1 | ||||
| 144 | R | 33.1 | Very low | 33.7 | Very low | 174 Ų | 174 | 143 Ų | 143 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | -170.1 | 138.3 | -67.4 | -107.1 | -157.2 | -74.6 | -162.1 | -11.5 | 113.4 | |||||
| 145 | Y | 32.8 | Very low | 33.7 | Very low | 178 Ų | 178 | 137.6 Ų | 137.6 | 70% | 0.698 | 77% | 0.771 | S | S | * | * | trans | 72 | 164.2 | 148.4 | -75.2 | -131.9 | 0 | 0 | 0 | 117.7 | ||||
| 146 | Y | 29.5 | Very low | 33.5 | Very low | 216 Ų | 216 | 134.5 Ų | 134.5 | 85% | 0.847 | 76% | 0.764 | S | S | * | * | cis | -145 | 177.3 | 33.1 | -129.8 | -89.7 | 0 | 0 | 0 | 117.3 | ||||
| 147 | L | 34.6 | Very low | 33.8 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 67% | 0.67 | 76% | 0.763 | S | S | * | * | trans | -83.9 | 173.4 | -169 | -105.2 | 159.7 | 0 | 0 | 0 | 115.8 | ||||
| 148 | P | 49.3 | Very low | 33.7 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | -159 | 149.8 | 68.2 | 41.6 | -18.8 | 0 | 0 | 0 | 122.5 | |||||
| 149 | S | 31.2 | Very low | 33.9 | Very low | 108 Ų | 108 | 131 Ų | 131 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | trans | 52.6 | 165 | 135.9 | -59.2 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 150 | P | 54.1 | Low | 35.2 | Very low | 128 Ų | 128 | 132.6 Ų | 132.6 | 83% | 0.831 | 77% | 0.774 | S | S | * | * | cis | -123.5 | -172.5 | -6.4 | 37.4 | -18.8 | 0 | 0 | 0 | 115.3 | ||||
| 151 | G | 30.7 | Very low | 35.1 | Very low | 67 Ų | 67 | 131 Ų | 131 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | trans | -87.4 | -157.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 152 | P | 52.8 | Low | 35.4 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | cis | -148.1 | 175.1 | 49.8 | 43.8 | -25 | 0 | 0 | 0 | 118.8 | ||||
| 153 | Q | 31.6 | Very low | 36 | Very low | 192 Ų | 192 | 133.5 Ų | 133.5 | 90% | 0.897 | 78% | 0.778 | S | S | * | * | trans | 45.1 | 108.4 | 151 | -56.8 | -91.5 | -1 | 0 | 0 | 118.7 | ||||
| 154 | G | 31.8 | Very low | 36.3 | Very low | 78 Ų | 78 | 136.6 Ų | 136.6 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | 123.7 | 159.8 | 80.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 155 | S | 33.6 | Very low | 37.3 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | cis | -152.1 | 165.9 | 0.6 | 55.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 156 | E | 28.9 | Very low | 37 | Very low | 169 Ų | 169 | 134.6 Ų | 134.6 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | -16.2 | 162.5 | 158.6 | -69.8 | -168.9 | 105.3 | 0 | 0 | 120.1 | ||||
| 157 | L | 33.1 | Very low | 37.1 | Very low | 160 Ų | 160 | 132 Ų | 132 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | cis | 174.4 | 176.9 | -23.5 | -114.5 | 173.6 | 0 | 0 | 0 | 105.4 | ||||
| 158 | A | 32.6 | Very low | 36.9 | Very low | 100 Ų | 100 | 130.1 Ų | 130.1 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | trans | -79 | 153.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 159 | A | 33.5 | Very low | 36 | Very low | 98 Ų | 98 | 129.5 Ų | 129.5 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | -147.7 | 155.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 160 | P | 51.1 | Low | 35.9 | Very low | 131 Ų | 131 | 129.7 Ų | 129.7 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -119.7 | -157.5 | -163.9 | 42.4 | -28 | 0 | 0 | 0 | 114.8 | ||||
| 161 | C | 30.5 | Very low | 34.5 | Very low | 119 Ų | 119 | 127.2 Ų | 127.2 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -88.7 | 162.1 | -160.4 | -48.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 162 | S | 34.5 | Very low | 34.7 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | trans | 118.8 | 123.6 | 135.8 | 74.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 163 | L | 41.4 | Very low | 34.6 | Very low | 160 Ų | 160 | 127.9 Ų | 127.9 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | trans | 50.3 | 134.4 | 140.4 | -69.8 | 166 | 0 | 0 | 0 | 124.2 | ||||
| 164 | F | 32.7 | Very low | 34.5 | Very low | 206 Ų | 206 | 127.4 Ų | 127.4 | 90% | 0.904 | 80% | 0.803 | S | S | * | * | trans | -158.6 | 168.2 | 154.4 | -95 | -53 | 0 | 0 | 0 | 110.8 | ||||
| 165 | P | 52.8 | Low | 34.6 | Very low | 108 Ų | 108 | 127.1 Ų | 127.1 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | -136.7 | -156.8 | -129.8 | 41.6 | -20.3 | 0 | 0 | 0 | 118.9 | |||||
| 166 | Y | 26.9 | Very low | 35.6 | Very low | 202 Ų | 202 | 127.3 Ų | 127.3 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | trans | 81.5 | 131.2 | -176.9 | -85 | -107.1 | 0 | 0 | 0 | 116.6 | ||||
| 167 | Q | 32.1 | Very low | 36 | Very low | 161 Ų | 161 | 125.4 Ų | 125.4 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | cis | 86.5 | 134.6 | 34 | -71.7 | -173.4 | -77.5 | 0 | 0 | 115.3 | ||||
| 168 | A | 29.7 | Very low | 36.5 | Very low | 88 Ų | 88 | 128 Ų | 128 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | cis | -169.5 | 172.3 | -9.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 169 | A | 31.4 | Very low | 37.5 | Very low | 100 Ų | 100 | 129.2 Ų | 129.2 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | trans | 88.9 | 147.7 | 152.2 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 170 | A | 27.9 | Very low | 37.7 | Very low | 112 Ų | 112 | 128.6 Ų | 128.6 | 93% | 0.926 | 79% | 0.793 | S | S | * | * | trans | 62.9 | 154.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 171 | G | 26.1 | Very low | 38.1 | Very low | 77 Ų | 77 | 128.1 Ų | 128.1 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | cis | -174.5 | 169.9 | -4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 172 | A | 34.7 | Very low | 38.2 | Very low | 99 Ų | 99 | 130.1 Ų | 130.1 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -87 | -174.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 173 | P | 50.1 | Low | 38.1 | Very low | 102 Ų | 102 | 127.9 Ų | 127.9 | 66% | 0.662 | 79% | 0.787 | S | S | * | * | cis | -128.5 | -166.3 | 7.8 | 19.5 | 10.5 | 0 | 0 | 0 | 113.4 | ||||
| 174 | H | 29.5 | Very low | 37.9 | Very low | 182 Ų | 182 | 124.9 Ų | 124.9 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | cis | -150.1 | 174.6 | 28.1 | -69.7 | -100 | 0 | 0 | 0 | 113.7 | ||||
| 175 | G | 34.6 | Very low | 37.8 | Very low | 72 Ų | 72 | 126.7 Ų | 126.7 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | trans | -88.3 | -166.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 176 | P | 53.7 | Low | 36.9 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | cis | -131.4 | 151.2 | 34.1 | 34 | -12.9 | 0 | 0 | 0 | 116.9 | ||||
| 177 | V | 37.8 | Very low | 38.4 | Very low | 129 Ų | 129 | 127.6 Ų | 127.6 | 78% | 0.782 | 79% | 0.789 | S | S | * | * | 76.4 | 110.1 | 89.8 | -172.8 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 178 | Y | 43.3 | Very low | 38.4 | Very low | 213 Ų | 213 | 131.2 Ų | 131.2 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | 22.3 | 157.6 | 145 | -72.4 | -65.7 | 0 | 0 | 0 | 124.1 | ||||
| 179 | P | 53.9 | Low | 38.5 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | cis | -133.9 | -171.3 | 28 | 40.7 | -20.8 | 0 | 0 | 0 | 118.2 | ||||
| 180 | A | 36.8 | Very low | 38.7 | Very low | 85 Ų | 85 | 131 Ų | 131 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | trans | -110.9 | -172.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 181 | P | 60.2 | Low | 39 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | -130.6 | -151.6 | 58.6 | 33.5 | -10.5 | 0 | 0 | 0 | 112.2 | |||||
| 182 | N | 31.4 | Very low | 39.3 | Very low | 161 Ų | 161 | 138.8 Ų | 138.8 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | cis | -158.6 | -179.2 | 7.2 | -157.9 | -0.2 | 0 | 0 | 0 | 112.2 | ||||
| 183 | G | 33.6 | Very low | 39.6 | Very low | 61 Ų | 61 | 139.4 Ų | 139.4 | 63% | 0.629 | 79% | 0.793 | S | S | * | * | trans | -116 | -171 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 184 | A | 36 | Very low | 39.5 | Very low | 97 Ų | 97 | 140.9 Ų | 140.9 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | cis | -158.1 | 165.3 | 1.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 185 | R | 31.1 | Very low | 39.6 | Very low | 243 Ų | 243 | 136.1 Ų | 136.1 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | -176.5 | 167 | 75.6 | -79.5 | -174.7 | 173.4 | -165.3 | -1 | 112.4 | |||||
| 186 | Y | 34.9 | Very low | 39.4 | Very low | 226 Ų | 226 | 136 Ų | 136 | 89% | 0.886 | 80% | 0.801 | S | S | * | * | trans | -97.8 | -171.8 | 167.5 | -71.1 | -79.8 | 0 | 0 | 0 | 111.7 | ||||
| 187 | P | 57.6 | Low | 38.5 | Very low | 104 Ų | 104 | 140.4 Ų | 140.4 | 68% | 0.675 | 81% | 0.808 | S | S | * | * | cis | -137.4 | 178.9 | -0.4 | 36.2 | -14.3 | 0 | 0 | 0 | 117.7 | ||||
| 188 | Y | 32.8 | Very low | 39 | Very low | 237 Ų | 237 | 140.5 Ų | 140.5 | 93% | 0.929 | 81% | 0.811 | S | S | * | * | trans | 35.7 | 156.1 | 149.4 | -83.4 | -109.3 | 0 | 0 | 0 | 122.5 | ||||
| 189 | G | 32.3 | Very low | 38.4 | Very low | 60 Ų | 60 | 135 Ų | 135 | 62% | 0.619 | 81% | 0.811 | S | S | * | * | cis | 155.6 | 110.8 | -7.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 190 | S | 35.1 | Very low | 37.5 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | 76.5 | 148.4 | 153.6 | -57.3 | 0 | 0 | 0 | 0 | 124 | ||||
| 191 | M | 33.2 | Very low | 37.3 | Very low | 179 Ų | 179 | 136.5 Ų | 136.5 | 88% | 0.882 | 82% | 0.819 | S | S | * | * | trans | 77.7 | 117.3 | 158.1 | -60.6 | -76 | -174.5 | 0 | 0 | 122 | ||||
| 192 | L | 33.9 | Very low | 35.9 | Very low | 174 Ų | 174 | 136.1 Ų | 136.1 | 91% | 0.911 | 82% | 0.817 | S | S | * | * | trans | -158.9 | 130.6 | 148.6 | -87.8 | -170.3 | 0 | 0 | 0 | 112.6 | ||||
| 193 | P | 40.4 | Very low | 36.6 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | trans | -144 | -172.9 | 137.7 | 41.3 | -28.2 | 0 | 0 | 0 | 111.7 | ||||
| 194 | P | 47.8 | Very low | 37.1 | Very low | 132 Ų | 132 | 137.8 Ų | 137.8 | 86% | 0.857 | 83% | 0.826 | S | S | * | * | cis | -113.7 | -171.5 | -38 | 38.4 | -24.7 | 0 | 0 | 0 | 111.1 | ||||
| 195 | G | 31.4 | Very low | 36.8 | Very low | 82 Ų | 82 | 137 Ų | 137 | 85% | 0.845 | 83% | 0.828 | S | S | * | * | trans | -156.1 | 158.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 196 | G | 29.9 | Very low | 36.7 | Very low | 69 Ų | 69 | 137.8 Ų | 137.8 | 71% | 0.711 | 83% | 0.831 | S | S | * | * | trans | -164.7 | 165.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 197 | F | 34.5 | Very low | 36.6 | Very low | 215 Ų | 215 | 131.6 Ų | 131.6 | 94% | 0.943 | 83% | 0.826 | S | S | * | * | trans | 61.4 | 127.9 | -179.3 | -59.9 | -75.6 | 0 | 0 | 0 | 118.1 | ||||
| 198 | P | 49 | Very low | 35.3 | Very low | 130 Ų | 130 | 135.3 Ų | 135.3 | 84% | 0.844 | 83% | 0.834 | S | S | * | * | trans | -112.3 | 149.3 | 159.2 | 36.9 | -27.9 | 0 | 0 | 0 | 112.8 | ||||
| 199 | A | 31.5 | Very low | 35.2 | Very low | 99 Ų | 99 | 134.2 Ų | 134.2 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | trans | -137.4 | 163.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 200 | A | 34.8 | Very low | 35.3 | Very low | 102 Ų | 102 | 134.5 Ų | 134.5 | 84% | 0.843 | 84% | 0.838 | S | S | * | * | trans | -67.7 | 150.5 | -160.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 201 | V | 31.8 | Very low | 35.8 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 85% | 0.848 | 84% | 0.839 | S | S | * | * | trans | -138.4 | 139.6 | 164.9 | 179.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 202 | C | 31.6 | Very low | 35.6 | Very low | 112 Ų | 112 | 130.6 Ų | 130.6 | 76% | 0.757 | 84% | 0.838 | S | S | * | * | trans | -92.6 | 150.9 | 177.6 | -61.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 203 | P | 44.8 | Very low | 35.4 | Very low | 126 Ų | 126 | 126 Ų | 126 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | trans | -88.9 | 143 | -177.5 | 34.5 | -34.6 | 0 | 0 | 0 | 113.7 | ||||
| 204 | P | 45.5 | Very low | 35.1 | Very low | 132 Ų | 132 | 126.1 Ų | 126.1 | 86% | 0.857 | 84% | 0.843 | S | S | * | * | trans | -105 | 153.2 | 161.4 | 36.6 | -29.9 | 0 | 0 | 0 | 112.4 | ||||
| 205 | G | 29.3 | Very low | 34.3 | Very low | 81 Ų | 81 | 123.8 Ų | 123.8 | 84% | 0.835 | 84% | 0.843 | S | S | * | * | trans | 130.1 | 103.7 | 156.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 206 | R | 28.8 | Very low | 34.5 | Very low | 259 Ų | 259 | 126.2 Ų | 126.2 | 98% | 0.977 | 85% | 0.847 | S | S | * | * | trans | -144.7 | 149.7 | 145.9 | -165.5 | 162.1 | -179.9 | 153.9 | 0.7 | 109.6 | ||||
| 207 | A | 32.2 | Very low | 34.6 | Very low | 95 Ų | 95 | 126.9 Ų | 126.9 | 79% | 0.785 | 85% | 0.853 | S | S | * | * | trans | -80.6 | 159.7 | -159.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 208 | Q | 30.3 | Very low | 34.6 | Very low | 183 Ų | 183 | 122.1 Ų | 122.1 | 86% | 0.855 | 85% | 0.854 | S | S | * | * | trans | -79.1 | 147.6 | 165.2 | -68.3 | 176.2 | -26 | 0 | 0 | 111.8 | ||||
| 209 | F | 32.3 | Very low | 33.9 | Very low | 214 Ų | 214 | 119.8 Ų | 119.8 | 94% | 0.939 | 85% | 0.854 | S | S | * | * | trans | -143.9 | 140.1 | 139.8 | -101.8 | -84.2 | 0 | 0 | 0 | 107.7 | ||||
| 210 | G | 32.8 | Very low | 34 | Very low | 66 Ų | 66 | 119.2 Ų | 119.2 | 68% | 0.68 | 86% | 0.857 | S | S | * | * | trans | -77 | 175.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 211 | P | 45.3 | Very low | 34 | Very low | 136 Ų | 136 | 119.7 Ų | 119.7 | 88% | 0.883 | 86% | 0.855 | S | S | * | * | -131.7 | 171.9 | 72.3 | 38.8 | -28.2 | 0 | 0 | 0 | 115.1 | |||||
| 212 | G | 30.3 | Very low | 34.2 | Very low | 83 Ų | 83 | 119 Ų | 119 | 86% | 0.856 | 86% | 0.856 | S | S | * | * | trans | -85.3 | -170.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 213 | G | 29.6 | Very low | 34.4 | Very low | 76 Ų | 76 | 117.6 Ų | 117.6 | 78% | 0.784 | 86% | 0.86 | S | S | * | * | trans | -156.7 | -177.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 214 | A | 34.6 | Very low | 33.9 | Very low | 116 Ų | 116 | 115.7 Ų | 115.7 | 96% | 0.959 | 86% | 0.863 | S | S | * | * | trans | 75.8 | 102.4 | -174 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 215 | G | 30.7 | Very low | 33.3 | Very low | 83 Ų | 83 | 113.6 Ų | 113.6 | 86% | 0.856 | 87% | 0.866 | S | S | * | * | trans | -132.4 | 134.4 | 155.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 216 | S | 34.5 | Very low | 33.4 | Very low | 133 Ų | 133 | 113.7 Ų | 113.7 | 93% | 0.93 | 87% | 0.867 | S | S | * | * | trans | -85.5 | 152.5 | -171 | 46.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 217 | G | 33.3 | Very low | 33.6 | Very low | 83 Ų | 83 | 105 Ų | 105 | 86% | 0.856 | 86% | 0.858 | S | S | * | * | trans | -164.8 | 141 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 218 | A | 33 | Very low | 34.4 | Very low | 115 Ų | 115 | 107 Ų | 107 | 95% | 0.95 | 86% | 0.863 | S | S | * | * | trans | -126.6 | 159.2 | -171 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 219 | G | 34 | Very low | 34.6 | Very low | 82 Ų | 82 | 101.5 Ų | 101.5 | 85% | 0.845 | 86% | 0.855 | S | S | * | * | trans | 137.3 | 158.2 | 160.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 220 | G | 33.8 | Very low | 34.5 | Very low | 86 Ų | 86 | 96.6 Ų | 96.6 | 89% | 0.887 | 84% | 0.843 | S | S | * | * | trans | 107.6 | 111.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 221 | S | 35 | Very low | 34.5 | Very low | 113 Ų | 113 | 103.1 Ų | 103.1 | 79% | 0.79 | 85% | 0.848 | S | S | * | * | trans | -96 | 160.9 | 174.2 | -65.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 222 | S | 37.4 | Very low | 33.7 | Very low | 126 Ų | 126 | 104.1 Ų | 104.1 | 88% | 0.881 | 84% | 0.842 | S | S | * | * | trans | 73.9 | 158 | 144.6 | 75.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 223 | G | 34.4 | Very low | 33.6 | Very low | 82 Ų | 82 | 110.1 Ų | 110.1 | 85% | 0.845 | 84% | 0.84 | S | S | * | * | trans | 101.1 | 85.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 224 | G | 34.3 | Very low | 33.6 | Very low | 85 Ų | 85 | 110.5 Ų | 110.5 | 88% | 0.876 | 83% | 0.83 | S | S | * | * | trans | -94.6 | 174.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 225 | G | 32.5 | Very low | 33.4 | Very low | 88 Ų | 88 | 114.5 Ų | 114.5 | 91% | 0.907 | 83% | 0.829 | S | S | * | * | trans | 109.2 | 115.8 | 159.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 226 | G | 33.3 | Very low | 33.4 | Very low | 84 Ų | 84 | 114 Ų | 114 | 87% | 0.866 | 82% | 0.824 | S | S | * | * | trans | 116.5 | 121.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 227 | G | 31.8 | Very low | 33.4 | Very low | 77 Ų | 77 | 112.4 Ų | 112.4 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | trans | -104.2 | -156.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 228 | P | 49.8 | Very low | 33.7 | Very low | 137 Ų | 137 | 114.5 Ų | 114.5 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | cis | -119.9 | 171.7 | 0.1 | 40.6 | -28.3 | 0 | 0 | 0 | 113.7 | ||||
| 229 | G | 33.5 | Very low | 33.6 | Very low | 67 Ų | 67 | 117.2 Ų | 117.2 | 69% | 0.691 | 82% | 0.815 | S | S | * | * | trans | 176.4 | 73.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 230 | T | 31.3 | Very low | 33.3 | Very low | 111 Ų | 111 | 125.2 Ų | 125.2 | 68% | 0.681 | 82% | 0.821 | S | S | * | * | trans | 30.6 | 137.9 | 143.8 | 59.9 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 231 | Y | 31.6 | Very low | 33.1 | Very low | 202 Ų | 202 | 124.4 Ų | 124.4 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | trans | 75.4 | 153.1 | 163 | -46.4 | -69.3 | 0 | 0 | 0 | 118 | ||||
| 232 | Q | 28.6 | Very low | 33.7 | Very low | 158 Ų | 158 | 125 Ų | 125 | 74% | 0.738 | 81% | 0.814 | S | S | * | * | cis | -165.6 | 157.4 | -37.1 | -172.6 | 165 | -22 | 0 | 0 | 108.8 | ||||
| 233 | Y | 29 | Very low | 33.6 | Very low | 209 Ų | 209 | 129.6 Ų | 129.6 | 82% | 0.82 | 81% | 0.814 | S | S | * | * | trans | 67.1 | 87.6 | 164.1 | -127.9 | -115.4 | 0 | 0 | 0 | 116.4 | ||||
| 234 | S | 29.7 | Very low | 34.1 | Very low | 83 Ų | 83 | 131.3 Ų | 131.3 | 58% | 0.58 | 81% | 0.81 | S | S | * | * | 80.9 | 109 | 78.7 | 74.5 | 0 | 0 | 0 | 0 | 116 | |||||
| 235 | Q | 30.3 | Very low | 33.9 | Very low | 200 Ų | 200 | 130.9 Ų | 130.9 | 94% | 0.935 | 81% | 0.806 | S | S | * | * | trans | -73.3 | 158.9 | 158.4 | -76.5 | -79.3 | 3.9 | 0 | 0 | 110.7 | ||||
| 236 | G | 29.3 | Very low | 34.4 | Very low | 72 Ų | 72 | 131.9 Ų | 131.9 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | -153.2 | 120.5 | 175 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 237 | A | 35 | Very low | 34.3 | Very low | 100 Ų | 100 | 132.7 Ų | 132.7 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | trans | -176.6 | 160.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 238 | P | 40.2 | Very low | 34.5 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | cis | -121.4 | 172.9 | -37.8 | 36.8 | -23.2 | 0 | 0 | 0 | 111.5 | ||||
| 239 | L | 30.3 | Very low | 33.9 | Very low | 173 Ų | 173 | 132.2 Ų | 132.2 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | -101.5 | 126.9 | -176.8 | -72.5 | 169.5 | 0 | 0 | 0 | 113.7 | ||||
| 240 | Y | 29.1 | Very low | 33.8 | Very low | 249 Ų | 249 | 133 Ų | 133 | 98% | 0.976 | 81% | 0.812 | S | S | * | * | trans | -157.6 | 116.7 | 152.9 | -133.4 | -90 | 0 | 0 | 0 | 109.3 | ||||
| 241 | G | 29.6 | Very low | 34 | Very low | 70 Ų | 70 | 133.6 Ų | 133.6 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | trans | 174.2 | 160.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 242 | P | 46.8 | Very low | 34.3 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 81% | 0.805 | 82% | 0.822 | S | S | * | * | trans | -114.1 | -174.5 | -164.4 | 42.5 | -33.2 | 0 | 0 | 0 | 115.5 | ||||
| 243 | Y | 36.1 | Very low | 34.6 | Very low | 224 Ų | 224 | 126.1 Ų | 126.1 | 88% | 0.878 | 83% | 0.827 | S | S | * | * | trans | -44.3 | 136.7 | 171.5 | -83.7 | -88.5 | 0 | 0 | 0 | 114.5 | ||||
| 244 | P | 43.9 | Very low | 35 | Very low | 117 Ų | 117 | 119.7 Ų | 119.7 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | -116 | -176.2 | 105.2 | -7.4 | 27.8 | 0 | 0 | 0 | 111.9 | |||||
| 245 | G | 30.4 | Very low | 35.4 | Very low | 76 Ų | 76 | 124.3 Ų | 124.3 | 78% | 0.784 | 84% | 0.842 | S | S | * | * | cis | 118.9 | 124 | 10.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 246 | A | 41.8 | Very low | 35.9 | Very low | 110 Ų | 110 | 117.9 Ų | 117.9 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | trans | -98.7 | 149.1 | -161.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 247 | A | 33.3 | Very low | 36.2 | Very low | 100 Ų | 100 | 118.2 Ų | 118.2 | 83% | 0.826 | 83% | 0.833 | S | S | * | * | trans | -157.4 | 155.9 | 163 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 248 | A | 34.4 | Very low | 36.6 | Very low | 97 Ų | 97 | 121.6 Ų | 121.6 | 80% | 0.802 | 84% | 0.836 | S | S | * | * | trans | 14.6 | 117.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 249 | A | 38.4 | Very low | 36.4 | Very low | 108 Ų | 108 | 118.8 Ų | 118.8 | 89% | 0.893 | 83% | 0.83 | S | S | * | * | 85.3 | 129.4 | 54.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 250 | G | 30.4 | Very low | 36.7 | Very low | 83 Ų | 83 | 115.5 Ų | 115.5 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | trans | 109.7 | 80.8 | 161.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 251 | S | 36 | Very low | 37.2 | Very low | 123 Ų | 123 | 110.1 Ų | 110.1 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | -168.9 | 144.4 | 123.6 | -166.2 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 252 | C | 38.1 | Very low | 37.7 | Very low | 121 Ų | 121 | 110 Ų | 110 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -89.7 | 174.6 | 162.2 | 56.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 253 | G | 34.8 | Very low | 37.5 | Very low | 82 Ų | 82 | 108 Ų | 108 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | 102.2 | 106.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 254 | G | 37.3 | Very low | 38.7 | Very low | 75 Ų | 75 | 102 Ų | 102 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -103.8 | 171.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 255 | L | 38.4 | Very low | 39.9 | Very low | 179 Ų | 179 | 101.4 Ų | 101.4 | 94% | 0.937 | 78% | 0.777 | S | S | * | * | trans | -164.8 | 139.3 | 155.1 | -108.4 | 171.8 | 0 | 0 | 0 | 110.6 | G257 | L255-G257 PolarHBondContact O-N 3.13Š| ||
| 256 | G | 39.3 | Very low | 42.5 | Very low | 65 Ų | 65 | 106.5 Ų | 106.5 | 67% | 0.67 | 77% | 0.772 | S | S | * | * | trans | 60.9 | 37.4 | 144.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | L258 | G256-L258 PolarHBondContact O-N 3.32Š| ||
| 257 | G | 37.6 | Very low | 45 | Very low | 80 Ų | 80 | 101.4 Ų | 101.4 | 83% | 0.825 | 73% | 0.73 | S | S | * | * | trans | -63.8 | 100.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | L255 G259 | L255-G257 PolarHBondContact O-N 3.13Å; G257-G259 VanDerWaalsContact C-N 3.33Å; G257-G259 PolarHBondContact O-N 3.26Å | ||
| 258 | L | 42.3 | Very low | 47.9 | Very low | 171 Ų | 171 | 101.5 Ų | 101.5 | 90% | 0.895 | 71% | 0.713 | S | S | * | * | trans | -68.1 | 84.8 | -176.4 | -74.4 | 170.6 | 0 | 0 | 0 | 111.6 | G256 V260 | G256-L258 PolarHBondContact O-N 3.32Å; L258-V260 PolarHBondContact O-N 2.76Å; L258-V260 VanDerWaalsContact O-N 3.12Å | ||
| 259 | G | 36.5 | Very low | 51 | Low | 67 Ų | 67 | 97.7 Ų | 97.7 | 69% | 0.691 | 68% | 0.68 | S | S | * | * | trans | -62 | 109.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | G257 P261 | G257-G259 VanDerWaalsContact C-N 3.33Å; G257-G259 PolarHBondContact O-N 3.26Å; G259-P261 WeakPolarHBondContact O-CD 3.32Å | ||
| 260 | V | 35.8 | Very low | 53.8 | Low | 104 Ų | 104 | 98.8 Ų | 98.8 | 63% | 0.63 | 66% | 0.662 | S | S | * | * | trans | -62.2 | 119.6 | 174.4 | 176.2 | 0 | 0 | 0 | 0 | 108.2 | L258 G262 S263 | L258-V260 PolarHBondContact O-N 2.76Å; L258-V260 VanDerWaalsContact O-N 3.12Å; V260-G262 VanDerWaalsContact C-N 3.26Å; V260-G262 PolarHBondContact O-N 2.88Å; V260-S263 PolarHBondContact O-N 3.37Å | ||
| 261 | P | 39.4 | Very low | 57 | Low | 137 Ų | 137 | 95.5 Ų | 95.5 | 89% | 0.89 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 85.2 | 178.8 | 29.6 | -34 | 0 | 0 | 0 | 109.3 | G259 | G259-P261 WeakPolarHBondContact O-CD 3.32Š|
| 262 | G | 40.3 | Very low | 60 | Low | 68 Ų | 68 | 90.7 Ų | 90.7 | 70% | 0.701 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 158 | -12 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | V260 S264 | V260-G262 VanDerWaalsContact C-N 3.26Å; V260-G262 PolarHBondContact O-N 2.88Å; G262-S264 VanDerWaalsContact C-N 3.32Å; G262-S264 PolarHBondContact O-N 3.47Å |
| 263 | S | 43.9 | Very low | 62.7 | Low | 80 Ų | 80 | 89.4 Ų | 89.4 | 56% | 0.559 | 58% | 0.576 | S | S | * | * | trans | -75.8 | 82 | 173.4 | 63.3 | 0 | 0 | 0 | 0 | 111.4 | V260 F265 | V260-S263 PolarHBondContact O-N 3.37Å; S263-F265 PolarHBondContact O-N 2.94Å | ||
| 264 | S | 59.9 | Low | 65.7 | Low | 98 Ų | 98 | 90.4 Ų | 90.4 | 69% | 0.685 | 55% | 0.554 | S | S | * | * | trans | -54.8 | 134.6 | 170 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | G262 R266 | G262-S264 VanDerWaalsContact C-N 3.32Å; G262-S264 PolarHBondContact O-N 3.47Å; S264-R266 VanDerWaalsContact C-N 3.32Å; S264-R266 PolarHBondContact O-N 3.26Å | ||
| 265 | F | 69.8 | Low | 68.7 | Low | 106 Ų | 106 | 91.5 Ų | 91.5 | 47% | 0.465 | 55% | 0.548 | S | S | . | . | trans | -70.7 | 85.5 | -179.2 | -72.9 | -79.7 | 0 | 0 | 0 | 110.5 | S263 A267 G306 N308 Q420 | S263-F265 PolarHBondContact O-N 2.94Å; F265-A267 PolarHBondContact O-N 2.78Å; F265-G306 CarbonylContact C-O 3.57Å; F265-N308 HydrophobicContact CD2-CB 3.85Å; F265-N308 HydrophobicContact CE2-CB 4.19Å; F265-N308 HydrophobicContact CG-CB 4.1Å; F265-Q420 PolarHBondContact O-NE2 3.37Å | ||
| 266 | R | 85.1 | Confident | 71.5 | Confident | 183 Ų | 183 | 84.5 Ų | 84.5 | 69% | 0.691 | 51% | 0.511 | S | S | * | . | trans | -75 | 117 | -179.4 | -167.3 | 178.2 | -173.7 | 179.3 | 3.3 | 110.7 | S264 H268 | S264-R266 VanDerWaalsContact C-N 3.32Å; S264-R266 PolarHBondContact O-N 3.26Å; R266-H268 PolarHBondContact O-CE1 2.96Å; R266-H268 PolarHBondContact O-ND1 2.55Å | ||
| 267 | A | 93.3 | Very high | 74.3 | Confident | 3 Ų | 3 | 81.4 Ų | 81.4 | 3% | 0.025 | 48% | 0.479 | C | S | . | . | trans | -66.4 | 140.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | F265 I304 N305 L307 I402 F422 | F265-A267 PolarHBondContact O-N 2.78Å; A267-I304 HydrophobicContact CB-CG2 4.45Å; A267-N305 CarbonylContact C-O 3.5Å; A267-N305 WeakPolarHBondContact CA-O 3.07Å; A267-L307 HydrophobicContact CB-CD2 3.66Å; A267-L307 HydrophobicContact CB-CG 4.38Å; A267-I402 HydrophobicContact CB-CD1 3.94Å; A267-F422 HydrophobicContact CB-CE2 4.17Å; A267-F422 HydrophobicContact CB-CZ 3.81Å; A267-F422 VanDerWaalsContact O-CE1 3.28Å; A267-F422 WeakPolarHBondContact O-CE1 3.34Å; A267-F422 VanDerWaalsContact O-CZ 3.25Å; A267-F422 WeakPolarHBondContact O-CZ 3.35Å | ||
| 268 | H | 95.8 | Very high | 77.2 | Confident | 101 Ų | 101 | 81.6 Ų | 81.6 | 47% | 0.468 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 117 | 173.6 | -67.6 | 70.8 | 0 | 0 | 0 | 107.5 | R266 Y270 I304 N305 | R266-H268 PolarHBondContact O-CE1 2.96Å; R266-H268 PolarHBondContact O-ND1 2.55Å; H268-Y270 HydrophobicContact CB-CE2 4.2Å; H268-I304 WeakPolarHBondContact O-CA 3.41Å; H268-N305 HydrophobicContact CB-CB 4.47Å; H268-N305 PolarHBondContact N-O 3.14Å; H268-N305 PolarHBondContact O-N 3.08Å |
| 269 | V | 97.8 | Very high | 79.9 | Confident | 17 Ų | 17 | 78.5 Ų | 78.5 | 10% | 0.103 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 129 | -172.7 | -176.2 | 0 | 0 | 0 | 0 | 110.2 | F302 N303 I304 L400 I402 F422 F424 | V269-F302 HydrophobicContact CG1-CB 3.99Å; V269-F302 HydrophobicContact CG1-CD1 3.92Å; V269-F302 HydrophobicContact CG1-CG 4.19Å; V269-N303 WeakPolarHBondContact CA-O 3.25Å; V269-I304 HydrophobicContact CG2-CG1 4.27Å; V269-L400 HydrophobicContact CG1-CD2 3.67Å; V269-L400 HydrophobicContact CG2-CD2 4.32Å; V269-I402 HydrophobicContact CG2-CD1 3.92Å; V269-F422 HydrophobicContact CB-CB 4.36Å; V269-F422 HydrophobicContact CB-CD1 3.88Å; V269-F422 HydrophobicContact CB-CD2 4.37Å; V269-F422 HydrophobicContact CB-CE1 4.33Å; V269-F422 HydrophobicContact CB-CG 3.92Å; V269-F422 HydrophobicContact CG2-CB 4.46Å; V269-F422 HydrophobicContact CG2-CD1 3.74Å; V269-F422 HydrophobicContact CG2-CD2 3.59Å; V269-F422 HydrophobicContact CG2-CE1 3.84Å; V269-F422 HydrophobicContact CG2-CE2 3.71Å; V269-F422 HydrophobicContact CG2-CG 3.63Å; V269-F422 HydrophobicContact CG2-CZ 3.85Å; V269-F424 HydrophobicContact CB-CZ 4.41Å; V269-F424 HydrophobicContact CG1-CE2 4.12Å; V269-F424 HydrophobicContact CG1-CZ 4.01Å |
| 270 | Y | 97.9 | Very high | 82.8 | Confident | 131 Ų | 131 | 75.3 Ų | 75.3 | 51% | 0.514 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 128.4 | 178.1 | -56.3 | -88.1 | 0 | 0 | 0 | 109.9 | H268 C272 F302 N303 | H268-Y270 HydrophobicContact CB-CE2 4.2Å; Y270-C272 PolarHBondContact O-N 3.14Å; Y270-F302 VanDerWaalsContact O-CA 3.27Å; Y270-F302 WeakPolarHBondContact O-CA 3.27Å; Y270-N303 PolarHBondContact N-O 2.82Å; Y270-N303 PolarHBondContact O-N 3.38Å |
| 271 | L | 98.3 | Very high | 85.8 | Confident | 14 Ų | 14 | 73.5 Ų | 73.5 | 7% | 0.073 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 115.1 | 173.1 | 178.3 | 70.1 | 0 | 0 | 0 | 110.1 | W277 F302 F424 E426 T427 | L271-W277 HydrophobicContact CD2-CB 4.15Å; L271-W277 HydrophobicContact CD2-CG 3.94Å; L271-F302 HydrophobicContact CD1-CD1 4.04Å; L271-F302 HydrophobicContact CD1-CE1 3.66Å; L271-F302 HydrophobicContact CD1-CZ 4.41Å; L271-F424 HydrophobicContact CB-CD1 3.81Å; L271-F424 HydrophobicContact CB-CE1 3.81Å; L271-F424 HydrophobicContact CB-CG 4.22Å; L271-F424 HydrophobicContact CB-CZ 4.2Å; L271-F424 HydrophobicContact CD2-CB 4.42Å; L271-F424 HydrophobicContact CD2-CD1 4.48Å; L271-F424 HydrophobicContact CD2-CG 4.49Å; L271-E426 HydrophobicContact CD2-CG 3.93Å; L271-E426 WeakPolarHBondContact CD2-OE1 3.48Å; L271-T427 HydrophobicContact CD1-CG2 3.93Å; L271-T427 HydrophobicContact CD2-CG2 3.51Å; L271-T427 HydrophobicContact CG-CG2 4.4Å |
| 272 | C | 98 | Very high | 88.6 | Confident | 22 Ų | 22 | 77.1 Ų | 77.1 | 15% | 0.149 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 152.7 | 174.2 | -65.7 | 0 | 0 | 0 | 0 | 110.9 | Y270 R274 S301 E366 | Y270-C272 PolarHBondContact O-N 3.14Å; C272-R274 PolarHBondContact O-N 2.6Å; C272-R274 VanDerWaalsContact O-N 3.17Å; C272-S301 PolarHBondContact N-O 3.31Å; C272-E366 HydrophobicContact CB-CG 4.17Å; C272-E366 WeakPolarHBondContact CB-OE1 3.43Å; C272-E366 WeakPolarHBondContact CB-OE2 3.41Å; C272-E366 PolarHBondContact SG-OE2 3.33Å |
| 273 | N | 96.3 | Very high | 91.3 | Very high | 94 Ų | 94 | 76.8 Ų | 76.8 | 50% | 0.503 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 26.5 | -172.6 | -62.9 | -61.2 | 0 | 0 | 0 | 114.7 | P275 L276 W277 | N273-P275 VanDerWaalsContact C-N 3.3Å; N273-P275 VanDerWaalsContact O-N 3.13Å; N273-L276 HydrophobicContact CB-CB 4.47Å; N273-L276 WeakPolarHBondContact O-CB 3.31Å; N273-L276 PolarHBondContact O-N 2.99Å; N273-W277 PolarHBondContact O-N 3.02Å |
| 274 | R | 97.8 | Very high | 93.9 | Very high | 103 Ų | 103 | 76.9 Ų | 76.9 | 39% | 0.389 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -44.2 | -41.8 | 176.5 | -173.9 | -176.5 | -172.5 | 72.2 | 21 | 114.6 | C272 L276 W277 L278 E426 | C272-R274 PolarHBondContact O-N 2.6Å; C272-R274 VanDerWaalsContact O-N 3.17Å; R274-L276 VanDerWaalsContact C-N 3.3Å; R274-L276 PolarHBondContact O-N 2.82Å; R274-W277 PolarHBondContact O-N 3.18Å; R274-L278 HydrophobicContact CG-CD1 4.09Å; R274-L278 HydrophobicContact CG-CG 4.44Å; R274-L278 WeakPolarHBondContact O-CG 3.35Å; R274-L278 PolarHBondContact O-N 3.21Å; R274-E426 VanDerWaalsContact CZ-CD 3.48Å; R274-E426 IonicContact CZ-OE1 3.44Å; R274-E426 VanDerWaalsContact CZ-OE1 3.3Å; R274-E426 IonicContact CZ-OE2 3.03Å; R274-E426 VanDerWaalsContact NH1-CD 3.25Å; R274-E426 IonicContact NH1-OE1 3.45Å; R274-E426 PolarHBondContact NH1-OE1 2.48Å; R274-E426 IonicContact NH1-OE2 3.43Å; R274-E426 PolarHBondContact NH1-OE2 2.64Å; R274-E426 IonicContact NH2-OE1 2.73Å; R274-E426 PolarHBondContact NH2-OE1 3.36Å; R274-E426 IonicContact NH2-OE2 3.3Å; R274-E426 PolarHBondContact NH2-OE2 3.06Å |
| 275 | P | 98.3 | Very high | 95.7 | Very high | 98 Ų | 98 | 72.3 Ų | 72.3 | 64% | 0.636 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.4 | -34.2 | 177.5 | -24.3 | 36 | 0 | 0 | 0 | 113.7 | N273 L278 K279 | N273-P275 VanDerWaalsContact C-N 3.3Å; N273-P275 VanDerWaalsContact O-N 3.13Å; P275-L278 PolarHBondContact O-N 3.02Å; P275-K279 PolarHBondContact O-N 2.77Å; P275-K279 VanDerWaalsContact O-N 3.11Å |
| 276 | L | 98.3 | Very high | 97.1 | Very high | 33 Ų | 33 | 67.2 Ų | 67.2 | 17% | 0.173 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71.5 | -41.6 | 175.8 | -177.7 | 59.7 | 0 | 0 | 0 | 111.2 | N273 R274 L278 K279 F280 F297 P298 H447 | N273-L276 HydrophobicContact CB-CB 4.47Å; N273-L276 WeakPolarHBondContact O-CB 3.31Å; N273-L276 PolarHBondContact O-N 2.99Å; R274-L276 VanDerWaalsContact C-N 3.3Å; R274-L276 PolarHBondContact O-N 2.82Å; L276-L278 VanDerWaalsContact C-N 3.3Å; L276-L278 PolarHBondContact O-N 2.97Å; L276-K279 HydrophobicContact CD1-CD 4.35Å; L276-K279 WeakPolarHBondContact O-CB 3.19Å; L276-K279 PolarHBondContact O-N 3.03Å; L276-F280 HydrophobicContact CD1-CD2 4.1Å; L276-F280 HydrophobicContact CD1-CE2 3.77Å; L276-F280 HydrophobicContact CG-CD2 4.19Å; L276-F280 HydrophobicContact CG-CE2 4.06Å; L276-F280 WeakPolarHBondContact O-CD2 3.4Å; L276-F280 PolarHBondContact O-N 3.24Å; L276-F280 VanDerWaalsContact O-N 3.16Å; L276-F297 HydrophobicContact CD2-CZ 4.34Å; L276-P298 HydrophobicContact CD2-CB 4.32Å; L276-P298 HydrophobicContact CD2-CG 3.96Å; L276-P298 HydrophobicContact CG-CG 3.89Å; L276-H447 HydrophobicContact CD1-CB 3.96Å; L276-H447 WeakPolarHBondContact CD1-CD2 3.5Å; L276-H447 HydrophobicContact CD2-CB 4.41Å |
| 277 | W | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.8 | -43 | 171.9 | -81.1 | 104.7 | 0 | 0 | 0 | 111.8 | L271 N273 R274 K279 F280 H281 T285 M287 P298 L300 E426 T427 | L271-W277 HydrophobicContact CD2-CB 4.15Å; L271-W277 HydrophobicContact CD2-CG 3.94Å; N273-W277 PolarHBondContact O-N 3.02Å; R274-W277 PolarHBondContact O-N 3.18Å; W277-K279 PolarHBondContact O-N 3.16Å; W277-F280 PolarHBondContact O-N 2.93Å; W277-H281 WeakPolarHBondContact O-CB 3.39Å; W277-H281 PolarHBondContact O-N 2.92Å; W277-T285 HydrophobicContact CZ3-CG2 4.4Å; W277-M287 HydrophobicContact CH2-CE 3.62Å; W277-M287 HydrophobicContact CZ3-CE 3.87Å; W277-P298 HydrophobicContact CD2-CB 4.25Å; W277-P298 HydrophobicContact CD2-CG 4.35Å; W277-P298 WeakPolarHBondContact CH2-O 3.36Å; W277-P298 HydrophobicContact CZ2-CB 3.91Å; W277-P298 VanDerWaalsContact CZ2-O 3.31Å; W277-P298 WeakPolarHBondContact CZ2-O 3.37Å; W277-L300 HydrophobicContact CH2-CD2 3.93Å; W277-L300 HydrophobicContact CH2-CG 4.49Å; W277-L300 HydrophobicContact CZ2-CD2 3.61Å; W277-L300 HydrophobicContact CZ2-CG 4.18Å; W277-E426 HydrophobicContact CB-CG 4.08Å; W277-T427 HydrophobicContact CD2-CG2 3.89Å; W277-T427 HydrophobicContact CE3-CG2 3.97Å; W277-T427 HydrophobicContact CG-CG2 4.34Å; W277-T427 HydrophobicContact CH2-CG2 4.45Å; W277-T427 HydrophobicContact CZ2-CG2 4.4Å; W277-T427 HydrophobicContact CZ3-CG2 4.25Å |
| 278 | L | 98.5 | Very high | 98 | Very high | 83 Ų | 83 | 59.8 Ų | 59.8 | 44% | 0.435 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64 | -36.2 | 175.9 | -70.8 | 167.7 | 0 | 0 | 0 | 113.3 | R274 P275 L276 H281 R282 E426 | R274-L278 HydrophobicContact CG-CD1 4.09Å; R274-L278 HydrophobicContact CG-CG 4.44Å; R274-L278 WeakPolarHBondContact O-CG 3.35Å; R274-L278 PolarHBondContact O-N 3.21Å; P275-L278 PolarHBondContact O-N 3.02Å; L276-L278 VanDerWaalsContact C-N 3.3Å; L276-L278 PolarHBondContact O-N 2.97Å; L278-H281 PolarHBondContact O-N 2.77Å; L278-R282 PolarHBondContact O-N 2.64Å; L278-R282 VanDerWaalsContact O-N 3.16Å; L278-E426 HydrophobicContact CD2-CB 3.76Å; L278-E426 HydrophobicContact CD2-CG 4.24Å; L278-E426 HydrophobicContact CG-CB 4.38Å; L278-E426 HydrophobicContact CG-CG 4.47Å |
| 279 | K | 98.3 | Very high | 98.1 | Very high | 106 Ų | 106 | 55 Ų | 55 | 46% | 0.461 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.2 | -51.4 | 171 | -70.4 | -172.4 | -174.6 | -173.5 | 0 | 111.1 | P275 L276 W277 H283 L443 H447 | P275-K279 PolarHBondContact O-N 2.77Å; P275-K279 VanDerWaalsContact O-N 3.11Å; L276-K279 HydrophobicContact CD1-CD 4.35Å; L276-K279 WeakPolarHBondContact O-CB 3.19Å; L276-K279 PolarHBondContact O-N 3.03Å; W277-K279 PolarHBondContact O-N 3.16Å; K279-H283 PolarHBondContact O-CD2 2.79Å; K279-L443 HydrophobicContact CD-CD2 4.49Å; K279-H447 PolarHBondContact NZ-NE2 3.43Å |
| 280 | F | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65 | -41.7 | 179.5 | -81.2 | -73.6 | 0 | 0 | 0 | 112.5 | L276 W277 R282 H283 Q284 T285 F297 P298 I440 L443 K444 | L276-F280 HydrophobicContact CD1-CD2 4.1Å; L276-F280 HydrophobicContact CD1-CE2 3.77Å; L276-F280 HydrophobicContact CG-CD2 4.19Å; L276-F280 HydrophobicContact CG-CE2 4.06Å; L276-F280 WeakPolarHBondContact O-CD2 3.4Å; L276-F280 PolarHBondContact O-N 3.24Å; L276-F280 VanDerWaalsContact O-N 3.16Å; W277-F280 PolarHBondContact O-N 2.93Å; F280-R282 VanDerWaalsContact C-N 3.28Å; F280-R282 PolarHBondContact O-N 3.21Å; F280-H283 PolarHBondContact O-N 3.17Å; F280-H283 VanDerWaalsContact O-N 3.12Å; F280-Q284 PolarHBondContact O-N 3.36Å; F280-T285 VanDerWaalsContact C-OG1 3.25Å; F280-T285 HydrophobicContact CB-CG2 4.06Å; F280-T285 PolarHBondContact O-N 2.91Å; F280-T285 VanDerWaalsContact O-N 3.16Å; F280-T285 PolarHBondContact O-OG1 3.11Å; F280-F297 HydrophobicContact CE2-CD1 4.35Å; F280-F297 AromaticContact CE2-CE1 3.9Å; F280-F297 HydrophobicContact CE2-CE1 3.9Å; F280-F297 HydrophobicContact CZ-CD1 4.11Å; F280-F297 AromaticContact CZ-CE1 3.85Å; F280-F297 HydrophobicContact CZ-CE1 3.85Å; F280-P298 VanDerWaalsContact CD2-CD 3.47Å; F280-P298 HydrophobicContact CD2-CG 3.45Å; F280-P298 VanDerWaalsContact CD2-CG 3.45Å; F280-P298 HydrophobicContact CE2-CG 3.58Å; F280-P298 HydrophobicContact CG-CG 4.44Å; F280-I440 HydrophobicContact CD1-CD1 3.9Å; F280-I440 HydrophobicContact CD1-CG2 4.44Å; F280-I440 HydrophobicContact CE1-CG2 4.44Å; F280-L443 HydrophobicContact CD1-CB 4.08Å; F280-L443 HydrophobicContact CD1-CD1 4.3Å; F280-L443 HydrophobicContact CE1-CB 3.41Å; F280-L443 VanDerWaalsContact CE1-CB 3.41Å; F280-L443 HydrophobicContact CE1-CD1 4.46Å; F280-L443 VanDerWaalsContact CZ-C 3.5Å; F280-L443 HydrophobicContact CZ-CB 3.69Å; F280-L443 WeakPolarHBondContact CZ-O 3.46Å; F280-K444 HydrophobicContact CE1-CD 3.58Å; F280-K444 HydrophobicContact CE1-CG 4.2Å; F280-K444 HydrophobicContact CZ-CD 3.83Å |
| 281 | H | 98.3 | Very high | 97.8 | Very high | 67 Ų | 67 | 58.1 Ų | 58.1 | 31% | 0.31 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.2 | -38.2 | -178.9 | -169.3 | 77.4 | 0 | 0 | 0 | 112.4 | W277 L278 H283 Q284 T285 S425 E426 | W277-H281 WeakPolarHBondContact O-CB 3.39Å; W277-H281 PolarHBondContact O-N 2.92Å; L278-H281 PolarHBondContact O-N 2.77Å; H281-H283 PolarHBondContact O-N 2.89Å; H281-Q284 PolarHBondContact O-N 2.94Å; H281-T285 WeakPolarHBondContact CA-OG1 3.29Å; H281-T285 PolarHBondContact N-OG1 3.48Å; H281-S425 PolarHBondContact CE1-O 3.07Å; H281-E426 HydrophobicContact CB-CB 4.21Å; H281-E426 WeakPolarHBondContact ND1-CA 3.12Å; H281-E426 PolarHBondContact ND1-O 3.27Å |
| 282 | R | 97.9 | Very high | 97.5 | Very high | 213 Ų | 213 | 65 Ų | 65 | 80% | 0.804 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -58.9 | -30.5 | 177.2 | -176.3 | 177.9 | 176.4 | 95.9 | -0.6 | 113.6 | L278 F280 | L278-R282 PolarHBondContact O-N 2.64Å; L278-R282 VanDerWaalsContact O-N 3.16Å; F280-R282 VanDerWaalsContact C-N 3.28Å; F280-R282 PolarHBondContact O-N 3.21Å |
| 283 | H | 97.3 | Very high | 97.3 | Very high | 60 Ų | 60 | 64.4 Ų | 64.4 | 28% | 0.278 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 16 | 178.1 | -63.2 | -103.3 | 0 | 0 | 0 | 112.5 | K279 F280 H281 N437 D439 I440 | K279-H283 PolarHBondContact O-CD2 2.79Å; F280-H283 PolarHBondContact O-N 3.17Å; F280-H283 VanDerWaalsContact O-N 3.12Å; H281-H283 PolarHBondContact O-N 2.89Å; H283-N437 PolarHBondContact O-ND2 3.01Å; H283-D439 HydrophobicContact CB-CB 4.33Å; H283-D439 IonicContact CE1-OD2 2.63Å; H283-D439 PolarHBondContact CE1-OD2 2.86Å; H283-D439 IonicContact CG-OD2 2.67Å; H283-D439 VanDerWaalsContact ND1-CB 3.34Å; H283-D439 WeakPolarHBondContact ND1-CB 3.12Å; H283-D439 IonicContact ND1-OD2 3.65Å; H283-D439 PolarHBondContact ND1-OD2 3.16Å; H283-I440 HydrophobicContact CB-CD1 3.63Å; H283-I440 HydrophobicContact CB-CG1 4Å; H283-I440 WeakPolarHBondContact O-CG1 3.48Å |
| 284 | Q | 97.8 | Very high | 97.3 | Very high | 83 Ų | 83 | 66.3 Ų | 66.3 | 39% | 0.388 | 30% | 0.304 | S | S | . | . | trans | 59 | 81.8 | -174.9 | -56 | -178.5 | -85 | 0 | 0 | 112.5 | F280 H281 E286 | F280-Q284 PolarHBondContact O-N 3.36Å; H281-Q284 PolarHBondContact O-N 2.94Å; Q284-E286 PolarHBondContact O-N 2.93Å | ||
| 285 | T | 98.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | trans | -37.9 | 124.4 | -176.8 | -48.1 | 0 | 0 | 0 | 0 | 113.8 | W277 F280 H281 M287 Q428 F429 I430 | W277-T285 HydrophobicContact CZ3-CG2 4.4Å; F280-T285 VanDerWaalsContact C-OG1 3.25Å; F280-T285 HydrophobicContact CB-CG2 4.06Å; F280-T285 PolarHBondContact O-N 2.91Å; F280-T285 VanDerWaalsContact O-N 3.16Å; F280-T285 PolarHBondContact O-OG1 3.11Å; H281-T285 WeakPolarHBondContact CA-OG1 3.29Å; H281-T285 PolarHBondContact N-OG1 3.48Å; T285-M287 HydrophobicContact CG2-CE 4.02Å; T285-Q428 WeakPolarHBondContact CB-O 3.26Å; T285-Q428 PolarHBondContact OG1-O 3.09Å; T285-F429 HydrophobicContact CG2-CB 3.8Å; T285-F429 CarbonylContact O-C 3.58Å; T285-F429 WeakPolarHBondContact O-CA 3.23Å; T285-F429 VanDerWaalsContact O-CB 3.25Å; T285-F429 WeakPolarHBondContact O-CB 3.46Å; T285-I430 PolarHBondContact O-N 2.88Å | ||
| 286 | E | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 142.8 | 171.6 | -55.9 | 177.7 | -172.8 | 0 | 0 | 110.9 | Q284 W334 I430 V432 Y435 Q436 N437 I440 K444 | Q284-E286 PolarHBondContact O-N 2.93Å; E286-W334 HydrophobicContact CG-CZ2 4.17Å; E286-W334 WeakPolarHBondContact OE1-CZ2 3.49Å; E286-W334 PolarHBondContact OE1-NE1 2.9Å; E286-I430 WeakPolarHBondContact CA-O 3.28Å; E286-V432 HydrophobicContact CB-CG2 3.99Å; E286-Y435 HydrophobicContact CB-CD1 4.02Å; E286-Y435 HydrophobicContact CB-CE1 4.36Å; E286-Y435 VanDerWaalsContact OE2-CA 3.23Å; E286-Y435 WeakPolarHBondContact OE2-CA 3.19Å; E286-Q436 PolarHBondContact OE2-N 2.95Å; E286-N437 VanDerWaalsContact OE1-CB 3.23Å; E286-N437 WeakPolarHBondContact OE1-CB 3.5Å; E286-N437 PolarHBondContact OE1-N 3.38Å; E286-I440 HydrophobicContact CB-CG2 3.96Å; E286-I440 HydrophobicContact CG-CG1 4.36Å; E286-I440 HydrophobicContact CG-CG2 4.22Å; E286-K444 VanDerWaalsContact O-CE 3.29Å; E286-K444 WeakPolarHBondContact O-CE 3.32Å; E286-K444 PolarHBondContact O-NZ 3.18Å |
| 287 | M | 98.7 | Very high | 97.3 | Very high | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.015 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 127 | 172.8 | -66.4 | -65.4 | -175.1 | 0 | 0 | 110.6 | W277 T285 M296 P298 L374 F429 I430 A431 V432 | W277-M287 HydrophobicContact CH2-CE 3.62Å; W277-M287 HydrophobicContact CZ3-CE 3.87Å; T285-M287 HydrophobicContact CG2-CE 4.02Å; M287-M296 HydrophobicContact CE-CB 4.17Å; M287-M296 HydrophobicContact SD-CB 4.06Å; M287-M296 HydrophobicContact SD-CG 4.42Å; M287-P298 WeakPolarHBondContact CE-O 3.34Å; M287-L374 HydrophobicContact CB-CD1 3.87Å; M287-L374 HydrophobicContact CG-CD1 4.35Å; M287-F429 HydrophobicContact CB-CD2 3.57Å; M287-F429 HydrophobicContact CB-CE2 3.81Å; M287-F429 HydrophobicContact CB-CG 4.11Å; M287-F429 HydrophobicContact CG-CB 3.82Å; M287-F429 HydrophobicContact CG-CD1 3.9Å; M287-F429 HydrophobicContact CG-CD2 3.48Å; M287-F429 VanDerWaalsContact CG-CD2 3.48Å; M287-F429 HydrophobicContact CG-CE1 4.3Å; M287-F429 HydrophobicContact CG-CE2 3.94Å; M287-F429 HydrophobicContact CG-CG 3.47Å; M287-F429 VanDerWaalsContact CG-CG 3.47Å; M287-F429 HydrophobicContact CG-CZ 4.32Å; M287-I430 PolarHBondContact N-O 3.02Å; M287-A431 WeakPolarHBondContact O-CA 3.08Å; M287-V432 PolarHBondContact O-N 2.67Å |
| 288 | I | 98.4 | Very high | 97.2 | Very high | 26 Ų | 26 | 63.9 Ų | 63.9 | 13% | 0.133 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 132.9 | 178 | -64.4 | -76 | 0 | 0 | 0 | 110.2 | T290 R294 V432 Y435 | I288-T290 HydrophobicContact CG2-CG2 3.85Å; I288-R294 HydrophobicContact CB-CG 4.11Å; I288-R294 HydrophobicContact CG2-CB 4.39Å; I288-R294 HydrophobicContact CG2-CG 3.97Å; I288-R294 WeakPolarHBondContact O-CB 3.09Å; I288-V432 CarbonylContact C-O 3.53Å; I288-V432 VanDerWaalsContact CA-O 3.25Å; I288-V432 WeakPolarHBondContact CA-O 3.49Å; I288-V432 HydrophobicContact CD1-CG2 4.13Å; I288-Y435 HydrophobicContact CD1-CD1 3.97Å; I288-Y435 HydrophobicContact CD1-CD2 4.15Å; I288-Y435 HydrophobicContact CD1-CE1 3.89Å; I288-Y435 HydrophobicContact CD1-CE2 4.08Å; I288-Y435 HydrophobicContact CD1-CG 4.08Å; I288-Y435 HydrophobicContact CG1-CD1 4.14Å; I288-Y435 HydrophobicContact CG1-CD2 4.44Å; I288-Y435 HydrophobicContact CG1-CE1 3.52Å; I288-Y435 HydrophobicContact CG1-CE2 3.88Å; I288-Y435 WeakPolarHBondContact CG1-OH 3.38Å |
| 289 | I | 97.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | trans | -116.8 | 137.9 | 171.1 | 67.4 | 177.8 | 0 | 0 | 0 | 110.6 | L374 N376 L390 A431 V432 T433 | I289-L374 HydrophobicContact CG2-CB 3.77Å; I289-N376 HydrophobicContact CD1-CB 3.69Å; I289-N376 HydrophobicContact CG1-CB 4Å; I289-L390 HydrophobicContact CG2-CB 4.47Å; I289-L390 HydrophobicContact CG2-CD1 4.4Å; I289-A431 HydrophobicContact CD1-CB 4.28Å; I289-A431 HydrophobicContact CG2-CB 4.02Å; I289-V432 PolarHBondContact N-O 3.46Å; I289-T433 HydrophobicContact CG1-CG2 4.41Å | ||
| 290 | T | 96 | Very high | 97.2 | Very high | 49 Ų | 49 | 58.7 Ų | 58.7 | 30% | 0.301 | 26% | 0.256 | S | S | . | . | trans | -140.6 | 159.1 | -178.5 | 69.3 | 0 | 0 | 0 | 0 | 111.7 | I288 Q292 G293 R294 T375 | I288-T290 HydrophobicContact CG2-CG2 3.85Å; T290-Q292 PolarHBondContact O-N 3.11Å; T290-Q292 VanDerWaalsContact O-N 3.16Å; T290-G293 PolarHBondContact O-N 3.46Å; T290-G293 PolarHBondContact OG1-N 2.7Å; T290-R294 HydrophobicContact CG2-CB 4.22Å; T290-T375 WeakPolarHBondContact O-CA 3.43Å; T290-T375 WeakPolarHBondContact O-CB 3.28Å; T290-T375 PolarHBondContact O-OG1 2.79Å | ||
| 291 | K | 92.8 | Very high | 97.2 | Very high | 163 Ų | 163 | 58.8 Ų | 58.8 | 71% | 0.709 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -36 | -179.6 | -173.4 | 179.2 | 179.2 | -178.1 | 0 | 113.8 | T375 N376 | K291-T375 PolarHBondContact O-OG1 3.37Å; K291-N376 WeakPolarHBondContact CA-OD1 3.47Å; K291-N376 PolarHBondContact N-OD1 2.91Å |
| 292 | Q | 92.2 | Very high | 97.2 | Very high | 159 Ų | 159 | 55.7 Ų | 55.7 | 74% | 0.743 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 0.3 | 179.2 | -65.7 | -179.2 | -9.7 | 0 | 0 | 114.3 | T290 K373 M387 | T290-Q292 PolarHBondContact O-N 3.11Å; T290-Q292 VanDerWaalsContact O-N 3.16Å; Q292-K373 PolarHBondContact O-NZ 3.19Å; Q292-M387 VanDerWaalsContact O-CE 3.28Å; Q292-M387 WeakPolarHBondContact O-CE 3.38Å |
| 293 | G | 94.3 | Very high | 97.2 | Very high | 9 Ų | 9 | 48.1 Ų | 48.1 | 9% | 0.093 | 22% | 0.218 | C | C | . | . | trans | 75.8 | 127 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | T290 L374 | T290-G293 PolarHBondContact O-N 3.46Å; T290-G293 PolarHBondContact OG1-N 2.7Å; G293-L374 WeakPolarHBondContact CA-O 3.42Å | ||
| 294 | R | 96.8 | Very high | 97.2 | Very high | 134 Ų | 134 | 45.3 Ų | 45.3 | 51% | 0.506 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 135.9 | 179.5 | -175 | 68.8 | 174.9 | -172.4 | -2.4 | 110.6 | I288 T290 K373 L374 | I288-R294 HydrophobicContact CB-CG 4.11Å; I288-R294 HydrophobicContact CG2-CB 4.39Å; I288-R294 HydrophobicContact CG2-CG 3.97Å; I288-R294 WeakPolarHBondContact O-CB 3.09Å; T290-R294 HydrophobicContact CG2-CB 4.22Å; R294-K373 CarbonylContact O-C 3.55Å; R294-K373 WeakPolarHBondContact O-CA 3.42Å; R294-L374 PolarHBondContact N-O 3.49Å; R294-L374 PolarHBondContact O-N 3.4Å |
| 295 | R | 97 | Very high | 97.2 | Very high | 142 Ų | 142 | 44.4 Ų | 44.4 | 54% | 0.536 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 142.6 | 174.3 | -73.2 | 175.8 | 176.8 | 174.6 | 3 | 111 | G370 L372 K373 | R295-G370 WeakPolarHBondContact CD-O 3.47Å; R295-G370 PolarHBondContact NE-O 2.91Å; R295-L372 WeakPolarHBondContact CA-O 3.46Å; R295-K373 HydrophobicContact CG-CG 4.29Å |
| 296 | M | 98 | Very high | 97 | Very high | 11 Ų | 11 | 45.9 Ų | 45.9 | 5% | 0.054 | 22% | 0.218 | C | C | . | . | trans | -65.5 | 147.6 | 174.4 | -62.2 | -174.3 | -59 | 0 | 0 | 111.6 | M287 L300 L372 L374 | M287-M296 HydrophobicContact CE-CB 4.17Å; M287-M296 HydrophobicContact SD-CB 4.06Å; M287-M296 HydrophobicContact SD-CG 4.42Å; M296-L300 HydrophobicContact CE-CB 4.17Å; M296-L300 HydrophobicContact CE-CD1 3.75Å; M296-L300 HydrophobicContact CE-CG 3.73Å; M296-L300 HydrophobicContact SD-CD1 4.46Å; M296-L372 HydrophobicContact CE-CB 4.33Å; M296-L372 HydrophobicContact CE-CD1 3.96Å; M296-L372 HydrophobicContact CE-CD2 3.89Å; M296-L372 HydrophobicContact CE-CG 4.29Å; M296-L372 HydrophobicContact CG-CD2 4.34Å; M296-L372 HydrophobicContact SD-CD2 4.07Å; M296-L374 HydrophobicContact CG-CD1 3.73Å; M296-L374 HydrophobicContact CG-CD2 4.42Å; M296-L374 HydrophobicContact CG-CG 3.9Å; M296-L374 HydrophobicContact SD-CD1 4.2Å; M296-L374 HydrophobicContact SD-CD2 4.39Å; M296-L374 HydrophobicContact SD-CG 4.44Å | ||
| 297 | F | 98.4 | Very high | 96.8 | Very high | 26 Ų | 26 | 46.1 Ų | 46.1 | 11% | 0.114 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -143.5 | 121.7 | 165.6 | -173.4 | -88.3 | 0 | 0 | 0 | 111 | L276 F280 K444 H447 N448 | L276-F297 HydrophobicContact CD2-CZ 4.34Å; F280-F297 HydrophobicContact CE2-CD1 4.35Å; F280-F297 AromaticContact CE2-CE1 3.9Å; F280-F297 HydrophobicContact CE2-CE1 3.9Å; F280-F297 HydrophobicContact CZ-CD1 4.11Å; F280-F297 AromaticContact CZ-CE1 3.85Å; F280-F297 HydrophobicContact CZ-CE1 3.85Å; F297-K444 HydrophobicContact CD1-CD 3.85Å; F297-K444 PolarHBondContact O-NZ 3.29Å; F297-H447 HydrophobicContact CE1-CB 3.94Å; F297-H447 HydrophobicContact CZ-CB 3.86Å; F297-H447 VanDerWaalsContact CZ-O 3.28Å; F297-H447 WeakPolarHBondContact CZ-O 3.46Å; F297-N448 HydrophobicContact CD1-CB 3.94Å; F297-N448 HydrophobicContact CD2-CB 3.95Å; F297-N448 HydrophobicContact CE1-CB 3.86Å; F297-N448 HydrophobicContact CE2-CB 3.87Å; F297-N448 HydrophobicContact CG-CB 4Å; F297-N448 HydrophobicContact CZ-CB 3.84Å |
| 298 | P | 98.2 | Very high | 96.5 | Very high | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.032 | 23% | 0.229 | C | C | . | . | S | Bend | cis | -58.3 | 153 | -7.5 | -19.7 | 33.2 | 0 | 0 | 0 | 111.2 | L276 W277 F280 M287 | L276-P298 HydrophobicContact CD2-CB 4.32Å; L276-P298 HydrophobicContact CD2-CG 3.96Å; L276-P298 HydrophobicContact CG-CG 3.89Å; W277-P298 HydrophobicContact CD2-CB 4.25Å; W277-P298 HydrophobicContact CD2-CG 4.35Å; W277-P298 WeakPolarHBondContact CH2-O 3.36Å; W277-P298 HydrophobicContact CZ2-CB 3.91Å; W277-P298 VanDerWaalsContact CZ2-O 3.31Å; W277-P298 WeakPolarHBondContact CZ2-O 3.37Å; F280-P298 VanDerWaalsContact CD2-CD 3.47Å; F280-P298 HydrophobicContact CD2-CG 3.45Å; F280-P298 VanDerWaalsContact CD2-CG 3.45Å; F280-P298 HydrophobicContact CE2-CG 3.58Å; F280-P298 HydrophobicContact CG-CG 4.44Å; M287-P298 WeakPolarHBondContact CE-O 3.34Å |
| 299 | F | 97.6 | Very high | 96.4 | Very high | 79 Ų | 79 | 49.8 Ų | 49.8 | 35% | 0.346 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -83.5 | 154 | 171.5 | 54.5 | -92.8 | 0 | 0 | 0 | 109.9 | ||
| 300 | L | 98.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 134.2 | 173.5 | -64.9 | 169.2 | 0 | 0 | 0 | 108.8 | W277 M296 F302 V317 F369 P398 T427 | W277-L300 HydrophobicContact CH2-CD2 3.93Å; W277-L300 HydrophobicContact CH2-CG 4.49Å; W277-L300 HydrophobicContact CZ2-CD2 3.61Å; W277-L300 HydrophobicContact CZ2-CG 4.18Å; M296-L300 HydrophobicContact CE-CB 4.17Å; M296-L300 HydrophobicContact CE-CD1 3.75Å; M296-L300 HydrophobicContact CE-CG 3.73Å; M296-L300 HydrophobicContact SD-CD1 4.46Å; L300-F302 HydrophobicContact CB-CE2 3.81Å; L300-F302 HydrophobicContact CB-CZ 3.92Å; L300-F302 HydrophobicContact CD2-CZ 4.12Å; L300-F302 HydrophobicContact CG-CZ 4.43Å; L300-V317 HydrophobicContact CD1-CG1 3.86Å; L300-V317 HydrophobicContact CD1-CG2 4.2Å; L300-F369 HydrophobicContact CB-CB 4.17Å; L300-F369 HydrophobicContact CB-CD2 4.42Å; L300-F369 WeakPolarHBondContact O-CB 3.29Å; L300-F369 PolarHBondContact O-N 2.91Å; L300-P398 HydrophobicContact CD1-CB 3.56Å; L300-P398 HydrophobicContact CD1-CG 4.06Å; L300-P398 HydrophobicContact CD2-CB 4.27Å; L300-P398 HydrophobicContact CD2-CG 4.4Å; L300-T427 HydrophobicContact CD2-CG2 3.77Å |
| 301 | S | 98.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.007 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 134.1 | -174.9 | -137.4 | 0 | 0 | 0 | 0 | 108 | C272 E366 I367 S368 | C272-S301 PolarHBondContact N-O 3.31Å; S301-E366 WeakPolarHBondContact CB-OE1 3.31Å; S301-E366 PolarHBondContact OG-OE1 3.42Å; S301-I367 CarbonylContact C-O 3.42Å; S301-I367 VanDerWaalsContact CA-O 3.27Å; S301-I367 WeakPolarHBondContact CA-O 3.46Å; S301-I367 PolarHBondContact OG-O 3.23Å; S301-S368 VanDerWaalsContact OG-CB 3.29Å; S301-S368 WeakPolarHBondContact OG-CB 3.42Å |
| 302 | F | 98.4 | Very high | 96.2 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 1% | 0.013 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 148.2 | -167.3 | -51.3 | -83.4 | 0 | 0 | 0 | 112.5 | V269 Y270 L271 L300 V317 E366 I367 F369 L400 F424 | V269-F302 HydrophobicContact CG1-CB 3.99Å; V269-F302 HydrophobicContact CG1-CD1 3.92Å; V269-F302 HydrophobicContact CG1-CG 4.19Å; Y270-F302 VanDerWaalsContact O-CA 3.27Å; Y270-F302 WeakPolarHBondContact O-CA 3.27Å; L271-F302 HydrophobicContact CD1-CD1 4.04Å; L271-F302 HydrophobicContact CD1-CE1 3.66Å; L271-F302 HydrophobicContact CD1-CZ 4.41Å; L300-F302 HydrophobicContact CB-CE2 3.81Å; L300-F302 HydrophobicContact CB-CZ 3.92Å; L300-F302 HydrophobicContact CD2-CZ 4.12Å; L300-F302 HydrophobicContact CG-CZ 4.43Å; F302-V317 HydrophobicContact CE2-CG2 4.44Å; F302-E366 CarbonylContact O-C 3.44Å; F302-E366 WeakPolarHBondContact O-CA 3.41Å; F302-I367 HydrophobicContact CB-CD1 4.5Å; F302-I367 HydrophobicContact CB-CG1 3.98Å; F302-I367 HydrophobicContact CD2-CD1 4.44Å; F302-I367 HydrophobicContact CD2-CG1 4.43Å; F302-I367 PolarHBondContact N-O 3.29Å; F302-I367 WeakPolarHBondContact O-CG1 3.41Å; F302-I367 PolarHBondContact O-N 3.22Å; F302-F369 AromaticContact CD2-CD2 3.98Å; F302-F369 HydrophobicContact CD2-CD2 3.98Å; F302-F369 AromaticContact CD2-CE2 3.82Å; F302-F369 HydrophobicContact CD2-CE2 3.82Å; F302-F369 AromaticContact CE2-CD2 3.81Å; F302-F369 HydrophobicContact CE2-CD2 3.81Å; F302-F369 AromaticContact CE2-CE2 3.83Å; F302-F369 HydrophobicContact CE2-CE2 3.83Å; F302-L400 HydrophobicContact CB-CD2 4.46Å; F302-L400 HydrophobicContact CD1-CD2 4.41Å; F302-L400 HydrophobicContact CD2-CD1 4.03Å; F302-L400 HydrophobicContact CD2-CD2 3.97Å; F302-L400 HydrophobicContact CE2-CB 4.35Å; F302-L400 HydrophobicContact CE2-CD1 3.83Å; F302-L400 HydrophobicContact CE2-CD2 4.25Å; F302-L400 HydrophobicContact CE2-CG 4.38Å; F302-L400 HydrophobicContact CG-CD2 4.04Å; F302-L400 HydrophobicContact CZ-CB 4.25Å; F302-F424 HydrophobicContact CD1-CD2 4.47Å; F302-F424 AromaticContact CD1-CE2 3.87Å; F302-F424 HydrophobicContact CD1-CE2 3.87Å; F302-F424 HydrophobicContact CD1-CZ 4.4Å; F302-F424 AromaticContact CE1-CD2 3.72Å; F302-F424 HydrophobicContact CE1-CD2 3.72Å; F302-F424 AromaticContact CE1-CE2 3.53Å; F302-F424 HydrophobicContact CE1-CE2 3.53Å; F302-F424 HydrophobicContact CE1-CZ 4.42Å |
| 303 | N | 98.1 | Very high | 96.3 | Very high | 54 Ų | 54 | 42.1 Ų | 42.1 | 29% | 0.289 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 130.3 | 164.6 | -175.7 | -76.5 | 0 | 0 | 0 | 108.5 | V269 Y270 N305 | V269-N303 WeakPolarHBondContact CA-O 3.25Å; Y270-N303 PolarHBondContact N-O 2.82Å; Y270-N303 PolarHBondContact O-N 3.38Å; N303-N305 PolarHBondContact OD1-ND2 3.08Å |
| 304 | I | 97.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 137.3 | -177 | -58.1 | 173.3 | 0 | 0 | 0 | 108.8 | A267 H268 V269 L307 V315 M363 I367 I402 | A267-I304 HydrophobicContact CB-CG2 4.45Å; H268-I304 WeakPolarHBondContact O-CA 3.41Å; V269-I304 HydrophobicContact CG2-CG1 4.27Å; I304-L307 HydrophobicContact CG2-CD1 3.79Å; I304-L307 HydrophobicContact CG2-CG 3.98Å; I304-V315 HydrophobicContact CD1-CG1 4.42Å; I304-M363 WeakPolarHBondContact O-CA 3.43Å; I304-M363 WeakPolarHBondContact O-CG 3.44Å; I304-I367 HydrophobicContact CD1-CD1 3.52Å; I304-I367 HydrophobicContact CD1-CG1 4.09Å; I304-I367 HydrophobicContact CG1-CD1 4.39Å; I304-I402 HydrophobicContact CD1-CD1 3.83Å; I304-I402 HydrophobicContact CG1-CD1 4.35Å; I304-I402 HydrophobicContact CG2-CD1 4Å |
| 305 | N | 96.9 | Very high | 96.4 | Very high | 64 Ų | 64 | 36 Ų | 36 | 34% | 0.342 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 165.8 | 173.6 | -63.2 | -86.2 | 0 | 0 | 0 | 110.7 | A267 H268 N303 | A267-N305 CarbonylContact C-O 3.5Å; A267-N305 WeakPolarHBondContact CA-O 3.07Å; H268-N305 HydrophobicContact CB-CB 4.47Å; H268-N305 PolarHBondContact N-O 3.14Å; H268-N305 PolarHBondContact O-N 3.08Å; N303-N305 PolarHBondContact OD1-ND2 3.08Å |
| 306 | G | 94.6 | Very high | 96.3 | Very high | 32 Ų | 32 | 30.1 Ų | 30.1 | 33% | 0.33 | 17% | 0.17 | S | C | . | . | S | Bend | trans | 77.8 | 16.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116 | F265 M363 | F265-G306 CarbonylContact C-O 3.57Å; G306-M363 PolarHBondContact N-SD 3.02Å |
| 307 | L | 94.6 | Very high | 96.3 | Very high | 5 Ų | 5 | 29.6 Ų | 29.6 | 3% | 0.026 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -79.3 | 160 | 166.5 | -62.8 | 176.9 | 0 | 0 | 0 | 110.8 | A267 I304 P309 Y313 W362 M363 I402 | A267-L307 HydrophobicContact CB-CD2 3.66Å; A267-L307 HydrophobicContact CB-CG 4.38Å; I304-L307 HydrophobicContact CG2-CD1 3.79Å; I304-L307 HydrophobicContact CG2-CG 3.98Å; L307-P309 WeakPolarHBondContact O-CD 3.4Å; L307-Y313 HydrophobicContact CB-CD2 4.49Å; L307-Y313 HydrophobicContact CB-CE2 3.84Å; L307-Y313 HydrophobicContact CD1-CD2 4.04Å; L307-Y313 HydrophobicContact CD1-CE2 4.22Å; L307-Y313 HydrophobicContact CD1-CG 4.36Å; L307-Y313 HydrophobicContact CD2-CD1 4.13Å; L307-Y313 HydrophobicContact CD2-CD2 4.49Å; L307-Y313 HydrophobicContact CD2-CE1 3.81Å; L307-Y313 HydrophobicContact CD2-CE2 4.19Å; L307-Y313 HydrophobicContact CD2-CG 4.46Å; L307-Y313 HydrophobicContact CG-CE2 4.31Å; L307-W362 HydrophobicContact CD1-CB 3.8Å; L307-W362 HydrophobicContact CD1-CG 4.4Å; L307-M363 HydrophobicContact CB-CE 4.06Å; L307-M363 HydrophobicContact CB-CG 4.39Å; L307-M363 HydrophobicContact CB-SD 3.96Å; L307-M363 HydrophobicContact CD1-CG 4.44Å; L307-M363 PolarHBondContact N-SD 2.53Å; L307-M363 VanDerWaalsContact N-SD 3.4Å; L307-M363 VanDerWaalsContact O-CE 3.25Å; L307-M363 WeakPolarHBondContact O-CE 3.45Å; L307-I402 HydrophobicContact CD2-CG2 4Å |
| 308 | N | 93.5 | Very high | 96.2 | Very high | 39 Ų | 39 | 29.8 Ų | 29.8 | 21% | 0.209 | 17% | 0.168 | C | C | . | . | trans | -68.2 | 122 | 166.4 | 177.3 | -0.5 | 0 | 0 | 0 | 109.1 | F265 T310 A311 Y313 G359 | F265-N308 HydrophobicContact CD2-CB 3.85Å; F265-N308 HydrophobicContact CE2-CB 4.19Å; F265-N308 HydrophobicContact CG-CB 4.1Å; N308-T310 PolarHBondContact O-N 2.9Å; N308-T310 VanDerWaalsContact O-N 3.16Å; N308-T310 PolarHBondContact OD1-N 3.26Å; N308-T310 PolarHBondContact OD1-OG1 3.48Å; N308-A311 HydrophobicContact CB-CB 3.91Å; N308-A311 PolarHBondContact O-N 2.79Å; N308-Y313 WeakPolarHBondContact CB-OH 3.4Å; N308-Y313 PolarHBondContact N-OH 2.88Å; N308-Y313 VanDerWaalsContact N-OH 3.14Å; N308-G359 WeakPolarHBondContact O-CA 3.38Å | ||
| 309 | P | 95.6 | Very high | 96.1 | Very high | 66 Ų | 66 | 29.6 Ų | 29.6 | 43% | 0.429 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -58 | -30.3 | -176.6 | -27 | 35.8 | 0 | 0 | 0 | 115.1 | L307 S360 M363 | L307-P309 WeakPolarHBondContact O-CD 3.4Å; P309-S360 WeakPolarHBondContact O-CB 3.38Å; P309-S360 PolarHBondContact O-N 2.85Å; P309-M363 HydrophobicContact CG-CE 4.15Å |
| 310 | T | 94.6 | Very high | 96 | Very high | 109 Ų | 109 | 27.7 Ų | 27.7 | 67% | 0.669 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -97.1 | -23.3 | -174.7 | 57.9 | 0 | 0 | 0 | 0 | 114.5 | N308 | N308-T310 PolarHBondContact O-N 2.9Å; N308-T310 VanDerWaalsContact O-N 3.16Å; N308-T310 PolarHBondContact OD1-N 3.26Å; N308-T310 PolarHBondContact OD1-OG1 3.48Å |
| 311 | A | 92.8 | Very high | 95.8 | Very high | 15 Ų | 15 | 29.7 Ų | 29.7 | 12% | 0.124 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -69.9 | 150.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | N308 Y313 T358 G359 E404 | N308-A311 HydrophobicContact CB-CB 3.91Å; N308-A311 PolarHBondContact O-N 2.79Å; A311-Y313 HydrophobicContact CB-CE2 3.87Å; A311-Y313 WeakPolarHBondContact O-CD2 3.42Å; A311-Y313 WeakPolarHBondContact O-CE2 3.42Å; A311-T358 CarbonylContact O-C 3.55Å; A311-T358 VanDerWaalsContact O-CA 3.28Å; A311-T358 WeakPolarHBondContact O-CA 3.25Å; A311-G359 PolarHBondContact O-N 3.43Å; A311-E404 HydrophobicContact CB-CG 4.06Å |
| 312 | H | 94.2 | Very high | 95.7 | Very high | 87 Ų | 87 | 31.5 Ų | 31.5 | 40% | 0.403 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 143.7 | 175.3 | -78.2 | -114.8 | 0 | 0 | 0 | 111 | N357 V405 | H312-N357 CarbonylContact C-O 3.44Å; H312-N357 WeakPolarHBondContact CA-O 3.4Å; H312-V405 HydrophobicContact CB-CB 4.15Å; H312-V405 PolarHBondContact O-N 2.86Å |
| 313 | Y | 94.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 138.1 | -180 | -60.4 | -89.1 | 0 | 0 | 0 | 111.6 | L307 N308 A311 P356 N357 W362 I402 V403 E404 | L307-Y313 HydrophobicContact CB-CD2 4.49Å; L307-Y313 HydrophobicContact CB-CE2 3.84Å; L307-Y313 HydrophobicContact CD1-CD2 4.04Å; L307-Y313 HydrophobicContact CD1-CE2 4.22Å; L307-Y313 HydrophobicContact CD1-CG 4.36Å; L307-Y313 HydrophobicContact CD2-CD1 4.13Å; L307-Y313 HydrophobicContact CD2-CD2 4.49Å; L307-Y313 HydrophobicContact CD2-CE1 3.81Å; L307-Y313 HydrophobicContact CD2-CE2 4.19Å; L307-Y313 HydrophobicContact CD2-CG 4.46Å; L307-Y313 HydrophobicContact CG-CE2 4.31Å; N308-Y313 WeakPolarHBondContact CB-OH 3.4Å; N308-Y313 PolarHBondContact N-OH 2.88Å; N308-Y313 VanDerWaalsContact N-OH 3.14Å; A311-Y313 HydrophobicContact CB-CE2 3.87Å; A311-Y313 WeakPolarHBondContact O-CD2 3.42Å; A311-Y313 WeakPolarHBondContact O-CE2 3.42Å; Y313-P356 WeakPolarHBondContact O-CA 3.46Å; Y313-N357 PolarHBondContact N-O 3.46Å; Y313-N357 PolarHBondContact O-N 3.16Å; Y313-W362 PolarHBondContact O-NE1 3.46Å; Y313-I402 HydrophobicContact CD1-CG2 3.75Å; Y313-I402 HydrophobicContact CG-CG2 4.19Å; Y313-V403 CarbonylContact C-O 3.58Å; Y313-V403 WeakPolarHBondContact CA-O 3.47Å; Y313-E404 HydrophobicContact CD1-CB 3.83Å; Y313-E404 HydrophobicContact CD1-CG 4.03Å; Y313-E404 HydrophobicContact CE1-CB 3.54Å; Y313-E404 HydrophobicContact CE1-CG 3.51Å; Y313-E404 WeakPolarHBondContact CE1-OE2 3.34Å; Y313-E404 PolarHBondContact OH-OE2 2.91Å |
| 314 | N | 95.4 | Very high | 95.3 | Very high | 15 Ų | 15 | 34.8 Ų | 34.8 | 8% | 0.08 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 134.5 | 160.5 | -76 | -38.7 | 0 | 0 | 0 | 109.4 | P356 I402 V403 E411 | N314-P356 WeakPolarHBondContact OD1-CA 3.16Å; N314-P356 WeakPolarHBondContact OD1-CB 3.48Å; N314-I402 WeakPolarHBondContact O-CA 3.46Å; N314-V403 PolarHBondContact N-O 3.35Å; N314-V403 PolarHBondContact O-N 2.81Å; N314-E411 PolarHBondContact ND2-OE1 2.89Å; N314-E411 PolarHBondContact ND2-OE2 2.94Å |
| 315 | V | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 123.1 | 176.9 | -174.8 | 0 | 0 | 0 | 0 | 109.6 | I304 H352 S355 W362 I367 F369 L400 H401 I402 | I304-V315 HydrophobicContact CD1-CG1 4.42Å; V315-H352 WeakPolarHBondContact O-CB 3.1Å; V315-H352 PolarHBondContact O-N 3.08Å; V315-S355 PolarHBondContact N-OG 3.45Å; V315-S355 VanDerWaalsContact N-OG 3.16Å; V315-S355 PolarHBondContact O-OG 2.63Å; V315-W362 HydrophobicContact CB-CD2 4.49Å; V315-W362 HydrophobicContact CB-CH2 4.02Å; V315-W362 HydrophobicContact CB-CZ2 3.96Å; V315-W362 HydrophobicContact CB-CZ3 4.33Å; V315-W362 HydrophobicContact CG2-CD2 3.69Å; V315-W362 VanDerWaalsContact CG2-CE2 3.47Å; V315-W362 HydrophobicContact CG2-CE3 4.17Å; V315-W362 HydrophobicContact CG2-CG 4.09Å; V315-W362 HydrophobicContact CG2-CH2 4.17Å; V315-W362 HydrophobicContact CG2-CZ2 3.71Å; V315-W362 HydrophobicContact CG2-CZ3 4.39Å; V315-I367 HydrophobicContact CG1-CD1 3.72Å; V315-F369 HydrophobicContact CG1-CZ 4.28Å; V315-L400 HydrophobicContact CG1-CD1 3.81Å; V315-L400 HydrophobicContact CG1-CG 4.44Å; V315-H401 WeakPolarHBondContact CA-O 3.29Å; V315-I402 HydrophobicContact CG1-CG1 4.33Å; V315-I402 HydrophobicContact CG2-CG1 4.29Å; V315-I402 HydrophobicContact CG2-CG2 4.28Å |
| 316 | F | 96.4 | Very high | 95 | Very high | 18 Ų | 18 | 37.2 Ų | 37.2 | 8% | 0.079 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 158.4 | -175.2 | 64.7 | -92.3 | 0 | 0 | 0 | 112.9 | Y350 V351 H401 V403 L413 | F316-Y350 CarbonylContact C-O 3.55Å; F316-Y350 VanDerWaalsContact CA-O 3.24Å; F316-Y350 WeakPolarHBondContact CA-O 3.4Å; F316-Y350 VanDerWaalsContact CB-O 3.28Å; F316-Y350 WeakPolarHBondContact CB-O 3.47Å; F316-V351 HydrophobicContact CB-CB 4.41Å; F316-V351 HydrophobicContact CB-CG2 4.17Å; F316-H401 HydrophobicContact CD1-CB 4.01Å; F316-H401 HydrophobicContact CD2-CB 3.81Å; F316-H401 HydrophobicContact CE1-CB 3.7Å; F316-H401 HydrophobicContact CE2-CB 3.48Å; F316-H401 VanDerWaalsContact CE2-CB 3.48Å; F316-H401 AromaticContact CE2-CD2 3.72Å; F316-H401 AromaticContact CE2-CG 3.53Å; F316-H401 HydrophobicContact CG-CB 4.06Å; F316-H401 HydrophobicContact CZ-CB 3.43Å; F316-H401 VanDerWaalsContact CZ-CB 3.43Å; F316-H401 AromaticContact CZ-CG 3.82Å; F316-H401 PolarHBondContact N-O 3.26Å; F316-H401 PolarHBondContact O-N 2.91Å; F316-V403 HydrophobicContact CE1-CG2 3.75Å; F316-V403 HydrophobicContact CZ-CG2 4.35Å; F316-L413 HydrophobicContact CE1-CD1 4.04Å; F316-L413 HydrophobicContact CZ-CD1 4.37Å |
| 317 | V | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 126.6 | 173.8 | 166.8 | 0 | 0 | 0 | 0 | 109.7 | L300 F302 V319 M349 Y350 F369 L372 P398 R399 L400 | L300-V317 HydrophobicContact CD1-CG1 3.86Å; L300-V317 HydrophobicContact CD1-CG2 4.2Å; F302-V317 HydrophobicContact CE2-CG2 4.44Å; V317-V319 HydrophobicContact CG1-CG2 4.17Å; V317-M349 CarbonylContact O-C 3.54Å; V317-M349 WeakPolarHBondContact O-CA 3.41Å; V317-Y350 PolarHBondContact N-O 3.06Å; V317-Y350 PolarHBondContact O-N 3.24Å; V317-F369 HydrophobicContact CB-CD1 4.32Å; V317-F369 HydrophobicContact CB-CE1 4.22Å; V317-F369 HydrophobicContact CG2-CD1 3.78Å; V317-F369 HydrophobicContact CG2-CD2 4.01Å; V317-F369 HydrophobicContact CG2-CE1 3.64Å; V317-F369 HydrophobicContact CG2-CE2 3.87Å; V317-F369 HydrophobicContact CG2-CG 3.97Å; V317-F369 HydrophobicContact CG2-CZ 3.69Å; V317-L372 HydrophobicContact CB-CD1 4.18Å; V317-L372 HydrophobicContact CG1-CD1 4.12Å; V317-P398 HydrophobicContact CG1-CB 4.49Å; V317-R399 CarbonylContact C-O 3.54Å; V317-R399 VanDerWaalsContact CA-O 3.29Å; V317-R399 WeakPolarHBondContact CA-O 3.35Å; V317-L400 HydrophobicContact CG2-CD1 3.87Å |
| 318 | E | 95.7 | Very high | 95.2 | Very high | 30 Ų | 30 | 42 Ų | 42 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 147.4 | 162.9 | -170.2 | -170.1 | -148.9 | 0 | 0 | 109.3 | V320 K348 M349 P398 R399 H401 | E318-V320 HydrophobicContact CG-CG1 3.87Å; E318-V320 WeakPolarHBondContact OE2-CG1 3.28Å; E318-K348 WeakPolarHBondContact CA-O 3.46Å; E318-M349 HydrophobicContact CG-CE 4.27Å; E318-M349 HydrophobicContact CG-CG 4.42Å; E318-P398 WeakPolarHBondContact O-CA 3.42Å; E318-R399 HydrophobicContact CB-CB 4.46Å; E318-R399 PolarHBondContact N-O 2.84Å; E318-R399 PolarHBondContact O-N 2.98Å; E318-R399 WeakPolarHBondContact OE2-CD 3.18Å; E318-R399 IonicContact OE2-CZ 3.98Å; E318-R399 IonicContact OE2-NE 3.4Å; E318-R399 IonicContact OE2-NH1 3.93Å; E318-R399 PolarHBondContact OE2-NH1 3.01Å; E318-H401 WeakPolarHBondContact CB-NE2 3.49Å; E318-H401 IonicContact OE2-NE2 2.79Å |
| 319 | V | 96.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 108.1 | 168.9 | -178.5 | 0 | 0 | 0 | 0 | 109.7 | V317 K348 I388 L390 Y396 F429 | V317-V319 HydrophobicContact CG1-CG2 4.17Å; V319-K348 PolarHBondContact N-O 3.34Å; V319-I388 HydrophobicContact CB-CD1 4.4Å; V319-I388 HydrophobicContact CB-CG2 4.12Å; V319-I388 HydrophobicContact CG2-CD1 3.73Å; V319-I388 HydrophobicContact CG2-CG2 4.32Å; V319-L390 HydrophobicContact CB-CD2 4.33Å; V319-L390 HydrophobicContact CG1-CD1 4.44Å; V319-L390 HydrophobicContact CG1-CD2 3.82Å; V319-Y396 HydrophobicContact CG1-CD1 3.87Å; V319-Y396 HydrophobicContact CG1-CG 3.96Å; V319-F429 HydrophobicContact CG1-CE1 4.41Å; V319-F429 HydrophobicContact CG1-CZ 4.07Å |
| 320 | V | 95.1 | Very high | 95.5 | Very high | 39 Ų | 39 | 44 Ų | 44 | 24% | 0.236 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 157.2 | 179.7 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | E318 A322 Y396 Q397 R399 | E318-V320 HydrophobicContact CG-CG1 3.87Å; E318-V320 WeakPolarHBondContact OE2-CG1 3.28Å; V320-A322 PolarHBondContact O-N 2.98Å; V320-Y396 CarbonylContact O-C 3.6Å; V320-Y396 VanDerWaalsContact O-CA 3.27Å; V320-Y396 WeakPolarHBondContact O-CA 3.36Å; V320-Y396 WeakPolarHBondContact O-CD1 3.27Å; V320-Q397 HydrophobicContact CG2-CB 4.11Å; V320-Q397 PolarHBondContact N-O 3.11Å; V320-Q397 VanDerWaalsContact N-O 3.1Å; V320-Q397 PolarHBondContact O-N 3.45Å; V320-R399 HydrophobicContact CG2-CG 4.32Å |
| 321 | L | 95 | Very high | 95.4 | Very high | 43 Ų | 43 | 42.7 Ų | 42.7 | 23% | 0.225 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 131.3 | 168 | -76.1 | 167.2 | 0 | 0 | 0 | 109.7 | M344 H394 Y396 | L321-M344 HydrophobicContact CD1-SD 4.07Å; L321-M344 HydrophobicContact CD2-SD 4.21Å; L321-M344 HydrophobicContact CG-SD 4.03Å; L321-H394 HydrophobicContact CD2-CB 3.91Å; L321-Y396 HydrophobicContact CD2-CD1 4.08Å; L321-Y396 HydrophobicContact CD2-CE1 3.45Å; L321-Y396 VanDerWaalsContact CD2-CE1 3.45Å; L321-Y396 HydrophobicContact CG-CD1 4.42Å; L321-Y396 HydrophobicContact CG-CE1 3.87Å |
| 322 | A | 95.8 | Very high | 95.5 | Very high | 40 Ų | 40 | 45 Ų | 45 | 33% | 0.331 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -27.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V320 K395 Q397 | V320-A322 PolarHBondContact O-N 2.98Å; A322-K395 HydrophobicContact CB-CB 4.36Å; A322-K395 HydrophobicContact CB-CD 4.03Å; A322-K395 HydrophobicContact CB-CG 4.01Å; A322-K395 PolarHBondContact N-O 2.73Å; A322-Q397 HydrophobicContact CB-CB 4.12Å |
| 323 | D | 93.7 | Very high | 95.6 | Very high | 30 Ų | 30 | 46.9 Ų | 46.9 | 16% | 0.16 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 159 | 174.8 | 62.8 | 73.3 | 0 | 0 | 0 | 110.4 | N325 W327 K395 | D323-N325 VanDerWaalsContact CG-ND2 3.35Å; D323-N325 PolarHBondContact O-N 2.83Å; D323-N325 VanDerWaalsContact OD1-CB 3.28Å; D323-N325 WeakPolarHBondContact OD1-CB 3.43Å; D323-N325 PolarHBondContact OD1-N 3.28Å; D323-N325 VanDerWaalsContact OD1-N 3.13Å; D323-N325 PolarHBondContact OD1-ND2 3.26Å; D323-W327 PolarHBondContact OD1-NE1 3.09Å; D323-W327 WeakPolarHBondContact OD2-CZ2 3.28Å; D323-W327 PolarHBondContact OD2-NE1 3Å; D323-K395 WeakPolarHBondContact OD2-CD 3.25Å |
| 324 | P | 93.5 | Very high | 95.7 | Very high | 95 Ų | 95 | 47.6 Ų | 47.6 | 62% | 0.617 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 28.3 | -176.8 | 37.6 | -37.7 | 0 | 0 | 0 | 112.8 | K339 A340 | P324-K339 CarbonylContact O-C 3.49Å; P324-K339 WeakPolarHBondContact O-CA 3.25Å; P324-A340 WeakPolarHBondContact O-CB 3.22Å; P324-A340 PolarHBondContact O-N 3.08Å |
| 325 | N | 94.8 | Very high | 95.8 | Very high | 49 Ų | 49 | 48.6 Ų | 48.6 | 26% | 0.262 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 145.1 | 179.9 | -49.3 | -81.1 | 0 | 0 | 0 | 111.8 | D323 W327 T336 G338 H394 | D323-N325 VanDerWaalsContact CG-ND2 3.35Å; D323-N325 PolarHBondContact O-N 2.83Å; D323-N325 VanDerWaalsContact OD1-CB 3.28Å; D323-N325 WeakPolarHBondContact OD1-CB 3.43Å; D323-N325 PolarHBondContact OD1-N 3.28Å; D323-N325 VanDerWaalsContact OD1-N 3.13Å; D323-N325 PolarHBondContact OD1-ND2 3.26Å; N325-W327 VanDerWaalsContact O-CD1 3.28Å; N325-T336 HydrophobicContact CB-CG2 3.56Å; N325-G338 WeakPolarHBondContact CA-O 3.41Å; N325-H394 PolarHBondContact O-CD2 3.17Å |
| 326 | H | 95.3 | Very high | 95.8 | Very high | 68 Ų | 68 | 51.9 Ų | 51.9 | 32% | 0.315 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 132.8 | 158.9 | -172.5 | -170.2 | 0 | 0 | 0 | 107.7 | C337 G338 H394 | H326-C337 VanDerWaalsContact C-SG 3.56Å; H326-C337 PolarHBondContact O-N 3.02Å; H326-C337 PolarHBondContact O-SG 3.24Å; H326-G338 PolarHBondContact N-O 2.83Å; H326-H394 AromaticContact CD2-CE1 3.82Å |
| 327 | W | 96.6 | Very high | 95.6 | Very high | 35 Ų | 35 | 53.5 Ų | 53.5 | 13% | 0.133 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 155.6 | -173.8 | -68.8 | 82 | 0 | 0 | 0 | 112.3 | D323 N325 W334 V335 T336 L393 K395 I430 | D323-W327 PolarHBondContact OD1-NE1 3.09Å; D323-W327 WeakPolarHBondContact OD2-CZ2 3.28Å; D323-W327 PolarHBondContact OD2-NE1 3Å; N325-W327 VanDerWaalsContact O-CD1 3.28Å; W327-W334 HydrophobicContact CB-CE3 3.86Å; W327-W334 HydrophobicContact CB-CZ3 4.02Å; W327-W334 HydrophobicContact CE3-CB 3.92Å; W327-W334 HydrophobicContact CZ3-CB 4.14Å; W327-V335 CarbonylContact C-O 3.57Å; W327-V335 WeakPolarHBondContact CA-O 3.27Å; W327-T336 HydrophobicContact CD2-CG2 4.05Å; W327-T336 HydrophobicContact CE3-CG2 4.05Å; W327-T336 HydrophobicContact CH2-CG2 3.95Å; W327-T336 HydrophobicContact CZ2-CG2 3.93Å; W327-T336 HydrophobicContact CZ3-CG2 4.01Å; W327-L393 WeakPolarHBondContact CB-O 3.36Å; W327-L393 PolarHBondContact N-O 2.88Å; W327-L393 WeakPolarHBondContact O-CB 3.36Å; W327-K395 HydrophobicContact CZ2-CD 4.5Å; W327-I430 HydrophobicContact CD2-CD1 4.47Å |
| 328 | R | 96.7 | Very high | 95.3 | Very high | 103 Ų | 103 | 55.2 Ų | 55.2 | 39% | 0.389 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 148.2 | 169 | 66.5 | -177 | -167 | -123.7 | 2.3 | 110.6 | Q330 V335 C337 | R328-Q330 HydrophobicContact CG-CG 4.28Å; R328-Q330 VanDerWaalsContact CZ-OE1 3.31Å; R328-V335 HydrophobicContact CG-CG2 3.62Å; R328-V335 PolarHBondContact N-O 3.44Å; R328-V335 PolarHBondContact O-N 3.04Å; R328-C337 HydrophobicContact CB-CB 4.47Å; R328-C337 HydrophobicContact CG-CB 3.89Å |
| 329 | F | 97.6 | Very high | 94.9 | Very high | 46 Ų | 46 | 62.9 Ų | 62.9 | 20% | 0.202 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 120.5 | 174.8 | -164.8 | -110.1 | 0 | 0 | 0 | 109.7 | K333 W334 Q436 N437 | F329-K333 WeakPolarHBondContact CA-O 3.43Å; F329-K333 VanDerWaalsContact CD2-C 3.45Å; F329-W334 HydrophobicContact CB-CD2 4.2Å; F329-W334 HydrophobicContact CB-CE3 4.16Å; F329-W334 HydrophobicContact CB-CH2 4.31Å; F329-W334 HydrophobicContact CB-CZ2 4.32Å; F329-W334 HydrophobicContact CB-CZ3 4.23Å; F329-W334 AromaticContact CD2-CD1 3.64Å; F329-W334 AromaticContact CD2-CD2 3.85Å; F329-W334 HydrophobicContact CD2-CD2 3.85Å; F329-W334 AromaticContact CD2-CE2 3.79Å; F329-W334 AromaticContact CD2-CG 3.8Å; F329-W334 HydrophobicContact CD2-CG 3.8Å; F329-W334 HydrophobicContact CD2-CZ2 4.5Å; F329-W334 AromaticContact CD2-NE1 3.61Å; F329-W334 AromaticContact CE2-CD1 3.93Å; F329-W334 HydrophobicContact CE2-CG 4.45Å; F329-Q436 HydrophobicContact CB-CB 3.61Å; F329-Q436 HydrophobicContact CB-CG 4.12Å; F329-Q436 HydrophobicContact CD1-CB 3.8Å; F329-Q436 HydrophobicContact CD2-CB 4.38Å; F329-Q436 VanDerWaalsContact CE1-O 3.26Å; F329-Q436 WeakPolarHBondContact CE1-O 3.47Å; F329-Q436 HydrophobicContact CG-CB 3.7Å; F329-N437 HydrophobicContact CE2-CB 4.11Å; F329-N437 HydrophobicContact CZ-CB 3.91Å |
| 330 | Q | 95.9 | Very high | 94.2 | Very high | 100 Ų | 100 | 63.9 Ų | 63.9 | 47% | 0.467 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 128.4 | -178.8 | -74.3 | -172.3 | -27.7 | 0 | 0 | 110.7 | R328 K333 | R328-Q330 HydrophobicContact CG-CG 4.28Å; R328-Q330 VanDerWaalsContact CZ-OE1 3.31Å; Q330-K333 PolarHBondContact N-O 3.38Å; Q330-K333 WeakPolarHBondContact O-CG 3.42Å; Q330-K333 PolarHBondContact O-N 2.86Å |
| 331 | G | 94.2 | Very high | 93.3 | Very high | 82 Ų | 82 | 65.8 Ų | 65.8 | 85% | 0.845 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 42.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | K333 | G331-K333 VanDerWaalsContact C-N 3.28Å; G331-K333 PolarHBondContact O-N 2.97Å |
| 332 | G | 94.4 | Very high | 92.1 | Very high | 62 Ų | 62 | 70.1 Ų | 70.1 | 64% | 0.639 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 7.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 333 | K | 96.1 | Very high | 90.8 | Very high | 128 Ų | 128 | 72.5 Ų | 72.5 | 56% | 0.557 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 149.2 | -176.8 | 57.1 | 178.4 | 177.2 | -173.4 | 0 | 112.9 | F329 Q330 G331 V335 | F329-K333 WeakPolarHBondContact CA-O 3.43Å; F329-K333 VanDerWaalsContact CD2-C 3.45Å; Q330-K333 PolarHBondContact N-O 3.38Å; Q330-K333 WeakPolarHBondContact O-CG 3.42Å; Q330-K333 PolarHBondContact O-N 2.86Å; G331-K333 VanDerWaalsContact C-N 3.28Å; G331-K333 PolarHBondContact O-N 2.97Å; K333-V335 HydrophobicContact CD-CG1 4.17Å; K333-V335 HydrophobicContact CG-CG1 4.09Å |
| 334 | W | 97.3 | Very high | 89.6 | Confident | 15 Ų | 15 | 72 Ų | 72 | 6% | 0.057 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 127 | 168.7 | -75.9 | 102.5 | 0 | 0 | 0 | 110.6 | E286 W327 F329 L393 I430 V432 Q436 | E286-W334 HydrophobicContact CG-CZ2 4.17Å; E286-W334 WeakPolarHBondContact OE1-CZ2 3.49Å; E286-W334 PolarHBondContact OE1-NE1 2.9Å; W327-W334 HydrophobicContact CB-CE3 3.86Å; W327-W334 HydrophobicContact CB-CZ3 4.02Å; W327-W334 HydrophobicContact CE3-CB 3.92Å; W327-W334 HydrophobicContact CZ3-CB 4.14Å; F329-W334 HydrophobicContact CB-CD2 4.2Å; F329-W334 HydrophobicContact CB-CE3 4.16Å; F329-W334 HydrophobicContact CB-CH2 4.31Å; F329-W334 HydrophobicContact CB-CZ2 4.32Å; F329-W334 HydrophobicContact CB-CZ3 4.23Å; F329-W334 AromaticContact CD2-CD1 3.64Å; F329-W334 AromaticContact CD2-CD2 3.85Å; F329-W334 HydrophobicContact CD2-CD2 3.85Å; F329-W334 AromaticContact CD2-CE2 3.79Å; F329-W334 AromaticContact CD2-CG 3.8Å; F329-W334 HydrophobicContact CD2-CG 3.8Å; F329-W334 HydrophobicContact CD2-CZ2 4.5Å; F329-W334 AromaticContact CD2-NE1 3.61Å; F329-W334 AromaticContact CE2-CD1 3.93Å; F329-W334 HydrophobicContact CE2-CG 4.45Å; W334-L393 HydrophobicContact CH2-CD2 3.97Å; W334-L393 HydrophobicContact CZ3-CD2 4.03Å; W334-I430 HydrophobicContact CB-CD1 4.31Å; W334-I430 HydrophobicContact CD2-CD1 3.46Å; W334-I430 VanDerWaalsContact CD2-CD1 3.46Å; W334-I430 HydrophobicContact CE3-CD1 3.8Å; W334-I430 HydrophobicContact CG-CD1 3.71Å; W334-I430 HydrophobicContact CH2-CD1 4.48Å; W334-I430 HydrophobicContact CH2-CG2 3.72Å; W334-I430 HydrophobicContact CZ2-CB 4.39Å; W334-I430 HydrophobicContact CZ2-CD1 4.23Å; W334-I430 HydrophobicContact CZ2-CG2 4.07Å; W334-I430 HydrophobicContact CZ3-CD1 4.29Å; W334-I430 HydrophobicContact CZ3-CG2 3.99Å; W334-V432 HydrophobicContact CH2-CG1 3.77Å; W334-V432 HydrophobicContact CZ2-CG1 4.01Å; W334-Q436 HydrophobicContact CH2-CB 4.22Å; W334-Q436 HydrophobicContact CH2-CG 3.67Å; W334-Q436 HydrophobicContact CZ2-CB 3.81Å; W334-Q436 HydrophobicContact CZ2-CG 3.72Å |
| 335 | V | 96.8 | Very high | 88.4 | Confident | 36 Ų | 36 | 73.4 Ų | 73.4 | 22% | 0.218 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 149.1 | 176.6 | -59.8 | 0 | 0 | 0 | 0 | 110.3 | W327 R328 K333 | W327-V335 CarbonylContact C-O 3.57Å; W327-V335 WeakPolarHBondContact CA-O 3.27Å; R328-V335 HydrophobicContact CG-CG2 3.62Å; R328-V335 PolarHBondContact N-O 3.44Å; R328-V335 PolarHBondContact O-N 3.04Å; K333-V335 HydrophobicContact CD-CG1 4.17Å; K333-V335 HydrophobicContact CG-CG1 4.09Å |
| 336 | T | 96.3 | Very high | 87.7 | Confident | 70 Ų | 70 | 72.6 Ų | 72.6 | 43% | 0.429 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 146 | 174.8 | 54.2 | 0 | 0 | 0 | 0 | 110.6 | N325 W327 | N325-T336 HydrophobicContact CB-CG2 3.56Å; W327-T336 HydrophobicContact CD2-CG2 4.05Å; W327-T336 HydrophobicContact CE3-CG2 4.05Å; W327-T336 HydrophobicContact CH2-CG2 3.95Å; W327-T336 HydrophobicContact CZ2-CG2 3.93Å; W327-T336 HydrophobicContact CZ3-CG2 4.01Å |
| 337 | C | 93.6 | Very high | 87.2 | Confident | 51 Ų | 51 | 71 Ų | 71 | 35% | 0.345 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | -5 | -176.2 | 60.8 | 0 | 0 | 0 | 0 | 115.2 | H326 R328 | H326-C337 VanDerWaalsContact C-SG 3.56Å; H326-C337 PolarHBondContact O-N 3.02Å; H326-C337 PolarHBondContact O-SG 3.24Å; R328-C337 HydrophobicContact CB-CB 4.47Å; R328-C337 HydrophobicContact CG-CB 3.89Å |
| 338 | G | 91.1 | Very high | 86.9 | Confident | 37 Ų | 37 | 72.4 Ų | 72.4 | 38% | 0.381 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.5 | -174.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | N325 H326 | N325-G338 WeakPolarHBondContact CA-O 3.41Å; H326-G338 PolarHBondContact N-O 2.83Å |
| 339 | K | 87.4 | Confident | 86.7 | Confident | 191 Ų | 191 | 71.2 Ų | 71.2 | 83% | 0.83 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 149.9 | 170 | -67.1 | -175.5 | 177.6 | -178.2 | 0 | 110.7 | P324 | P324-K339 CarbonylContact O-C 3.49Å; P324-K339 WeakPolarHBondContact O-CA 3.25Å |
| 340 | A | 81.1 | Confident | 86.6 | Confident | 21 Ų | 21 | 69.1 Ų | 69.1 | 17% | 0.174 | 40% | 0.401 | C | S | . | . | trans | -70 | 146.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | P324 N342 H394 | P324-A340 WeakPolarHBondContact O-CB 3.22Å; P324-A340 PolarHBondContact O-N 3.08Å; A340-N342 PolarHBondContact O-N 3Å; A340-H394 VanDerWaalsContact CA-NE2 3.32Å; A340-H394 WeakPolarHBondContact CA-NE2 3.21Å; A340-H394 WeakPolarHBondContact CB-CD2 3.49Å; A340-H394 VanDerWaalsContact CB-NE2 3.31Å; A340-H394 WeakPolarHBondContact CB-NE2 3.32Å | ||
| 341 | D | 76.1 | Confident | 86.5 | Confident | 79 Ų | 79 | 68.1 Ų | 68.1 | 42% | 0.422 | 40% | 0.402 | S | S | . | . | trans | -79.6 | 103.2 | 165.1 | 175.8 | 18.1 | 0 | 0 | 0 | 109.3 | N343 K378 Q391 | D341-N343 PolarHBondContact O-N 3.24Å; D341-N343 VanDerWaalsContact O-N 3.17Å; D341-N343 WeakPolarHBondContact OD1-CB 3.43Å; D341-N343 PolarHBondContact OD1-N 2.93Å; D341-K378 IonicContact OD2-NZ 3.99Å; D341-Q391 PolarHBondContact O-NE2 3.03Å | ||
| 342 | N | 69.4 | Low | 86.6 | Confident | 134 Ų | 134 | 64.7 Ų | 64.7 | 72% | 0.717 | 36% | 0.364 | S | S | * | . | trans | -68 | -8.6 | 179.5 | -158.8 | 16.5 | 0 | 0 | 0 | 113.1 | A340 M344 | A340-N342 PolarHBondContact O-N 3Å; N342-M344 PolarHBondContact O-N 3.16Å | ||
| 343 | N | 68.4 | Low | 86.6 | Confident | 91 Ų | 91 | 65.3 Ų | 65.3 | 49% | 0.487 | 36% | 0.357 | S | S | . | . | trans | -76.5 | 52.6 | 174 | -160.9 | 6 | 0 | 0 | 0 | 112 | D341 Q345 | D341-N343 PolarHBondContact O-N 3.24Å; D341-N343 VanDerWaalsContact O-N 3.17Å; D341-N343 WeakPolarHBondContact OD1-CB 3.43Å; D341-N343 PolarHBondContact OD1-N 2.93Å; N343-Q345 VanDerWaalsContact C-N 3.31Å; N343-Q345 PolarHBondContact O-N 2.89Å; N343-Q345 WeakPolarHBondContact OD1-CG 2.99Å; N343-Q345 PolarHBondContact OD1-NE2 2.91Å | ||
| 344 | M | 68.5 | Low | 86.6 | Confident | 19 Ų | 19 | 62.4 Ų | 62.4 | 9% | 0.094 | 35% | 0.345 | C | S | . | . | trans | -74.2 | 84.1 | 169.9 | -80.1 | -167.3 | 64.2 | 0 | 0 | 110.5 | L321 N342 K348 V389 L390 Q391 Y396 | L321-M344 HydrophobicContact CD1-SD 4.07Å; L321-M344 HydrophobicContact CD2-SD 4.21Å; L321-M344 HydrophobicContact CG-SD 4.03Å; N342-M344 PolarHBondContact O-N 3.16Å; M344-K348 WeakPolarHBondContact O-CE 3.42Å; M344-K348 PolarHBondContact O-NZ 2.83Å; M344-V389 VanDerWaalsContact CE-O 3.26Å; M344-V389 WeakPolarHBondContact CE-O 3.42Å; M344-L390 HydrophobicContact CE-CD2 4.23Å; M344-Q391 HydrophobicContact CG-CG 3.94Å; M344-Q391 VanDerWaalsContact CG-NE2 3.31Å; M344-Q391 HydrophobicContact SD-CG 4.28Å; M344-Y396 HydrophobicContact CE-CE1 3.82Å; M344-Y396 WeakPolarHBondContact CE-OH 3.44Å; M344-Y396 HydrophobicContact SD-CE1 3.77Å; M344-Y396 PolarHBondContact SD-OH 3.32Å | ||
| 345 | Q | 69.3 | Low | 86.5 | Confident | 125 Ų | 125 | 62.9 Ų | 62.9 | 58% | 0.584 | 35% | 0.351 | S | S | * | . | trans | -78.3 | 137.1 | 164.8 | -59.7 | 174.8 | -2.1 | 0 | 0 | 110 | N343 | N343-Q345 VanDerWaalsContact C-N 3.31Å; N343-Q345 PolarHBondContact O-N 2.89Å; N343-Q345 WeakPolarHBondContact OD1-CG 2.99Å; N343-Q345 PolarHBondContact OD1-NE2 2.91Å | ||
| 346 | G | 79.5 | Confident | 86.4 | Confident | 31 Ų | 31 | 64.6 Ų | 64.6 | 32% | 0.32 | 36% | 0.362 | S | S | . | . | S | Bend | trans | 126.3 | 166.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 347 | N | 85.4 | Confident | 86.5 | Confident | 35 Ų | 35 | 63.1 Ų | 63.1 | 19% | 0.187 | 35% | 0.352 | C | S | . | . | trans | -65.9 | 131.4 | -179.3 | -178.7 | 26.9 | 0 | 0 | 0 | 112.2 | M349 M387 I388 V389 | N347-M349 PolarHBondContact ND2-O 3.27Å; N347-M349 PolarHBondContact OD1-N 3.47Å; N347-M349 PolarHBondContact OD1-O 2.76Å; N347-M349 VanDerWaalsContact OD1-O 3.13Å; N347-M387 PolarHBondContact ND2-O 2.9Å; N347-I388 WeakPolarHBondContact O-CA 3.41Å; N347-V389 PolarHBondContact O-N 3.12Å | ||
| 348 | K | 90.1 | Very high | 86.6 | Confident | 65 Ų | 65 | 62.1 Ų | 62.1 | 28% | 0.283 | 34% | 0.344 | S | S | . | . | trans | -111.7 | -2.9 | 178 | -64.5 | 172.3 | -172.1 | 166.5 | 0 | 113.5 | E318 V319 M344 | E318-K348 WeakPolarHBondContact CA-O 3.46Å; V319-K348 PolarHBondContact N-O 3.34Å; M344-K348 WeakPolarHBondContact O-CE 3.42Å; M344-K348 PolarHBondContact O-NZ 2.83Å | ||
| 349 | M | 92.3 | Very high | 86.9 | Confident | 77 Ų | 77 | 60.4 Ų | 60.4 | 38% | 0.379 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 145.9 | -170.7 | -59.3 | 80 | 179.1 | 0 | 0 | 111.5 | V317 E318 N347 | V317-M349 CarbonylContact O-C 3.54Å; V317-M349 WeakPolarHBondContact O-CA 3.41Å; E318-M349 HydrophobicContact CG-CE 4.27Å; E318-M349 HydrophobicContact CG-CG 4.42Å; N347-M349 PolarHBondContact ND2-O 3.27Å; N347-M349 PolarHBondContact OD1-N 3.47Å; N347-M349 PolarHBondContact OD1-O 2.76Å; N347-M349 VanDerWaalsContact OD1-O 3.13Å |
| 350 | Y | 95 | Very high | 87.3 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 1% | 0.012 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 112 | 170.4 | 178.4 | -82 | 0 | 0 | 0 | 108.7 | F316 V317 F369 K371 L372 Q386 | F316-Y350 CarbonylContact C-O 3.55Å; F316-Y350 VanDerWaalsContact CA-O 3.24Å; F316-Y350 WeakPolarHBondContact CA-O 3.4Å; F316-Y350 VanDerWaalsContact CB-O 3.28Å; F316-Y350 WeakPolarHBondContact CB-O 3.47Å; V317-Y350 PolarHBondContact N-O 3.06Å; V317-Y350 PolarHBondContact O-N 3.24Å; Y350-F369 AromaticContact CD1-CD1 3.5Å; Y350-F369 HydrophobicContact CD1-CD1 3.5Å; Y350-F369 AromaticContact CD1-CE1 3.84Å; Y350-F369 HydrophobicContact CD1-CE1 3.84Å; Y350-F369 AromaticContact CE1-CD1 3.72Å; Y350-F369 HydrophobicContact CE1-CD1 3.72Å; Y350-F369 HydrophobicContact CE1-CE1 4.19Å; Y350-K371 WeakPolarHBondContact OH-CB 3.46Å; Y350-L372 HydrophobicContact CD1-CB 4.2Å; Y350-L372 HydrophobicContact CD1-CD1 4.02Å; Y350-L372 HydrophobicContact CD1-CG 4.2Å; Y350-L372 HydrophobicContact CD2-CB 3.86Å; Y350-L372 HydrophobicContact CD2-CD1 4.32Å; Y350-L372 HydrophobicContact CD2-CG 3.7Å; Y350-L372 HydrophobicContact CE1-CB 4.29Å; Y350-L372 HydrophobicContact CE2-CB 3.96Å; Y350-L372 HydrophobicContact CE2-CG 4.32Å; Y350-L372 HydrophobicContact CG-CB 4Å; Y350-L372 HydrophobicContact CG-CD1 3.74Å; Y350-L372 HydrophobicContact CG-CG 3.64Å; Y350-Q386 HydrophobicContact CD2-CB 4.48Å; Y350-Q386 WeakPolarHBondContact CD2-O 3.41Å; Y350-Q386 HydrophobicContact CE2-CB 3.89Å; Y350-Q386 HydrophobicContact CE2-CG 4.24Å |
| 351 | V | 94.8 | Very high | 88.1 | Confident | 79 Ų | 79 | 54.4 Ų | 54.4 | 48% | 0.479 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 132.4 | 173.8 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | F316 | F316-V351 HydrophobicContact CB-CB 4.41Å; F316-V351 HydrophobicContact CB-CG2 4.17Å |
| 352 | H | 96.1 | Very high | 89.2 | Confident | 10 Ų | 10 | 50.7 Ų | 50.7 | 5% | 0.046 | 28% | 0.282 | C | S | . | . | trans | -67 | 131.1 | 177.4 | -169.2 | -82.5 | 0 | 0 | 0 | 109.6 | V315 E354 S355 W362 S368 F369 | V315-H352 WeakPolarHBondContact O-CB 3.1Å; V315-H352 PolarHBondContact O-N 3.08Å; H352-E354 WeakPolarHBondContact CE1-CG 3.22Å; H352-E354 IonicContact CE1-OE1 3.62Å; H352-E354 PolarHBondContact CE1-OE1 2.73Å; H352-E354 IonicContact CE1-OE2 3.21Å; H352-E354 PolarHBondContact CE1-OE2 3.24Å; H352-E354 PolarHBondContact ND1-N 2.97Å; H352-E354 PolarHBondContact O-N 3.49Å; H352-S355 VanDerWaalsContact O-CB 3.25Å; H352-S355 WeakPolarHBondContact O-CB 3.2Å; H352-S355 PolarHBondContact O-N 3.43Å; H352-S355 PolarHBondContact O-OG 3.26Å; H352-W362 HydrophobicContact CB-CH2 4.05Å; H352-W362 HydrophobicContact CB-CZ3 4.43Å; H352-W362 AromaticContact CG-CZ3 4Å; H352-W362 AromaticContact ND1-CH2 3.58Å; H352-W362 AromaticContact ND1-CZ3 3.52Å; H352-S368 PolarHBondContact NE2-N 3.26Å; H352-S368 PolarHBondContact NE2-O 3.16Å; H352-F369 HydrophobicContact CB-CE1 3.85Å; H352-F369 HydrophobicContact CB-CZ 4Å; H352-F369 AromaticContact CD2-CE1 3.88Å; H352-F369 AromaticContact CD2-CZ 3.86Å | ||
| 353 | P | 95.1 | Very high | 90.5 | Very high | 75 Ų | 75 | 46.6 Ų | 46.6 | 49% | 0.487 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -3.1 | -169.1 | 28.3 | -37.8 | 0 | 0 | 0 | 115.2 | ||
| 354 | E | 95.6 | Very high | 91.9 | Very high | 67 Ų | 67 | 49.7 Ų | 49.7 | 31% | 0.313 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -0.4 | 172.5 | -60.6 | 175.2 | 173.7 | 0 | 0 | 112.5 | H352 P356 N357 H361 W362 | H352-E354 WeakPolarHBondContact CE1-CG 3.22Å; H352-E354 IonicContact CE1-OE1 3.62Å; H352-E354 PolarHBondContact CE1-OE1 2.73Å; H352-E354 IonicContact CE1-OE2 3.21Å; H352-E354 PolarHBondContact CE1-OE2 3.24Å; H352-E354 PolarHBondContact ND1-N 2.97Å; H352-E354 PolarHBondContact O-N 3.49Å; E354-P356 CarbonylContact O-C 3.54Å; E354-N357 WeakPolarHBondContact O-CB 3.21Å; E354-N357 PolarHBondContact O-ND2 3.21Å; E354-H361 WeakPolarHBondContact CB-NE2 3.39Å; E354-H361 VanDerWaalsContact CG-NE2 3.35Å; E354-H361 WeakPolarHBondContact CG-NE2 3.14Å; E354-H361 IonicContact OE1-NE2 3.49Å; E354-H361 PolarHBondContact OE1-NE2 2.88Å; E354-H361 IonicContact OE2-CD2 3.79Å; E354-H361 IonicContact OE2-CE1 3.74Å; E354-H361 CovalentContact OE2-NE2 1.77Å; E354-H361 IonicContact OE2-NE2 1.77Å; E354-H361 PolarHBondContact OE2-NE2 3.25Å; E354-W362 HydrophobicContact CB-CH2 3.92Å; E354-W362 HydrophobicContact CB-CZ3 4.18Å |
| 355 | S | 94.7 | Very high | 93.2 | Very high | 25 Ų | 25 | 54.4 Ų | 54.4 | 18% | 0.175 | 29% | 0.286 | C | S | . | . | trans | -80.9 | 146.6 | 177.6 | -51.4 | 0 | 0 | 0 | 0 | 112.8 | V315 H352 W362 | V315-S355 PolarHBondContact N-OG 3.45Å; V315-S355 VanDerWaalsContact N-OG 3.16Å; V315-S355 PolarHBondContact O-OG 2.63Å; H352-S355 VanDerWaalsContact O-CB 3.25Å; H352-S355 WeakPolarHBondContact O-CB 3.2Å; H352-S355 PolarHBondContact O-N 3.43Å; H352-S355 PolarHBondContact O-OG 3.26Å; S355-W362 WeakPolarHBondContact OG-CH2 3.42Å; S355-W362 WeakPolarHBondContact OG-CZ2 3.36Å | ||
| 356 | P | 95.6 | Very high | 94.5 | Very high | 72 Ų | 72 | 52.2 Ų | 52.2 | 47% | 0.468 | 28% | 0.275 | S | S | . | . | S | Bend | cis | -74 | 143.3 | -10.2 | 29.5 | -34.3 | 0 | 0 | 0 | 111.7 | Y313 N314 E354 V405 | Y313-P356 WeakPolarHBondContact O-CA 3.46Å; N314-P356 WeakPolarHBondContact OD1-CA 3.16Å; N314-P356 WeakPolarHBondContact OD1-CB 3.48Å; E354-P356 CarbonylContact O-C 3.54Å; P356-V405 HydrophobicContact CB-CG2 4.15Å |
| 357 | N | 97.2 | Very high | 95.4 | Very high | 39 Ų | 39 | 51 Ų | 51 | 21% | 0.209 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 159.8 | 176.1 | -132.1 | -63.5 | 0 | 0 | 0 | 113.8 | H312 Y313 E354 H361 W362 | H312-N357 CarbonylContact C-O 3.44Å; H312-N357 WeakPolarHBondContact CA-O 3.4Å; Y313-N357 PolarHBondContact N-O 3.46Å; Y313-N357 PolarHBondContact O-N 3.16Å; E354-N357 WeakPolarHBondContact O-CB 3.21Å; E354-N357 PolarHBondContact O-ND2 3.21Å; N357-H361 HydrophobicContact CB-CB 4Å; N357-H361 VanDerWaalsContact CG-CG 3.42Å; N357-H361 WeakPolarHBondContact OD1-CB 3.44Å; N357-H361 VanDerWaalsContact OD1-CG 3.3Å; N357-W362 HydrophobicContact CB-CD2 4.41Å; N357-W362 HydrophobicContact CB-CZ2 3.83Å; N357-W362 PolarHBondContact O-NE1 2.89Å |
| 358 | T | 96.4 | Very high | 95.9 | Very high | 30 Ų | 30 | 52 Ų | 52 | 18% | 0.184 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 149.5 | 177.3 | 61.4 | 0 | 0 | 0 | 0 | 111.9 | A311 S360 H361 W362 | A311-T358 CarbonylContact O-C 3.55Å; A311-T358 VanDerWaalsContact O-CA 3.28Å; A311-T358 WeakPolarHBondContact O-CA 3.25Å; T358-S360 PolarHBondContact O-N 3.45Å; T358-S360 PolarHBondContact OG1-OG 2.91Å; T358-H361 WeakPolarHBondContact O-CA 3.34Å; T358-H361 VanDerWaalsContact O-CB 3.29Å; T358-H361 WeakPolarHBondContact O-CB 3.33Å; T358-H361 PolarHBondContact O-N 3.04Å; T358-H361 PolarHBondContact OG1-N 3.15Å; T358-W362 VanDerWaalsContact O-CD1 3.29Å; T358-W362 PolarHBondContact O-N 2.87Å |
| 359 | G | 96.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57 | -31.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112.5 | N308 A311 H361 W362 M363 | N308-G359 WeakPolarHBondContact O-CA 3.38Å; A311-G359 PolarHBondContact O-N 3.43Å; G359-H361 PolarHBondContact O-N 3.22Å; G359-W362 PolarHBondContact O-N 2.8Å; G359-M363 WeakPolarHBondContact O-CE 3.47Å; G359-M363 VanDerWaalsContact O-CG 3.31Å; G359-M363 WeakPolarHBondContact O-CG 3.39Å; G359-M363 PolarHBondContact O-N 2.86Å; G359-M363 VanDerWaalsContact O-N 3.1Å |
| 360 | S | 97.5 | Very high | 96.4 | Very high | 40 Ų | 40 | 46.3 Ų | 46.3 | 28% | 0.28 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.4 | -32.6 | 172 | 82.8 | 0 | 0 | 0 | 0 | 113.2 | P309 T358 R364 | P309-S360 WeakPolarHBondContact O-CB 3.38Å; P309-S360 PolarHBondContact O-N 2.85Å; T358-S360 PolarHBondContact O-N 3.45Å; T358-S360 PolarHBondContact OG1-OG 2.91Å; S360-R364 VanDerWaalsContact O-CG 3.32Å; S360-R364 WeakPolarHBondContact O-CG 3.43Å; S360-R364 PolarHBondContact O-N 2.89Å; S360-R364 PolarHBondContact O-NH1 3.45Å; S360-R364 PolarHBondContact OG-NH1 3.48Å |
| 361 | H | 97.9 | Very high | 96.4 | Very high | 47 Ų | 47 | 51.9 Ų | 51.9 | 22% | 0.218 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -73 | -49.1 | 177.8 | -176.7 | 85.7 | 0 | 0 | 0 | 111.7 | E354 N357 T358 G359 M363 R364 | E354-H361 WeakPolarHBondContact CB-NE2 3.39Å; E354-H361 VanDerWaalsContact CG-NE2 3.35Å; E354-H361 WeakPolarHBondContact CG-NE2 3.14Å; E354-H361 IonicContact OE1-NE2 3.49Å; E354-H361 PolarHBondContact OE1-NE2 2.88Å; E354-H361 IonicContact OE2-CD2 3.79Å; E354-H361 IonicContact OE2-CE1 3.74Å; E354-H361 CovalentContact OE2-NE2 1.77Å; E354-H361 IonicContact OE2-NE2 1.77Å; E354-H361 PolarHBondContact OE2-NE2 3.25Å; N357-H361 HydrophobicContact CB-CB 4Å; N357-H361 VanDerWaalsContact CG-CG 3.42Å; N357-H361 WeakPolarHBondContact OD1-CB 3.44Å; N357-H361 VanDerWaalsContact OD1-CG 3.3Å; T358-H361 WeakPolarHBondContact O-CA 3.34Å; T358-H361 VanDerWaalsContact O-CB 3.29Å; T358-H361 WeakPolarHBondContact O-CB 3.33Å; T358-H361 PolarHBondContact O-N 3.04Å; T358-H361 PolarHBondContact OG1-N 3.15Å; G359-H361 PolarHBondContact O-N 3.22Å; H361-M363 PolarHBondContact O-N 2.81Å; H361-R364 VanDerWaalsContact CA-CZ 3.45Å; H361-R364 VanDerWaalsContact CA-NH2 3.29Å; H361-R364 VanDerWaalsContact CB-NH2 3.27Å; H361-R364 PolarHBondContact ND1-NH2 3.15Å; H361-R364 PolarHBondContact O-N 3.2Å; H361-R364 VanDerWaalsContact O-N 3.13Å |
| 362 | W | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.3 | -24 | -179.6 | -60.6 | 122.7 | 0 | 0 | 0 | 114 | L307 Y313 V315 H352 E354 S355 N357 T358 G359 I367 | L307-W362 HydrophobicContact CD1-CB 3.8Å; L307-W362 HydrophobicContact CD1-CG 4.4Å; Y313-W362 PolarHBondContact O-NE1 3.46Å; V315-W362 HydrophobicContact CB-CD2 4.49Å; V315-W362 HydrophobicContact CB-CH2 4.02Å; V315-W362 HydrophobicContact CB-CZ2 3.96Å; V315-W362 HydrophobicContact CB-CZ3 4.33Å; V315-W362 HydrophobicContact CG2-CD2 3.69Å; V315-W362 VanDerWaalsContact CG2-CE2 3.47Å; V315-W362 HydrophobicContact CG2-CE3 4.17Å; V315-W362 HydrophobicContact CG2-CG 4.09Å; V315-W362 HydrophobicContact CG2-CH2 4.17Å; V315-W362 HydrophobicContact CG2-CZ2 3.71Å; V315-W362 HydrophobicContact CG2-CZ3 4.39Å; H352-W362 HydrophobicContact CB-CH2 4.05Å; H352-W362 HydrophobicContact CB-CZ3 4.43Å; H352-W362 AromaticContact CG-CZ3 4Å; H352-W362 AromaticContact ND1-CH2 3.58Å; H352-W362 AromaticContact ND1-CZ3 3.52Å; E354-W362 HydrophobicContact CB-CH2 3.92Å; E354-W362 HydrophobicContact CB-CZ3 4.18Å; S355-W362 WeakPolarHBondContact OG-CH2 3.42Å; S355-W362 WeakPolarHBondContact OG-CZ2 3.36Å; N357-W362 HydrophobicContact CB-CD2 4.41Å; N357-W362 HydrophobicContact CB-CZ2 3.83Å; N357-W362 PolarHBondContact O-NE1 2.89Å; T358-W362 VanDerWaalsContact O-CD1 3.29Å; T358-W362 PolarHBondContact O-N 2.87Å; G359-W362 PolarHBondContact O-N 2.8Å; W362-I367 HydrophobicContact CE3-CG2 3.72Å; W362-I367 HydrophobicContact CZ3-CG2 4.18Å |
| 363 | M | 97.7 | Very high | 96.5 | Very high | 48 Ų | 48 | 50.8 Ų | 50.8 | 24% | 0.236 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -5.8 | 175.8 | -60.1 | -172 | -70.1 | 0 | 0 | 114.2 | I304 G306 L307 P309 G359 H361 | I304-M363 WeakPolarHBondContact O-CA 3.43Å; I304-M363 WeakPolarHBondContact O-CG 3.44Å; G306-M363 PolarHBondContact N-SD 3.02Å; L307-M363 HydrophobicContact CB-CE 4.06Å; L307-M363 HydrophobicContact CB-CG 4.39Å; L307-M363 HydrophobicContact CB-SD 3.96Å; L307-M363 HydrophobicContact CD1-CG 4.44Å; L307-M363 PolarHBondContact N-SD 2.53Å; L307-M363 VanDerWaalsContact N-SD 3.4Å; L307-M363 VanDerWaalsContact O-CE 3.25Å; L307-M363 WeakPolarHBondContact O-CE 3.45Å; P309-M363 HydrophobicContact CG-CE 4.15Å; G359-M363 WeakPolarHBondContact O-CE 3.47Å; G359-M363 VanDerWaalsContact O-CG 3.31Å; G359-M363 WeakPolarHBondContact O-CG 3.39Å; G359-M363 PolarHBondContact O-N 2.86Å; G359-M363 VanDerWaalsContact O-N 3.1Å; H361-M363 PolarHBondContact O-N 2.81Å |
| 364 | R | 97.2 | Very high | 96.6 | Very high | 157 Ų | 157 | 47.2 Ų | 47.2 | 59% | 0.592 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -31.7 | -177.7 | -100.8 | -172.7 | -57.7 | -92 | 12.5 | 114 | S360 H361 | S360-R364 VanDerWaalsContact O-CG 3.32Å; S360-R364 WeakPolarHBondContact O-CG 3.43Å; S360-R364 PolarHBondContact O-N 2.89Å; S360-R364 PolarHBondContact O-NH1 3.45Å; S360-R364 PolarHBondContact OG-NH1 3.48Å; H361-R364 VanDerWaalsContact CA-CZ 3.45Å; H361-R364 VanDerWaalsContact CA-NH2 3.29Å; H361-R364 VanDerWaalsContact CB-NH2 3.27Å; H361-R364 PolarHBondContact ND1-NH2 3.15Å; H361-R364 PolarHBondContact O-N 3.2Å; H361-R364 VanDerWaalsContact O-N 3.13Å |
| 365 | Q | 96.4 | Very high | 96.6 | Very high | 117 Ų | 117 | 44 Ų | 44 | 55% | 0.547 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -157.3 | 178.3 | -175.2 | 66.2 | 176.4 | 7.3 | 0 | 0 | 112.4 | I367 | Q365-I367 PolarHBondContact O-N 2.86Š|
| 366 | E | 96.9 | Very high | 96.5 | Very high | 79 Ų | 79 | 46.2 Ų | 46.2 | 37% | 0.369 | 24% | 0.235 | S | C | . | . | trans | -65.5 | 125.6 | 169.2 | 179.3 | 175.5 | 143 | 0 | 0 | 111.4 | C272 S301 F302 | C272-E366 HydrophobicContact CB-CG 4.17Å; C272-E366 WeakPolarHBondContact CB-OE1 3.43Å; C272-E366 WeakPolarHBondContact CB-OE2 3.41Å; C272-E366 PolarHBondContact SG-OE2 3.33Å; S301-E366 WeakPolarHBondContact CB-OE1 3.31Å; S301-E366 PolarHBondContact OG-OE1 3.42Å; F302-E366 CarbonylContact O-C 3.44Å; F302-E366 WeakPolarHBondContact O-CA 3.41Å | ||
| 367 | I | 97.1 | Very high | 96.2 | Very high | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 132.9 | 174 | 67 | 154.4 | 0 | 0 | 0 | 109.5 | S301 F302 I304 V315 W362 Q365 F369 | S301-I367 CarbonylContact C-O 3.42Å; S301-I367 VanDerWaalsContact CA-O 3.27Å; S301-I367 WeakPolarHBondContact CA-O 3.46Å; S301-I367 PolarHBondContact OG-O 3.23Å; F302-I367 HydrophobicContact CB-CD1 4.5Å; F302-I367 HydrophobicContact CB-CG1 3.98Å; F302-I367 HydrophobicContact CD2-CD1 4.44Å; F302-I367 HydrophobicContact CD2-CG1 4.43Å; F302-I367 PolarHBondContact N-O 3.29Å; F302-I367 WeakPolarHBondContact O-CG1 3.41Å; F302-I367 PolarHBondContact O-N 3.22Å; I304-I367 HydrophobicContact CD1-CD1 3.52Å; I304-I367 HydrophobicContact CD1-CG1 4.09Å; I304-I367 HydrophobicContact CG1-CD1 4.39Å; V315-I367 HydrophobicContact CG1-CD1 3.72Å; W362-I367 HydrophobicContact CE3-CG2 3.72Å; W362-I367 HydrophobicContact CZ3-CG2 4.18Å; Q365-I367 PolarHBondContact O-N 2.86Å; I367-F369 HydrophobicContact CD1-CE2 3.8Å; I367-F369 HydrophobicContact CD1-CZ 4.31Å; I367-F369 HydrophobicContact CG1-CE2 4.48Å |
| 368 | S | 97 | Very high | 95.4 | Very high | 57 Ų | 57 | 49 Ų | 49 | 40% | 0.399 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 129.6 | -174.4 | 69.5 | 0 | 0 | 0 | 0 | 113.7 | S301 H352 G370 | S301-S368 VanDerWaalsContact OG-CB 3.29Å; S301-S368 WeakPolarHBondContact OG-CB 3.42Å; H352-S368 PolarHBondContact NE2-N 3.26Å; H352-S368 PolarHBondContact NE2-O 3.16Å; S368-G370 VanDerWaalsContact C-N 3.25Å; S368-G370 PolarHBondContact O-N 3.49Å |
| 369 | F | 97.5 | Very high | 94.2 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | trans | -92.9 | 26.5 | 174.5 | -67.9 | -91.6 | 0 | 0 | 0 | 111.7 | L300 F302 V315 V317 Y350 H352 I367 K371 L372 L400 | L300-F369 HydrophobicContact CB-CB 4.17Å; L300-F369 HydrophobicContact CB-CD2 4.42Å; L300-F369 WeakPolarHBondContact O-CB 3.29Å; L300-F369 PolarHBondContact O-N 2.91Å; F302-F369 AromaticContact CD2-CD2 3.98Å; F302-F369 HydrophobicContact CD2-CD2 3.98Å; F302-F369 AromaticContact CD2-CE2 3.82Å; F302-F369 HydrophobicContact CD2-CE2 3.82Å; F302-F369 AromaticContact CE2-CD2 3.81Å; F302-F369 HydrophobicContact CE2-CD2 3.81Å; F302-F369 AromaticContact CE2-CE2 3.83Å; F302-F369 HydrophobicContact CE2-CE2 3.83Å; V315-F369 HydrophobicContact CG1-CZ 4.28Å; V317-F369 HydrophobicContact CB-CD1 4.32Å; V317-F369 HydrophobicContact CB-CE1 4.22Å; V317-F369 HydrophobicContact CG2-CD1 3.78Å; V317-F369 HydrophobicContact CG2-CD2 4.01Å; V317-F369 HydrophobicContact CG2-CE1 3.64Å; V317-F369 HydrophobicContact CG2-CE2 3.87Å; V317-F369 HydrophobicContact CG2-CG 3.97Å; V317-F369 HydrophobicContact CG2-CZ 3.69Å; Y350-F369 AromaticContact CD1-CD1 3.5Å; Y350-F369 HydrophobicContact CD1-CD1 3.5Å; Y350-F369 AromaticContact CD1-CE1 3.84Å; Y350-F369 HydrophobicContact CD1-CE1 3.84Å; Y350-F369 AromaticContact CE1-CD1 3.72Å; Y350-F369 HydrophobicContact CE1-CD1 3.72Å; Y350-F369 HydrophobicContact CE1-CE1 4.19Å; H352-F369 HydrophobicContact CB-CE1 3.85Å; H352-F369 HydrophobicContact CB-CZ 4Å; H352-F369 AromaticContact CD2-CE1 3.88Å; H352-F369 AromaticContact CD2-CZ 3.86Å; I367-F369 HydrophobicContact CD1-CE2 3.8Å; I367-F369 HydrophobicContact CD1-CZ 4.31Å; I367-F369 HydrophobicContact CG1-CE2 4.48Å; F369-K371 PolarHBondContact O-N 3.02Å; F369-L372 HydrophobicContact CB-CB 4.33Å; F369-L372 HydrophobicContact CB-CD1 4.34Å; F369-L372 HydrophobicContact CD1-CD1 4.32Å; F369-L372 VanDerWaalsContact O-CB 3.22Å; F369-L372 WeakPolarHBondContact O-CB 3.46Å; F369-L372 PolarHBondContact O-N 3.22Å; F369-L400 HydrophobicContact CE2-CD1 3.64Å; F369-L400 HydrophobicContact CZ-CD1 3.69Å | ||
| 370 | G | 95.8 | Very high | 92.7 | Very high | 22 Ų | 22 | 51.4 Ų | 51.4 | 23% | 0.227 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -11.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | R295 S368 | R295-G370 WeakPolarHBondContact CD-O 3.47Å; R295-G370 PolarHBondContact NE-O 2.91Å; S368-G370 VanDerWaalsContact C-N 3.25Å; S368-G370 PolarHBondContact O-N 3.49Å |
| 371 | K | 95 | Very high | 90.7 | Very high | 120 Ų | 120 | 53.9 Ų | 53.9 | 52% | 0.522 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -18 | 173.8 | -68.1 | 175.1 | -175.8 | 171 | 0 | 113.5 | Y350 F369 K373 | Y350-K371 WeakPolarHBondContact OH-CB 3.46Å; F369-K371 PolarHBondContact O-N 3.02Å; K371-K373 PolarHBondContact O-N 3.26Å |
| 372 | L | 96.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | trans | -61.1 | 129.2 | -177.8 | -172 | 167.1 | 0 | 0 | 0 | 111.3 | R295 M296 V317 Y350 F369 L374 I388 | R295-L372 WeakPolarHBondContact CA-O 3.46Å; M296-L372 HydrophobicContact CE-CB 4.33Å; M296-L372 HydrophobicContact CE-CD1 3.96Å; M296-L372 HydrophobicContact CE-CD2 3.89Å; M296-L372 HydrophobicContact CE-CG 4.29Å; M296-L372 HydrophobicContact CG-CD2 4.34Å; M296-L372 HydrophobicContact SD-CD2 4.07Å; V317-L372 HydrophobicContact CB-CD1 4.18Å; V317-L372 HydrophobicContact CG1-CD1 4.12Å; Y350-L372 HydrophobicContact CD1-CB 4.2Å; Y350-L372 HydrophobicContact CD1-CD1 4.02Å; Y350-L372 HydrophobicContact CD1-CG 4.2Å; Y350-L372 HydrophobicContact CD2-CB 3.86Å; Y350-L372 HydrophobicContact CD2-CD1 4.32Å; Y350-L372 HydrophobicContact CD2-CG 3.7Å; Y350-L372 HydrophobicContact CE1-CB 4.29Å; Y350-L372 HydrophobicContact CE2-CB 3.96Å; Y350-L372 HydrophobicContact CE2-CG 4.32Å; Y350-L372 HydrophobicContact CG-CB 4Å; Y350-L372 HydrophobicContact CG-CD1 3.74Å; Y350-L372 HydrophobicContact CG-CG 3.64Å; F369-L372 HydrophobicContact CB-CB 4.33Å; F369-L372 HydrophobicContact CB-CD1 4.34Å; F369-L372 HydrophobicContact CD1-CD1 4.32Å; F369-L372 VanDerWaalsContact O-CB 3.22Å; F369-L372 WeakPolarHBondContact O-CB 3.46Å; F369-L372 PolarHBondContact O-N 3.22Å; L372-L374 HydrophobicContact CD2-CD2 3.64Å; L372-L374 HydrophobicContact CD2-CG 4.35Å; L372-I388 HydrophobicContact CD1-CD1 4.14Å; L372-I388 HydrophobicContact CD2-CD1 4.22Å; L372-I388 HydrophobicContact CG-CD1 4.38Å | ||
| 373 | K | 95.8 | Very high | 86.9 | Confident | 64 Ų | 64 | 63.9 Ų | 63.9 | 28% | 0.278 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 143.5 | 178 | -74 | 177.4 | 166.6 | -164.3 | 0 | 112.6 | Q292 R294 R295 K371 Q386 M387 I388 | Q292-K373 PolarHBondContact O-NZ 3.19Å; R294-K373 CarbonylContact O-C 3.55Å; R294-K373 WeakPolarHBondContact O-CA 3.42Å; R295-K373 HydrophobicContact CG-CG 4.29Å; K371-K373 PolarHBondContact O-N 3.26Å; K373-Q386 PolarHBondContact N-O 3.25Å; K373-M387 HydrophobicContact CB-CG 4.09Å; K373-M387 HydrophobicContact CD-CE 3.92Å; K373-M387 HydrophobicContact CD-CG 4.34Å; K373-M387 HydrophobicContact CD-SD 4.36Å; K373-M387 WeakPolarHBondContact O-CA 3.45Å; K373-I388 PolarHBondContact O-N 2.95Å |
| 374 | L | 96.8 | Very high | 85.4 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 130 | 171.4 | -53.3 | -179 | 0 | 0 | 0 | 110.3 | M287 I289 G293 R294 M296 L372 I388 L390 F429 | M287-L374 HydrophobicContact CB-CD1 3.87Å; M287-L374 HydrophobicContact CG-CD1 4.35Å; I289-L374 HydrophobicContact CG2-CB 3.77Å; G293-L374 WeakPolarHBondContact CA-O 3.42Å; R294-L374 PolarHBondContact N-O 3.49Å; R294-L374 PolarHBondContact O-N 3.4Å; M296-L374 HydrophobicContact CG-CD1 3.73Å; M296-L374 HydrophobicContact CG-CD2 4.42Å; M296-L374 HydrophobicContact CG-CG 3.9Å; M296-L374 HydrophobicContact SD-CD1 4.2Å; M296-L374 HydrophobicContact SD-CD2 4.39Å; M296-L374 HydrophobicContact SD-CG 4.44Å; L372-L374 HydrophobicContact CD2-CD2 3.64Å; L372-L374 HydrophobicContact CD2-CG 4.35Å; L374-I388 WeakPolarHBondContact CA-O 3.29Å; L374-I388 HydrophobicContact CD2-CB 4.02Å; L374-I388 HydrophobicContact CD2-CG2 4.23Å; L374-L390 HydrophobicContact CB-CD1 4.31Å; L374-L390 HydrophobicContact CD1-CD1 3.89Å; L374-L390 HydrophobicContact CD2-CD1 3.94Å; L374-L390 HydrophobicContact CD2-CG 4.49Å; L374-L390 HydrophobicContact CG-CD1 4.27Å; L374-F429 HydrophobicContact CD1-CE2 3.94Å; L374-F429 HydrophobicContact CD1-CZ 3.72Å |
| 375 | T | 95.2 | Very high | 84 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 154.6 | -179.4 | -176.3 | 0 | 0 | 0 | 0 | 112 | T290 K291 N377 A380 M387 I388 V389 L390 | T290-T375 WeakPolarHBondContact O-CA 3.43Å; T290-T375 WeakPolarHBondContact O-CB 3.28Å; T290-T375 PolarHBondContact O-OG1 2.79Å; K291-T375 PolarHBondContact O-OG1 3.37Å; T375-N377 WeakPolarHBondContact OG1-CB 3.24Å; T375-N377 PolarHBondContact OG1-N 2.95Å; T375-N377 VanDerWaalsContact OG1-N 3.13Å; T375-A380 HydrophobicContact CG2-CB 4.2Å; T375-M387 HydrophobicContact CG2-CB 4.13Å; T375-M387 HydrophobicContact CG2-SD 4.44Å; T375-I388 PolarHBondContact N-O 3.32Å; T375-V389 HydrophobicContact CG2-CB 4.43Å; T375-V389 HydrophobicContact CG2-CG2 3.91Å; T375-V389 WeakPolarHBondContact O-CA 3.24Å; T375-L390 PolarHBondContact O-N 3.48Å |
| 376 | N | 93.3 | Very high | 83.3 | Confident | 70 Ų | 70 | 60.6 Ų | 60.6 | 37% | 0.374 | 33% | 0.334 | S | S | . | . | trans | -96.9 | -0.3 | 170 | 68.9 | -23.1 | 0 | 0 | 0 | 113.4 | I289 K291 K378 | I289-N376 HydrophobicContact CD1-CB 3.69Å; I289-N376 HydrophobicContact CG1-CB 4Å; K291-N376 WeakPolarHBondContact CA-OD1 3.47Å; K291-N376 PolarHBondContact N-OD1 2.91Å; N376-K378 PolarHBondContact O-N 3.45Å | ||
| 377 | N | 89.1 | Confident | 83 | Confident | 55 Ų | 55 | 58 Ų | 58 | 29% | 0.294 | 32% | 0.322 | S | S | . | . | trans | -80.9 | 100.3 | -175.4 | -177.4 | 14 | 0 | 0 | 0 | 111.1 | T375 G379 A380 | T375-N377 WeakPolarHBondContact OG1-CB 3.24Å; T375-N377 PolarHBondContact OG1-N 2.95Å; T375-N377 VanDerWaalsContact OG1-N 3.13Å; N377-G379 PolarHBondContact O-N 3.48Å; N377-G379 WeakPolarHBondContact OD1-CA 3.46Å; N377-G379 PolarHBondContact OD1-N 3.24Å; N377-A380 HydrophobicContact CB-CB 4.18Å; N377-A380 PolarHBondContact ND2-N 3.12Å; N377-A380 VanDerWaalsContact O-CB 3.28Å; N377-A380 WeakPolarHBondContact O-CB 3.34Å; N377-A380 PolarHBondContact O-N 3.41Å; N377-A380 PolarHBondContact OD1-N 3.16Å | ||
| 378 | K | 80.6 | Confident | 82.9 | Confident | 115 Ų | 115 | 57.8 Ų | 57.8 | 50% | 0.5 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -26.5 | 173 | -64.9 | -167.7 | 178.7 | -167.1 | 0 | 113.2 | D341 N376 | D341-K378 IonicContact OD2-NZ 3.99Å; N376-K378 PolarHBondContact O-N 3.45Å |
| 379 | G | 70.5 | Confident | 82.7 | Confident | 62 Ų | 62 | 55.3 Ų | 55.3 | 64% | 0.639 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 18.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | N377 N381 | N377-G379 PolarHBondContact O-N 3.48Å; N377-G379 WeakPolarHBondContact OD1-CA 3.46Å; N377-G379 PolarHBondContact OD1-N 3.24Å; G379-N381 PolarHBondContact O-N 3.34Å |
| 380 | A | 64.6 | Low | 82.6 | Confident | 19 Ų | 19 | 55.4 Ų | 55.4 | 16% | 0.157 | 31% | 0.305 | C | S | . | . | trans | -65.2 | 119.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108 | T375 N377 V389 | T375-A380 HydrophobicContact CG2-CB 4.2Å; N377-A380 HydrophobicContact CB-CB 4.18Å; N377-A380 PolarHBondContact ND2-N 3.12Å; N377-A380 VanDerWaalsContact O-CB 3.28Å; N377-A380 WeakPolarHBondContact O-CB 3.34Å; N377-A380 PolarHBondContact O-N 3.41Å; N377-A380 PolarHBondContact OD1-N 3.16Å; A380-V389 HydrophobicContact CB-CG2 4.28Å | ||
| 381 | N | 56.8 | Low | 82.6 | Confident | 92 Ų | 92 | 55.9 Ų | 55.9 | 49% | 0.492 | 30% | 0.301 | S | S | . | . | trans | -66.8 | 142 | -175.2 | 54.7 | -9 | 0 | 0 | 0 | 111.5 | G379 N383 N384 | G379-N381 PolarHBondContact O-N 3.34Å; N381-N383 HydrophobicContact CB-CB 4.3Å; N381-N383 PolarHBondContact ND2-ND2 3.02Å; N381-N383 PolarHBondContact O-N 3.27Å; N381-N384 PolarHBondContact O-N 3.25Å | ||
| 382 | N | 57.9 | Low | 82.6 | Confident | 121 Ų | 121 | 51.8 Ų | 51.8 | 65% | 0.647 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -23.3 | 177.8 | -61.9 | -21.8 | 0 | 0 | 0 | 112.4 | N384 T385 | N382-N384 PolarHBondContact O-N 3.27Å; N382-N384 VanDerWaalsContact O-N 3.12Å; N382-T385 PolarHBondContact O-N 3.49Å |
| 383 | N | 57 | Low | 82.7 | Confident | 136 Ų | 136 | 54 Ų | 54 | 73% | 0.727 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -27.7 | 171.7 | -44.2 | 25.2 | 0 | 0 | 0 | 112.9 | N381 T385 | N381-N383 HydrophobicContact CB-CB 4.3Å; N381-N383 PolarHBondContact ND2-ND2 3.02Å; N381-N383 PolarHBondContact O-N 3.27Å; N383-T385 PolarHBondContact O-N 3.33Å |
| 384 | N | 66.4 | Low | 82.7 | Confident | 64 Ų | 64 | 51.2 Ų | 51.2 | 34% | 0.342 | 29% | 0.287 | S | S | . | . | trans | -98.8 | 72.5 | 174.1 | -155.3 | -45.8 | 0 | 0 | 0 | 111.4 | N381 N382 Q386 M387 | N381-N384 PolarHBondContact O-N 3.25Å; N382-N384 PolarHBondContact O-N 3.27Å; N382-N384 VanDerWaalsContact O-N 3.12Å; N384-Q386 PolarHBondContact O-N 3.1Å; N384-Q386 PolarHBondContact OD1-N 3.11Å; N384-M387 PolarHBondContact O-N 2.86Å; N384-M387 VanDerWaalsContact O-N 3.09Å | ||
| 385 | T | 68.3 | Low | 82.7 | Confident | 90 Ų | 90 | 53.5 Ų | 53.5 | 55% | 0.552 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -9.7 | 176.8 | 55.6 | 0 | 0 | 0 | 0 | 114.5 | N382 N383 | N382-T385 PolarHBondContact O-N 3.49Å; N383-T385 PolarHBondContact O-N 3.33Å |
| 386 | Q | 81.4 | Confident | 82.8 | Confident | 99 Ų | 99 | 53.5 Ų | 53.5 | 46% | 0.463 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -2.4 | 178.1 | -58.1 | -172.3 | 5.4 | 0 | 0 | 114.2 | Y350 K373 N384 | Y350-Q386 HydrophobicContact CD2-CB 4.48Å; Y350-Q386 WeakPolarHBondContact CD2-O 3.41Å; Y350-Q386 HydrophobicContact CE2-CB 3.89Å; Y350-Q386 HydrophobicContact CE2-CG 4.24Å; K373-Q386 PolarHBondContact N-O 3.25Å; N384-Q386 PolarHBondContact O-N 3.1Å; N384-Q386 PolarHBondContact OD1-N 3.11Å |
| 387 | M | 91 | Very high | 83.1 | Confident | 24 Ų | 24 | 51 Ų | 51 | 12% | 0.118 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 133.3 | 179.2 | -53.3 | -155.6 | -167.4 | 0 | 0 | 113 | Q292 N347 K373 T375 N384 | Q292-M387 VanDerWaalsContact O-CE 3.28Å; Q292-M387 WeakPolarHBondContact O-CE 3.38Å; N347-M387 PolarHBondContact ND2-O 2.9Å; K373-M387 HydrophobicContact CB-CG 4.09Å; K373-M387 HydrophobicContact CD-CE 3.92Å; K373-M387 HydrophobicContact CD-CG 4.34Å; K373-M387 HydrophobicContact CD-SD 4.36Å; K373-M387 WeakPolarHBondContact O-CA 3.45Å; T375-M387 HydrophobicContact CG2-CB 4.13Å; T375-M387 HydrophobicContact CG2-SD 4.44Å; N384-M387 PolarHBondContact O-N 2.86Å; N384-M387 VanDerWaalsContact O-N 3.09Å |
| 388 | I | 94.3 | Very high | 83.5 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 132.1 | 169.9 | -68.8 | -178.5 | 0 | 0 | 0 | 109.2 | V319 N347 L372 K373 L374 T375 L390 | V319-I388 HydrophobicContact CB-CD1 4.4Å; V319-I388 HydrophobicContact CB-CG2 4.12Å; V319-I388 HydrophobicContact CG2-CD1 3.73Å; V319-I388 HydrophobicContact CG2-CG2 4.32Å; N347-I388 WeakPolarHBondContact O-CA 3.41Å; L372-I388 HydrophobicContact CD1-CD1 4.14Å; L372-I388 HydrophobicContact CD2-CD1 4.22Å; L372-I388 HydrophobicContact CG-CD1 4.38Å; K373-I388 PolarHBondContact O-N 2.95Å; L374-I388 WeakPolarHBondContact CA-O 3.29Å; L374-I388 HydrophobicContact CD2-CB 4.02Å; L374-I388 HydrophobicContact CD2-CG2 4.23Å; T375-I388 PolarHBondContact N-O 3.32Å; I388-L390 HydrophobicContact CG2-CD2 3.74Å; I388-L390 HydrophobicContact CG2-CG 4.16Å |
| 389 | V | 94.1 | Very high | 84.3 | Confident | 6 Ų | 6 | 46.8 Ų | 46.8 | 4% | 0.036 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 116.8 | -177.3 | -175.9 | 0 | 0 | 0 | 0 | 110.1 | M344 N347 T375 A380 | M344-V389 VanDerWaalsContact CE-O 3.26Å; M344-V389 WeakPolarHBondContact CE-O 3.42Å; N347-V389 PolarHBondContact O-N 3.12Å; T375-V389 HydrophobicContact CG2-CB 4.43Å; T375-V389 HydrophobicContact CG2-CG2 3.91Å; T375-V389 WeakPolarHBondContact O-CA 3.24Å; A380-V389 HydrophobicContact CB-CG2 4.28Å |
| 390 | L | 95 | Very high | 85.6 | Confident | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | trans | -120.2 | 154.3 | 179.6 | -56.6 | -176 | 0 | 0 | 0 | 111.6 | I289 V319 M344 L374 T375 I388 Y396 F429 A431 | I289-L390 HydrophobicContact CG2-CB 4.47Å; I289-L390 HydrophobicContact CG2-CD1 4.4Å; V319-L390 HydrophobicContact CB-CD2 4.33Å; V319-L390 HydrophobicContact CG1-CD1 4.44Å; V319-L390 HydrophobicContact CG1-CD2 3.82Å; M344-L390 HydrophobicContact CE-CD2 4.23Å; L374-L390 HydrophobicContact CB-CD1 4.31Å; L374-L390 HydrophobicContact CD1-CD1 3.89Å; L374-L390 HydrophobicContact CD2-CD1 3.94Å; L374-L390 HydrophobicContact CD2-CG 4.49Å; L374-L390 HydrophobicContact CG-CD1 4.27Å; T375-L390 PolarHBondContact O-N 3.48Å; I388-L390 HydrophobicContact CG2-CD2 3.74Å; I388-L390 HydrophobicContact CG2-CG 4.16Å; L390-Y396 HydrophobicContact CB-CE2 3.97Å; L390-Y396 HydrophobicContact CD1-CD2 4.07Å; L390-Y396 HydrophobicContact CD1-CE2 4.21Å; L390-Y396 HydrophobicContact CD1-CG 4.41Å; L390-Y396 HydrophobicContact CD2-CD1 3.89Å; L390-Y396 HydrophobicContact CD2-CD2 4.39Å; L390-Y396 HydrophobicContact CD2-CE1 3.71Å; L390-Y396 HydrophobicContact CD2-CE2 4.2Å; L390-Y396 HydrophobicContact CD2-CG 4.24Å; L390-Y396 HydrophobicContact CG-CE2 4.36Å; L390-F429 HydrophobicContact CD1-CE2 3.71Å; L390-F429 HydrophobicContact CD1-CZ 3.76Å; L390-A431 HydrophobicContact CB-CB 4.26Å; L390-A431 HydrophobicContact CD1-CB 4.06Å | ||
| 391 | Q | 94.6 | Very high | 87.2 | Confident | 32 Ų | 32 | 43.5 Ų | 43.5 | 15% | 0.15 | 23% | 0.225 | C | C | . | . | trans | -85.9 | 142.3 | 165.3 | -61.1 | -171.1 | 20.5 | 0 | 0 | 109.3 | D341 M344 H394 Y396 A431 | D341-Q391 PolarHBondContact O-NE2 3.03Å; M344-Q391 HydrophobicContact CG-CG 3.94Å; M344-Q391 VanDerWaalsContact CG-NE2 3.31Å; M344-Q391 HydrophobicContact SD-CG 4.28Å; Q391-H394 PolarHBondContact OE1-CE1 2.76Å; Q391-Y396 PolarHBondContact N-OH 3.4Å; Q391-Y396 PolarHBondContact O-OH 3.46Å; Q391-A431 WeakPolarHBondContact O-CB 3.41Å | ||
| 392 | S | 96.1 | Very high | 89 | Confident | 33 Ų | 33 | 39.2 Ų | 39.2 | 23% | 0.231 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 156.6 | 170.7 | -162.7 | 0 | 0 | 0 | 0 | 110.3 | H394 A431 T433 | S392-H394 PolarHBondContact O-N 3.4Å; S392-H394 PolarHBondContact O-ND1 3.13Å; S392-A431 CarbonylContact C-O 3.55Å; S392-T433 PolarHBondContact OG-N 2.86Å |
| 393 | L | 96.8 | Very high | 90.7 | Very high | 47 Ų | 47 | 34 Ų | 34 | 25% | 0.246 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 25.1 | 176 | -58.3 | -178 | 0 | 0 | 0 | 115 | W327 W334 A431 V432 | W327-L393 WeakPolarHBondContact CB-O 3.36Å; W327-L393 PolarHBondContact N-O 2.88Å; W327-L393 WeakPolarHBondContact O-CB 3.36Å; W334-L393 HydrophobicContact CH2-CD2 3.97Å; W334-L393 HydrophobicContact CZ3-CD2 4.03Å; L393-A431 PolarHBondContact N-O 2.98Å; L393-V432 HydrophobicContact CD2-CG1 4.48Å |
| 394 | H | 96.4 | Very high | 92.3 | Very high | 7 Ų | 7 | 30.6 Ų | 30.6 | 3% | 0.032 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 147.2 | 176.1 | -71.9 | 82.8 | 0 | 0 | 0 | 110.8 | L321 N325 H326 A340 Q391 S392 Y396 I430 A431 | L321-H394 HydrophobicContact CD2-CB 3.91Å; N325-H394 PolarHBondContact O-CD2 3.17Å; H326-H394 AromaticContact CD2-CE1 3.82Å; A340-H394 VanDerWaalsContact CA-NE2 3.32Å; A340-H394 WeakPolarHBondContact CA-NE2 3.21Å; A340-H394 WeakPolarHBondContact CB-CD2 3.49Å; A340-H394 VanDerWaalsContact CB-NE2 3.31Å; A340-H394 WeakPolarHBondContact CB-NE2 3.32Å; Q391-H394 PolarHBondContact OE1-CE1 2.76Å; S392-H394 PolarHBondContact O-N 3.4Å; S392-H394 PolarHBondContact O-ND1 3.13Å; H394-Y396 HydrophobicContact CB-CD2 4.48Å; H394-Y396 HydrophobicContact CB-CE2 3.62Å; H394-Y396 VanDerWaalsContact O-CD2 3.25Å; H394-Y396 WeakPolarHBondContact O-CD2 3.32Å; H394-Y396 WeakPolarHBondContact O-CE2 3.33Å; H394-I430 WeakPolarHBondContact O-CA 3.42Å; H394-A431 PolarHBondContact O-N 2.9Å |
| 395 | K | 97.4 | Very high | 93.4 | Very high | 49 Ų | 49 | 29.7 Ų | 29.7 | 21% | 0.213 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 133.8 | 179.8 | -164.1 | -167.6 | 176.5 | -164.4 | 0 | 110.6 | A322 D323 W327 F429 I430 | A322-K395 HydrophobicContact CB-CB 4.36Å; A322-K395 HydrophobicContact CB-CD 4.03Å; A322-K395 HydrophobicContact CB-CG 4.01Å; A322-K395 PolarHBondContact N-O 2.73Å; D323-K395 WeakPolarHBondContact OD2-CD 3.25Å; W327-K395 HydrophobicContact CZ2-CD 4.5Å; K395-F429 CarbonylContact C-O 3.58Å; K395-F429 WeakPolarHBondContact CA-O 3.38Å; K395-I430 HydrophobicContact CB-CG1 4.12Å; K395-I430 HydrophobicContact CG-CG1 4.02Å |
| 396 | Y | 98.1 | Very high | 94 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 153.2 | -173.5 | -68.4 | -78.6 | 0 | 0 | 0 | 112.5 | V319 V320 L321 M344 L390 Q391 H394 Q428 F429 A431 | V319-Y396 HydrophobicContact CG1-CD1 3.87Å; V319-Y396 HydrophobicContact CG1-CG 3.96Å; V320-Y396 CarbonylContact O-C 3.6Å; V320-Y396 VanDerWaalsContact O-CA 3.27Å; V320-Y396 WeakPolarHBondContact O-CA 3.36Å; V320-Y396 WeakPolarHBondContact O-CD1 3.27Å; L321-Y396 HydrophobicContact CD2-CD1 4.08Å; L321-Y396 HydrophobicContact CD2-CE1 3.45Å; L321-Y396 VanDerWaalsContact CD2-CE1 3.45Å; L321-Y396 HydrophobicContact CG-CD1 4.42Å; L321-Y396 HydrophobicContact CG-CE1 3.87Å; M344-Y396 HydrophobicContact CE-CE1 3.82Å; M344-Y396 WeakPolarHBondContact CE-OH 3.44Å; M344-Y396 HydrophobicContact SD-CE1 3.77Å; M344-Y396 PolarHBondContact SD-OH 3.32Å; L390-Y396 HydrophobicContact CB-CE2 3.97Å; L390-Y396 HydrophobicContact CD1-CD2 4.07Å; L390-Y396 HydrophobicContact CD1-CE2 4.21Å; L390-Y396 HydrophobicContact CD1-CG 4.41Å; L390-Y396 HydrophobicContact CD2-CD1 3.89Å; L390-Y396 HydrophobicContact CD2-CD2 4.39Å; L390-Y396 HydrophobicContact CD2-CE1 3.71Å; L390-Y396 HydrophobicContact CD2-CE2 4.2Å; L390-Y396 HydrophobicContact CD2-CG 4.24Å; L390-Y396 HydrophobicContact CG-CE2 4.36Å; Q391-Y396 PolarHBondContact N-OH 3.4Å; Q391-Y396 PolarHBondContact O-OH 3.46Å; H394-Y396 HydrophobicContact CB-CD2 4.48Å; H394-Y396 HydrophobicContact CB-CE2 3.62Å; H394-Y396 VanDerWaalsContact O-CD2 3.25Å; H394-Y396 WeakPolarHBondContact O-CD2 3.32Å; H394-Y396 WeakPolarHBondContact O-CE2 3.33Å; Y396-Q428 VanDerWaalsContact O-CA 3.27Å; Y396-Q428 WeakPolarHBondContact O-CA 3.23Å; Y396-F429 HydrophobicContact CD2-CE2 4.12Å; Y396-F429 HydrophobicContact CG-CE2 4.42Å; Y396-F429 PolarHBondContact N-O 2.83Å; Y396-F429 PolarHBondContact O-N 3.1Å; Y396-F429 VanDerWaalsContact O-N 3.09Å; Y396-A431 HydrophobicContact CD2-CB 3.85Å; Y396-A431 HydrophobicContact CE2-CB 3.71Å |
| 397 | Q | 98.1 | Very high | 93.2 | Very high | 16 Ų | 16 | 32.5 Ų | 32.5 | 8% | 0.075 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 114.4 | 174.9 | 173.2 | 65.8 | 80.2 | 0 | 0 | 108.7 | V320 A322 T423 F424 Q428 | V320-Q397 HydrophobicContact CG2-CB 4.11Å; V320-Q397 PolarHBondContact N-O 3.11Å; V320-Q397 VanDerWaalsContact N-O 3.1Å; V320-Q397 PolarHBondContact O-N 3.45Å; A322-Q397 HydrophobicContact CB-CB 4.12Å; Q397-T423 HydrophobicContact CG-CG2 3.55Å; Q397-F424 PolarHBondContact NE2-O 2.98Å; Q397-Q428 HydrophobicContact CB-CG 4.26Å |
| 398 | P | 98.2 | Very high | 91.8 | Very high | 5 Ų | 5 | 37.9 Ų | 37.9 | 3% | 0.032 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 141.5 | 166.1 | -21.1 | 33.6 | 0 | 0 | 0 | 112 | L300 V317 E318 T427 F429 | L300-P398 HydrophobicContact CD1-CB 3.56Å; L300-P398 HydrophobicContact CD1-CG 4.06Å; L300-P398 HydrophobicContact CD2-CB 4.27Å; L300-P398 HydrophobicContact CD2-CG 4.4Å; V317-P398 HydrophobicContact CG1-CB 4.49Å; E318-P398 WeakPolarHBondContact O-CA 3.42Å; P398-T427 VanDerWaalsContact CD-O 3.32Å; P398-T427 WeakPolarHBondContact CD-O 3.47Å; P398-F429 HydrophobicContact CG-CD1 4.22Å; P398-F429 HydrophobicContact CG-CE1 3.89Å |
| 399 | R | 97.9 | Very high | 89.9 | Confident | 78 Ų | 78 | 40.7 Ų | 40.7 | 29% | 0.294 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 131.5 | 173.7 | -56.7 | 170 | 76.7 | -157.5 | 8.6 | 107.9 | V317 E318 V320 H401 T421 F422 | V317-R399 CarbonylContact C-O 3.54Å; V317-R399 VanDerWaalsContact CA-O 3.29Å; V317-R399 WeakPolarHBondContact CA-O 3.35Å; E318-R399 HydrophobicContact CB-CB 4.46Å; E318-R399 PolarHBondContact N-O 2.84Å; E318-R399 PolarHBondContact O-N 2.98Å; E318-R399 WeakPolarHBondContact OE2-CD 3.18Å; E318-R399 IonicContact OE2-CZ 3.98Å; E318-R399 IonicContact OE2-NE 3.4Å; E318-R399 IonicContact OE2-NH1 3.93Å; E318-R399 PolarHBondContact OE2-NH1 3.01Å; V320-R399 HydrophobicContact CG2-CG 4.32Å; R399-H401 WeakPolarHBondContact CB-NE2 3.39Å; R399-T421 HydrophobicContact CB-CG2 4.22Å; R399-F422 WeakPolarHBondContact CA-O 3.44Å |
| 400 | L | 98 | Very high | 88 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 133 | 170.1 | -176.6 | 75.7 | 0 | 0 | 0 | 108.5 | V269 F302 V315 V317 F369 T421 F422 | V269-L400 HydrophobicContact CG1-CD2 3.67Å; V269-L400 HydrophobicContact CG2-CD2 4.32Å; F302-L400 HydrophobicContact CB-CD2 4.46Å; F302-L400 HydrophobicContact CD1-CD2 4.41Å; F302-L400 HydrophobicContact CD2-CD1 4.03Å; F302-L400 HydrophobicContact CD2-CD2 3.97Å; F302-L400 HydrophobicContact CE2-CB 4.35Å; F302-L400 HydrophobicContact CE2-CD1 3.83Å; F302-L400 HydrophobicContact CE2-CD2 4.25Å; F302-L400 HydrophobicContact CE2-CG 4.38Å; F302-L400 HydrophobicContact CG-CD2 4.04Å; F302-L400 HydrophobicContact CZ-CB 4.25Å; V315-L400 HydrophobicContact CG1-CD1 3.81Å; V315-L400 HydrophobicContact CG1-CG 4.44Å; V317-L400 HydrophobicContact CG2-CD1 3.87Å; F369-L400 HydrophobicContact CE2-CD1 3.64Å; F369-L400 HydrophobicContact CZ-CD1 3.69Å; L400-T421 CarbonylContact O-C 3.6Å; L400-T421 WeakPolarHBondContact O-CA 3.47Å; L400-F422 HydrophobicContact CB-CB 4.39Å; L400-F422 PolarHBondContact N-O 2.93Å; L400-F422 PolarHBondContact O-N 3.12Å |
| 401 | H | 96.5 | Very high | 86.1 | Confident | 11 Ų | 11 | 49.8 Ų | 49.8 | 5% | 0.051 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 137.4 | 176.3 | -61.5 | -97.7 | 0 | 0 | 0 | 109.5 | V315 F316 E318 R399 Q420 T421 | V315-H401 WeakPolarHBondContact CA-O 3.29Å; F316-H401 HydrophobicContact CD1-CB 4.01Å; F316-H401 HydrophobicContact CD2-CB 3.81Å; F316-H401 HydrophobicContact CE1-CB 3.7Å; F316-H401 HydrophobicContact CE2-CB 3.48Å; F316-H401 VanDerWaalsContact CE2-CB 3.48Å; F316-H401 AromaticContact CE2-CD2 3.72Å; F316-H401 AromaticContact CE2-CG 3.53Å; F316-H401 HydrophobicContact CG-CB 4.06Å; F316-H401 HydrophobicContact CZ-CB 3.43Å; F316-H401 VanDerWaalsContact CZ-CB 3.43Å; F316-H401 AromaticContact CZ-CG 3.82Å; F316-H401 PolarHBondContact N-O 3.26Å; F316-H401 PolarHBondContact O-N 2.91Å; E318-H401 WeakPolarHBondContact CB-NE2 3.49Å; E318-H401 IonicContact OE2-NE2 2.79Å; R399-H401 WeakPolarHBondContact CB-NE2 3.39Å; H401-Q420 WeakPolarHBondContact CA-O 3.45Å; H401-T421 WeakPolarHBondContact CE1-CG2 3.34Å; H401-T421 PolarHBondContact CE1-OG1 3.47Å; H401-T421 PolarHBondContact ND1-OG1 3.49Å; H401-T421 VanDerWaalsContact ND1-OG1 3.11Å |
| 402 | I | 95.8 | Very high | 84.1 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 121.3 | 172.5 | -54.2 | 174.3 | 0 | 0 | 0 | 106.5 | A267 V269 I304 L307 Y313 N314 V315 Q420 F422 | A267-I402 HydrophobicContact CB-CD1 3.94Å; V269-I402 HydrophobicContact CG2-CD1 3.92Å; I304-I402 HydrophobicContact CD1-CD1 3.83Å; I304-I402 HydrophobicContact CG1-CD1 4.35Å; I304-I402 HydrophobicContact CG2-CD1 4Å; L307-I402 HydrophobicContact CD2-CG2 4Å; Y313-I402 HydrophobicContact CD1-CG2 3.75Å; Y313-I402 HydrophobicContact CG-CG2 4.19Å; N314-I402 WeakPolarHBondContact O-CA 3.46Å; V315-I402 HydrophobicContact CG1-CG1 4.33Å; V315-I402 HydrophobicContact CG2-CG1 4.29Å; V315-I402 HydrophobicContact CG2-CG2 4.28Å; I402-Q420 PolarHBondContact N-O 3.24Å; I402-Q420 PolarHBondContact O-N 3.22Å; I402-F422 HydrophobicContact CD1-CD2 4.33Å; I402-F422 HydrophobicContact CD1-CE2 3.92Å; I402-F422 HydrophobicContact CG1-CE2 4.36Å |
| 403 | V | 93.7 | Very high | 82.2 | Confident | 12 Ų | 12 | 56.1 Ų | 56.1 | 7% | 0.073 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 127.3 | -178.1 | -178.2 | 0 | 0 | 0 | 0 | 108.6 | Y313 N314 F316 L413 T419 | Y313-V403 CarbonylContact C-O 3.58Å; Y313-V403 WeakPolarHBondContact CA-O 3.47Å; N314-V403 PolarHBondContact N-O 3.35Å; N314-V403 PolarHBondContact O-N 2.81Å; F316-V403 HydrophobicContact CE1-CG2 3.75Å; F316-V403 HydrophobicContact CZ-CG2 4.35Å; V403-L413 HydrophobicContact CG1-CD1 4.46Å; V403-L413 HydrophobicContact CG2-CD1 4.21Å; V403-T419 HydrophobicContact CG2-CG2 3.9Å |
| 404 | E | 91.1 | Very high | 80 | Confident | 64 Ų | 64 | 61.3 Ų | 61.3 | 30% | 0.299 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 125.6 | 175.2 | -161.2 | 163.6 | 131.2 | 0 | 0 | 110.3 | A311 Y313 T406 | A311-E404 HydrophobicContact CB-CG 4.06Å; Y313-E404 HydrophobicContact CD1-CB 3.83Å; Y313-E404 HydrophobicContact CD1-CG 4.03Å; Y313-E404 HydrophobicContact CE1-CB 3.54Å; Y313-E404 HydrophobicContact CE1-CG 3.51Å; Y313-E404 WeakPolarHBondContact CE1-OE2 3.34Å; Y313-E404 PolarHBondContact OH-OE2 2.91Å; E404-T406 PolarHBondContact O-N 3.34Å |
| 405 | V | 88.7 | Confident | 78.1 | Confident | 46 Ų | 46 | 64.8 Ų | 64.8 | 28% | 0.279 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 108 | -179.7 | -176.3 | 0 | 0 | 0 | 0 | 108.1 | H312 P356 | H312-V405 HydrophobicContact CB-CB 4.15Å; H312-V405 PolarHBondContact O-N 2.86Å; P356-V405 HydrophobicContact CB-CG2 4.15Å |
| 406 | T | 80.8 | Confident | 76 | Confident | 44 Ų | 44 | 67.5 Ų | 67.5 | 27% | 0.27 | 37% | 0.366 | S | S | . | . | trans | -84 | 146.2 | 176.4 | 43.8 | 0 | 0 | 0 | 0 | 112 | E404 D408 G409 K418 | E404-T406 PolarHBondContact O-N 3.34Å; T406-D408 PolarHBondContact O-N 2.82Å; T406-D408 VanDerWaalsContact O-N 3.08Å; T406-G409 PolarHBondContact O-N 2.93Å; T406-K418 HydrophobicContact CG2-CD 4.42Å; T406-K418 PolarHBondContact OG1-NZ 2.82Å | ||
| 407 | E | 65.7 | Low | 74.1 | Confident | 203 Ų | 203 | 72.2 Ų | 72.2 | 95% | 0.949 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -20.2 | -167.9 | -162 | 167.2 | -149.7 | 0 | 0 | 114.5 | G409 | E407-G409 PolarHBondContact O-N 2.79Š|
| 408 | D | 60.7 | Low | 72.9 | Confident | 137 Ų | 137 | 75.5 Ų | 75.5 | 73% | 0.733 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -8.9 | 175.9 | -52.1 | -75.6 | 0 | 0 | 0 | 114.6 | T406 V410 | T406-D408 PolarHBondContact O-N 2.82Å; T406-D408 VanDerWaalsContact O-N 3.08Å; D408-V410 PolarHBondContact O-N 3Å |
| 409 | G | 54.8 | Low | 72.4 | Confident | 60 Ų | 60 | 76.7 Ų | 76.7 | 62% | 0.619 | 42% | 0.42 | S | S | * | . | trans | 71.4 | -7.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116 | T406 E407 E411 | T406-G409 PolarHBondContact O-N 2.93Å; E407-G409 PolarHBondContact O-N 2.79Å; G409-E411 PolarHBondContact O-N 3.44Å; G409-E411 VanDerWaalsContact O-N 3.15Å | ||
| 410 | V | 54.9 | Low | 72.1 | Confident | 91 Ų | 91 | 74.7 Ų | 74.7 | 55% | 0.552 | 41% | 0.414 | S | S | * | . | trans | -76.4 | 97.6 | 171.9 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | D408 D412 | D408-V410 PolarHBondContact O-N 3Å; V410-D412 WeakPolarHBondContact CG1-OD2 3.42Å; V410-D412 PolarHBondContact O-N 2.94Å | ||
| 411 | E | 54.3 | Low | 72 | Confident | 109 Ų | 109 | 77.1 Ų | 77.1 | 51% | 0.509 | 43% | 0.429 | S | S | . | . | trans | -71.8 | 70.3 | 169.5 | -68.5 | -122.2 | 146 | 0 | 0 | 110.9 | N314 G409 L413 | N314-E411 PolarHBondContact ND2-OE1 2.89Å; N314-E411 PolarHBondContact ND2-OE2 2.94Å; G409-E411 PolarHBondContact O-N 3.44Å; G409-E411 VanDerWaalsContact O-N 3.15Å; E411-L413 PolarHBondContact O-N 2.91Å | ||
| 412 | D | 52.1 | Low | 72.1 | Confident | 107 Ų | 107 | 78.1 Ų | 78.1 | 57% | 0.572 | 43% | 0.434 | S | S | * | . | trans | -70 | 69.4 | 164.2 | -85.6 | -39.1 | 0 | 0 | 0 | 109.7 | V410 N414 E415 | V410-D412 WeakPolarHBondContact CG1-OD2 3.42Å; V410-D412 PolarHBondContact O-N 2.94Å; D412-N414 PolarHBondContact O-N 2.93Å; D412-E415 HydrophobicContact CB-CB 4.32Å; D412-E415 WeakPolarHBondContact O-CB 3.29Å; D412-E415 PolarHBondContact O-N 2.89Å | ||
| 413 | L | 56.5 | Low | 72.2 | Confident | 90 Ų | 90 | 81.7 Ų | 81.7 | 47% | 0.471 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -5.5 | 176.3 | -157.9 | 72.3 | 0 | 0 | 0 | 113 | F316 V403 E411 | F316-L413 HydrophobicContact CE1-CD1 4.04Å; F316-L413 HydrophobicContact CZ-CD1 4.37Å; V403-L413 HydrophobicContact CG1-CD1 4.46Å; V403-L413 HydrophobicContact CG2-CD1 4.21Å; E411-L413 PolarHBondContact O-N 2.91Å |
| 414 | N | 49.5 | Very low | 72.4 | Confident | 157 Ų | 157 | 82.5 Ų | 82.5 | 84% | 0.84 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -5.2 | 177.3 | -126.5 | -8 | 0 | 0 | 0 | 113 | D412 P416 | D412-N414 PolarHBondContact O-N 2.93Å; N414-P416 VanDerWaalsContact O-CD 3.29Å; N414-P416 WeakPolarHBondContact O-CD 3.25Å |
| 415 | E | 56.9 | Low | 72.7 | Confident | 80 Ų | 80 | 82.9 Ų | 82.9 | 37% | 0.374 | 47% | 0.468 | S | S | . | . | trans | -78.7 | 111.7 | 178 | -135.1 | -55.8 | 139.3 | 0 | 0 | 109.9 | D412 S417 T419 | D412-E415 HydrophobicContact CB-CB 4.32Å; D412-E415 WeakPolarHBondContact O-CB 3.29Å; D412-E415 PolarHBondContact O-N 2.89Å; E415-S417 VanDerWaalsContact C-N 3.29Å; E415-S417 PolarHBondContact O-N 3.09Å; E415-S417 WeakPolarHBondContact OE2-CA 3.33Å; E415-S417 WeakPolarHBondContact OE2-CB 3.41Å; E415-S417 PolarHBondContact OE2-N 2.87Å; E415-S417 PolarHBondContact OE2-OG 2.78Å; E415-T419 PolarHBondContact O-OG1 3.13Å | ||
| 416 | P | 54 | Low | 73.1 | Confident | 105 Ų | 105 | 81 Ų | 81 | 68% | 0.682 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -15.3 | -170.6 | 31.3 | -36.8 | 0 | 0 | 0 | 113.7 | N414 | N414-P416 VanDerWaalsContact O-CD 3.29Å; N414-P416 WeakPolarHBondContact O-CD 3.25Å |
| 417 | S | 58.2 | Low | 74 | Confident | 100 Ų | 100 | 79 Ų | 79 | 70% | 0.699 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -28.3 | -179.2 | 71.9 | 0 | 0 | 0 | 0 | 113.3 | E415 | E415-S417 VanDerWaalsContact C-N 3.29Å; E415-S417 PolarHBondContact O-N 3.09Å; E415-S417 WeakPolarHBondContact OE2-CA 3.33Å; E415-S417 WeakPolarHBondContact OE2-CB 3.41Å; E415-S417 PolarHBondContact OE2-N 2.87Å; E415-S417 PolarHBondContact OE2-OG 2.78Å |
| 418 | K | 72.5 | Confident | 75.6 | Confident | 85 Ų | 85 | 71.1 Ų | 71.1 | 37% | 0.37 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -14.4 | 178.2 | -65.4 | -178.6 | -177.8 | 173.6 | 0 | 113.9 | T406 | T406-K418 HydrophobicContact CG2-CD 4.42Å; T406-K418 PolarHBondContact OG1-NZ 2.82Å |
| 419 | T | 87.6 | Confident | 77.4 | Confident | 30 Ų | 30 | 64.7 Ų | 64.7 | 18% | 0.184 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 97.5 | -169.8 | -60.6 | 0 | 0 | 0 | 0 | 112.7 | V403 E415 T421 | V403-T419 HydrophobicContact CG2-CG2 3.9Å; E415-T419 PolarHBondContact O-OG1 3.13Å; T419-T421 PolarHBondContact O-N 3.38Å |
| 420 | Q | 92.8 | Very high | 79.5 | Confident | 36 Ų | 36 | 62 Ų | 62 | 17% | 0.168 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 117.8 | 176.8 | -55.5 | -166.4 | 49 | 0 | 0 | 110.5 | F265 H401 I402 F422 | F265-Q420 PolarHBondContact O-NE2 3.37Å; H401-Q420 WeakPolarHBondContact CA-O 3.45Å; I402-Q420 PolarHBondContact N-O 3.24Å; I402-Q420 PolarHBondContact O-N 3.22Å; Q420-F422 HydrophobicContact CB-CE2 3.7Å; Q420-F422 HydrophobicContact CB-CZ 4.05Å |
| 421 | T | 95.8 | Very high | 81.5 | Confident | 51 Ų | 51 | 57.7 Ų | 57.7 | 31% | 0.313 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 130.5 | -176 | -53.6 | 0 | 0 | 0 | 0 | 112.5 | R399 L400 H401 T419 | R399-T421 HydrophobicContact CB-CG2 4.22Å; L400-T421 CarbonylContact O-C 3.6Å; L400-T421 WeakPolarHBondContact O-CA 3.47Å; H401-T421 WeakPolarHBondContact CE1-CG2 3.34Å; H401-T421 PolarHBondContact CE1-OG1 3.47Å; H401-T421 PolarHBondContact ND1-OG1 3.49Å; H401-T421 VanDerWaalsContact ND1-OG1 3.11Å; T419-T421 PolarHBondContact O-N 3.38Å |
| 422 | F | 97.3 | Very high | 83.6 | Confident | 33 Ų | 33 | 52.5 Ų | 52.5 | 15% | 0.145 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 132.2 | -177.8 | -57 | -89 | 0 | 0 | 0 | 110.3 | A267 V269 R399 L400 I402 Q420 F424 | A267-F422 HydrophobicContact CB-CE2 4.17Å; A267-F422 HydrophobicContact CB-CZ 3.81Å; A267-F422 VanDerWaalsContact O-CE1 3.28Å; A267-F422 WeakPolarHBondContact O-CE1 3.34Å; A267-F422 VanDerWaalsContact O-CZ 3.25Å; A267-F422 WeakPolarHBondContact O-CZ 3.35Å; V269-F422 HydrophobicContact CB-CB 4.36Å; V269-F422 HydrophobicContact CB-CD1 3.88Å; V269-F422 HydrophobicContact CB-CD2 4.37Å; V269-F422 HydrophobicContact CB-CE1 4.33Å; V269-F422 HydrophobicContact CB-CG 3.92Å; V269-F422 HydrophobicContact CG2-CB 4.46Å; V269-F422 HydrophobicContact CG2-CD1 3.74Å; V269-F422 HydrophobicContact CG2-CD2 3.59Å; V269-F422 HydrophobicContact CG2-CE1 3.84Å; V269-F422 HydrophobicContact CG2-CE2 3.71Å; V269-F422 HydrophobicContact CG2-CG 3.63Å; V269-F422 HydrophobicContact CG2-CZ 3.85Å; R399-F422 WeakPolarHBondContact CA-O 3.44Å; L400-F422 HydrophobicContact CB-CB 4.39Å; L400-F422 PolarHBondContact N-O 2.93Å; L400-F422 PolarHBondContact O-N 3.12Å; I402-F422 HydrophobicContact CD1-CD2 4.33Å; I402-F422 HydrophobicContact CD1-CE2 3.92Å; I402-F422 HydrophobicContact CG1-CE2 4.36Å; Q420-F422 HydrophobicContact CB-CE2 3.7Å; Q420-F422 HydrophobicContact CB-CZ 4.05Å; F422-F424 HydrophobicContact CB-CE2 4.2Å |
| 423 | T | 97.8 | Very high | 85.8 | Confident | 76 Ų | 76 | 51.4 Ų | 51.4 | 47% | 0.466 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 133.7 | -175.1 | -55.5 | 0 | 0 | 0 | 0 | 109.7 | Q397 | Q397-T423 HydrophobicContact CG-CG2 3.55Å |
| 424 | F | 98.2 | Very high | 87.8 | Confident | 29 Ų | 29 | 49.6 Ų | 49.6 | 13% | 0.127 | 29% | 0.288 | C | S | . | . | trans | -121.9 | 110.6 | -174.4 | -69.3 | -80.7 | 0 | 0 | 0 | 108.8 | V269 L271 F302 Q397 F422 E426 T427 | V269-F424 HydrophobicContact CB-CZ 4.41Å; V269-F424 HydrophobicContact CG1-CE2 4.12Å; V269-F424 HydrophobicContact CG1-CZ 4.01Å; L271-F424 HydrophobicContact CB-CD1 3.81Å; L271-F424 HydrophobicContact CB-CE1 3.81Å; L271-F424 HydrophobicContact CB-CG 4.22Å; L271-F424 HydrophobicContact CB-CZ 4.2Å; L271-F424 HydrophobicContact CD2-CB 4.42Å; L271-F424 HydrophobicContact CD2-CD1 4.48Å; L271-F424 HydrophobicContact CD2-CG 4.49Å; F302-F424 HydrophobicContact CD1-CD2 4.47Å; F302-F424 AromaticContact CD1-CE2 3.87Å; F302-F424 HydrophobicContact CD1-CE2 3.87Å; F302-F424 HydrophobicContact CD1-CZ 4.4Å; F302-F424 AromaticContact CE1-CD2 3.72Å; F302-F424 HydrophobicContact CE1-CD2 3.72Å; F302-F424 AromaticContact CE1-CE2 3.53Å; F302-F424 HydrophobicContact CE1-CE2 3.53Å; F302-F424 HydrophobicContact CE1-CZ 4.42Å; Q397-F424 PolarHBondContact NE2-O 2.98Å; F422-F424 HydrophobicContact CB-CE2 4.2Å; F424-E426 VanDerWaalsContact C-N 3.29Å; F424-E426 WeakPolarHBondContact CB-OE1 3.28Å; F424-E426 PolarHBondContact O-N 2.8Å; F424-T427 HydrophobicContact CB-CG2 3.81Å; F424-T427 PolarHBondContact O-N 2.83Å; F424-T427 VanDerWaalsContact O-N 3.11Å; F424-T427 PolarHBondContact O-OG1 3.46Å | ||
| 425 | S | 97.9 | Very high | 90.1 | Very high | 72 Ų | 72 | 45.6 Ų | 45.6 | 50% | 0.503 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -66 | -31.9 | -171.9 | 50.6 | 0 | 0 | 0 | 0 | 112.7 | H281 T427 Q428 | H281-S425 PolarHBondContact CE1-O 3.07Å; S425-T427 PolarHBondContact O-N 2.8Å; S425-Q428 WeakPolarHBondContact O-CB 3.49Å; S425-Q428 VanDerWaalsContact O-CG 3.24Å; S425-Q428 WeakPolarHBondContact O-CG 3.4Å; S425-Q428 PolarHBondContact O-N 2.84Å |
| 426 | E | 98 | Very high | 92.1 | Very high | 6 Ų | 6 | 45.3 Ų | 45.3 | 3% | 0.028 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -67 | -17.1 | 175 | 67.4 | -73.4 | 166.8 | 0 | 0 | 114.6 | L271 R274 W277 L278 H281 F424 Q428 | L271-E426 HydrophobicContact CD2-CG 3.93Å; L271-E426 WeakPolarHBondContact CD2-OE1 3.48Å; R274-E426 VanDerWaalsContact CZ-CD 3.48Å; R274-E426 IonicContact CZ-OE1 3.44Å; R274-E426 VanDerWaalsContact CZ-OE1 3.3Å; R274-E426 IonicContact CZ-OE2 3.03Å; R274-E426 VanDerWaalsContact NH1-CD 3.25Å; R274-E426 IonicContact NH1-OE1 3.45Å; R274-E426 PolarHBondContact NH1-OE1 2.48Å; R274-E426 IonicContact NH1-OE2 3.43Å; R274-E426 PolarHBondContact NH1-OE2 2.64Å; R274-E426 IonicContact NH2-OE1 2.73Å; R274-E426 PolarHBondContact NH2-OE1 3.36Å; R274-E426 IonicContact NH2-OE2 3.3Å; R274-E426 PolarHBondContact NH2-OE2 3.06Å; W277-E426 HydrophobicContact CB-CG 4.08Å; L278-E426 HydrophobicContact CD2-CB 3.76Å; L278-E426 HydrophobicContact CD2-CG 4.24Å; L278-E426 HydrophobicContact CG-CB 4.38Å; L278-E426 HydrophobicContact CG-CG 4.47Å; H281-E426 HydrophobicContact CB-CB 4.21Å; H281-E426 WeakPolarHBondContact ND1-CA 3.12Å; H281-E426 PolarHBondContact ND1-O 3.27Å; F424-E426 VanDerWaalsContact C-N 3.29Å; F424-E426 WeakPolarHBondContact CB-OE1 3.28Å; F424-E426 PolarHBondContact O-N 2.8Å; E426-Q428 VanDerWaalsContact C-N 3.28Å; E426-Q428 PolarHBondContact O-N 3.38Å |
| 427 | T | 98.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -85.3 | 0.7 | 176.6 | 70.1 | 0 | 0 | 0 | 0 | 113.7 | L271 W277 L300 P398 F424 S425 | L271-T427 HydrophobicContact CD1-CG2 3.93Å; L271-T427 HydrophobicContact CD2-CG2 3.51Å; L271-T427 HydrophobicContact CG-CG2 4.4Å; W277-T427 HydrophobicContact CD2-CG2 3.89Å; W277-T427 HydrophobicContact CE3-CG2 3.97Å; W277-T427 HydrophobicContact CG-CG2 4.34Å; W277-T427 HydrophobicContact CH2-CG2 4.45Å; W277-T427 HydrophobicContact CZ2-CG2 4.4Å; W277-T427 HydrophobicContact CZ3-CG2 4.25Å; L300-T427 HydrophobicContact CD2-CG2 3.77Å; P398-T427 VanDerWaalsContact CD-O 3.32Å; P398-T427 WeakPolarHBondContact CD-O 3.47Å; F424-T427 HydrophobicContact CB-CG2 3.81Å; F424-T427 PolarHBondContact O-N 2.83Å; F424-T427 VanDerWaalsContact O-N 3.11Å; F424-T427 PolarHBondContact O-OG1 3.46Å; S425-T427 PolarHBondContact O-N 2.8Å |
| 428 | Q | 98.6 | Very high | 96 | Very high | 38 Ų | 38 | 41.1 Ų | 41.1 | 18% | 0.178 | 23% | 0.229 | C | C | . | . | trans | -58.4 | 140 | 171.4 | -70.6 | 177.1 | 10.7 | 0 | 0 | 111.6 | T285 Y396 Q397 S425 E426 | T285-Q428 WeakPolarHBondContact CB-O 3.26Å; T285-Q428 PolarHBondContact OG1-O 3.09Å; Y396-Q428 VanDerWaalsContact O-CA 3.27Å; Y396-Q428 WeakPolarHBondContact O-CA 3.23Å; Q397-Q428 HydrophobicContact CB-CG 4.26Å; S425-Q428 WeakPolarHBondContact O-CB 3.49Å; S425-Q428 VanDerWaalsContact O-CG 3.24Å; S425-Q428 WeakPolarHBondContact O-CG 3.4Å; S425-Q428 PolarHBondContact O-N 2.84Å; E426-Q428 VanDerWaalsContact C-N 3.28Å; E426-Q428 PolarHBondContact O-N 3.38Å | ||
| 429 | F | 98.8 | Very high | 97.2 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.009 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 161.2 | 178.7 | 67.1 | -98.1 | 0 | 0 | 0 | 112.7 | T285 M287 V319 L374 L390 K395 Y396 P398 A431 | T285-F429 HydrophobicContact CG2-CB 3.8Å; T285-F429 CarbonylContact O-C 3.58Å; T285-F429 WeakPolarHBondContact O-CA 3.23Å; T285-F429 VanDerWaalsContact O-CB 3.25Å; T285-F429 WeakPolarHBondContact O-CB 3.46Å; M287-F429 HydrophobicContact CB-CD2 3.57Å; M287-F429 HydrophobicContact CB-CE2 3.81Å; M287-F429 HydrophobicContact CB-CG 4.11Å; M287-F429 HydrophobicContact CG-CB 3.82Å; M287-F429 HydrophobicContact CG-CD1 3.9Å; M287-F429 HydrophobicContact CG-CD2 3.48Å; M287-F429 VanDerWaalsContact CG-CD2 3.48Å; M287-F429 HydrophobicContact CG-CE1 4.3Å; M287-F429 HydrophobicContact CG-CE2 3.94Å; M287-F429 HydrophobicContact CG-CG 3.47Å; M287-F429 VanDerWaalsContact CG-CG 3.47Å; M287-F429 HydrophobicContact CG-CZ 4.32Å; V319-F429 HydrophobicContact CG1-CE1 4.41Å; V319-F429 HydrophobicContact CG1-CZ 4.07Å; L374-F429 HydrophobicContact CD1-CE2 3.94Å; L374-F429 HydrophobicContact CD1-CZ 3.72Å; L390-F429 HydrophobicContact CD1-CE2 3.71Å; L390-F429 HydrophobicContact CD1-CZ 3.76Å; K395-F429 CarbonylContact C-O 3.58Å; K395-F429 WeakPolarHBondContact CA-O 3.38Å; Y396-F429 HydrophobicContact CD2-CE2 4.12Å; Y396-F429 HydrophobicContact CG-CE2 4.42Å; Y396-F429 PolarHBondContact N-O 2.83Å; Y396-F429 PolarHBondContact O-N 3.1Å; Y396-F429 VanDerWaalsContact O-N 3.09Å; P398-F429 HydrophobicContact CG-CD1 4.22Å; P398-F429 HydrophobicContact CG-CE1 3.89Å; F429-A431 HydrophobicContact CE2-CB 4.19Å |
| 430 | I | 98.4 | Very high | 97.7 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 128.3 | 166.5 | -60.2 | 173.7 | 0 | 0 | 0 | 108.3 | T285 E286 M287 W327 W334 H394 K395 V432 | T285-I430 PolarHBondContact O-N 2.88Å; E286-I430 WeakPolarHBondContact CA-O 3.28Å; M287-I430 PolarHBondContact N-O 3.02Å; W327-I430 HydrophobicContact CD2-CD1 4.47Å; W334-I430 HydrophobicContact CB-CD1 4.31Å; W334-I430 HydrophobicContact CD2-CD1 3.46Å; W334-I430 VanDerWaalsContact CD2-CD1 3.46Å; W334-I430 HydrophobicContact CE3-CD1 3.8Å; W334-I430 HydrophobicContact CG-CD1 3.71Å; W334-I430 HydrophobicContact CH2-CD1 4.48Å; W334-I430 HydrophobicContact CH2-CG2 3.72Å; W334-I430 HydrophobicContact CZ2-CB 4.39Å; W334-I430 HydrophobicContact CZ2-CD1 4.23Å; W334-I430 HydrophobicContact CZ2-CG2 4.07Å; W334-I430 HydrophobicContact CZ3-CD1 4.29Å; W334-I430 HydrophobicContact CZ3-CG2 3.99Å; H394-I430 WeakPolarHBondContact O-CA 3.42Å; K395-I430 HydrophobicContact CB-CG1 4.12Å; K395-I430 HydrophobicContact CG-CG1 4.02Å; I430-V432 HydrophobicContact CG2-CG1 4.07Å |
| 431 | A | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 131.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | M287 I289 L390 Q391 S392 L393 H394 Y396 F429 | M287-A431 WeakPolarHBondContact O-CA 3.08Å; I289-A431 HydrophobicContact CD1-CB 4.28Å; I289-A431 HydrophobicContact CG2-CB 4.02Å; L390-A431 HydrophobicContact CB-CB 4.26Å; L390-A431 HydrophobicContact CD1-CB 4.06Å; Q391-A431 WeakPolarHBondContact O-CB 3.41Å; S392-A431 CarbonylContact C-O 3.55Å; L393-A431 PolarHBondContact N-O 2.98Å; H394-A431 PolarHBondContact O-N 2.9Å; Y396-A431 HydrophobicContact CD2-CB 3.85Å; Y396-A431 HydrophobicContact CE2-CB 3.71Å; F429-A431 HydrophobicContact CE2-CB 4.19Å |
| 432 | V | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 151.5 | -175.5 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | E286 M287 I288 I289 W334 L393 I430 A434 Y435 Q436 | E286-V432 HydrophobicContact CB-CG2 3.99Å; M287-V432 PolarHBondContact O-N 2.67Å; I288-V432 CarbonylContact C-O 3.53Å; I288-V432 VanDerWaalsContact CA-O 3.25Å; I288-V432 WeakPolarHBondContact CA-O 3.49Å; I288-V432 HydrophobicContact CD1-CG2 4.13Å; I289-V432 PolarHBondContact N-O 3.46Å; W334-V432 HydrophobicContact CH2-CG1 3.77Å; W334-V432 HydrophobicContact CZ2-CG1 4.01Å; L393-V432 HydrophobicContact CD2-CG1 4.48Å; I430-V432 HydrophobicContact CG2-CG1 4.07Å; V432-A434 WeakPolarHBondContact CB-O 3.27Å; V432-A434 WeakPolarHBondContact CG2-O 3.35Å; V432-Y435 HydrophobicContact CG2-CD1 4.45Å; V432-Q436 HydrophobicContact CG1-CG 4.25Å |
| 433 | T | 98 | Very high | 98 | Very high | 84 Ų | 84 | 40.1 Ų | 40.1 | 52% | 0.515 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -81.8 | -28.6 | 174 | 44.1 | 0 | 0 | 0 | 0 | 112.9 | I289 S392 | I289-T433 HydrophobicContact CG1-CG2 4.41Å; S392-T433 PolarHBondContact OG-N 2.86Å |
| 434 | A | 98.2 | Very high | 98.1 | Very high | 52 Ų | 52 | 36.8 Ų | 36.8 | 43% | 0.43 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -143.6 | 152.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | V432 Q436 | V432-A434 WeakPolarHBondContact CB-O 3.27Å; V432-A434 WeakPolarHBondContact CG2-O 3.35Å; A434-Q436 PolarHBondContact O-NE2 2.87Å |
| 435 | Y | 98.6 | Very high | 98 | Very high | 73 Ų | 73 | 36.6 Ų | 36.6 | 29% | 0.286 | 21% | 0.205 | S | C | . | . | trans | -62 | 143.6 | 179.3 | -63.9 | -58.9 | 0 | 0 | 0 | 111.5 | E286 I288 V432 I440 T441 K444 | E286-Y435 HydrophobicContact CB-CD1 4.02Å; E286-Y435 HydrophobicContact CB-CE1 4.36Å; E286-Y435 VanDerWaalsContact OE2-CA 3.23Å; E286-Y435 WeakPolarHBondContact OE2-CA 3.19Å; I288-Y435 HydrophobicContact CD1-CD1 3.97Å; I288-Y435 HydrophobicContact CD1-CD2 4.15Å; I288-Y435 HydrophobicContact CD1-CE1 3.89Å; I288-Y435 HydrophobicContact CD1-CE2 4.08Å; I288-Y435 HydrophobicContact CD1-CG 4.08Å; I288-Y435 HydrophobicContact CG1-CD1 4.14Å; I288-Y435 HydrophobicContact CG1-CD2 4.44Å; I288-Y435 HydrophobicContact CG1-CE1 3.52Å; I288-Y435 HydrophobicContact CG1-CE2 3.88Å; I288-Y435 WeakPolarHBondContact CG1-OH 3.38Å; V432-Y435 HydrophobicContact CG2-CD1 4.45Å; Y435-I440 HydrophobicContact CD1-CG2 4.22Å; Y435-I440 HydrophobicContact CE1-CG2 4.41Å; Y435-T441 WeakPolarHBondContact CB-OG1 3.49Å; Y435-T441 HydrophobicContact CD2-CG2 4.23Å; Y435-K444 HydrophobicContact CE1-CD 4.35Å; Y435-K444 HydrophobicContact CE1-CG 4.08Å; Y435-K444 HydrophobicContact CE2-CG 4.09Å; Y435-K444 WeakPolarHBondContact OH-CG 3.38Å | ||
| 436 | Q | 98.4 | Very high | 98 | Very high | 75 Ų | 75 | 37 Ų | 37 | 35% | 0.35 | 20% | 0.201 | S | C | . | . | trans | -107.8 | -46 | 179.4 | -53.2 | -62.3 | -70.6 | 0 | 0 | 110.5 | E286 F329 W334 V432 A434 | E286-Q436 PolarHBondContact OE2-N 2.95Å; F329-Q436 HydrophobicContact CB-CB 3.61Å; F329-Q436 HydrophobicContact CB-CG 4.12Å; F329-Q436 HydrophobicContact CD1-CB 3.8Å; F329-Q436 HydrophobicContact CD2-CB 4.38Å; F329-Q436 VanDerWaalsContact CE1-O 3.26Å; F329-Q436 WeakPolarHBondContact CE1-O 3.47Å; F329-Q436 HydrophobicContact CG-CB 3.7Å; W334-Q436 HydrophobicContact CH2-CB 4.22Å; W334-Q436 HydrophobicContact CH2-CG 3.67Å; W334-Q436 HydrophobicContact CZ2-CB 3.81Å; W334-Q436 HydrophobicContact CZ2-CG 3.72Å; V432-Q436 HydrophobicContact CG1-CG 4.25Å; A434-Q436 PolarHBondContact O-NE2 2.87Å | ||
| 437 | N | 97.7 | Very high | 97.9 | Very high | 15 Ų | 15 | 39.4 Ų | 39.4 | 8% | 0.08 | 21% | 0.213 | C | C | . | . | trans | -83.3 | 123.1 | 174.6 | -170.7 | -6.1 | 0 | 0 | 0 | 111.6 | H283 E286 F329 D439 I440 T441 | H283-N437 PolarHBondContact O-ND2 3.01Å; E286-N437 VanDerWaalsContact OE1-CB 3.23Å; E286-N437 WeakPolarHBondContact OE1-CB 3.5Å; E286-N437 PolarHBondContact OE1-N 3.38Å; F329-N437 HydrophobicContact CE2-CB 4.11Å; F329-N437 HydrophobicContact CZ-CB 3.91Å; N437-D439 VanDerWaalsContact C-N 3.32Å; N437-D439 PolarHBondContact O-N 3.13Å; N437-D439 WeakPolarHBondContact OD1-CB 3.26Å; N437-D439 PolarHBondContact OD1-N 3.24Å; N437-I440 HydrophobicContact CB-CB 4.14Å; N437-I440 HydrophobicContact CB-CG1 3.88Å; N437-I440 PolarHBondContact O-N 2.83Å; N437-T441 PolarHBondContact O-N 3.47Å; N437-T441 VanDerWaalsContact O-N 3.13Å; N437-T441 PolarHBondContact O-OG1 3.18Å | ||
| 438 | T | 97 | Very high | 97.8 | Very high | 101 Ų | 101 | 40.4 Ų | 40.4 | 62% | 0.62 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -63.5 | -35.4 | 174.5 | 43.6 | 0 | 0 | 0 | 0 | 112.6 | I440 T441 Q442 | T438-I440 VanDerWaalsContact C-N 3.34Å; T438-I440 PolarHBondContact O-N 3.32Å; T438-T441 WeakPolarHBondContact O-CA 3.25Å; T438-T441 WeakPolarHBondContact O-CB 3.39Å; T438-T441 PolarHBondContact O-N 3.3Å; T438-T441 VanDerWaalsContact O-N 3.12Å; T438-Q442 PolarHBondContact O-N 3.48Å |
| 439 | D | 97.4 | Very high | 97.7 | Very high | 74 Ų | 74 | 43.1 Ų | 43.1 | 40% | 0.396 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.5 | -43.9 | 178.5 | -55.8 | -7.9 | 0 | 0 | 0 | 110.8 | H283 N437 T441 Q442 L443 | H283-D439 HydrophobicContact CB-CB 4.33Å; H283-D439 IonicContact CE1-OD2 2.63Å; H283-D439 PolarHBondContact CE1-OD2 2.86Å; H283-D439 IonicContact CG-OD2 2.67Å; H283-D439 VanDerWaalsContact ND1-CB 3.34Å; H283-D439 WeakPolarHBondContact ND1-CB 3.12Å; H283-D439 IonicContact ND1-OD2 3.65Å; H283-D439 PolarHBondContact ND1-OD2 3.16Å; N437-D439 VanDerWaalsContact C-N 3.32Å; N437-D439 PolarHBondContact O-N 3.13Å; N437-D439 WeakPolarHBondContact OD1-CB 3.26Å; N437-D439 PolarHBondContact OD1-N 3.24Å; D439-T441 VanDerWaalsContact C-N 3.28Å; D439-T441 PolarHBondContact O-N 2.96Å; D439-Q442 PolarHBondContact O-N 3.36Å; D439-L443 WeakPolarHBondContact O-CB 3.49Å; D439-L443 WeakPolarHBondContact O-CG 3.13Å; D439-L443 PolarHBondContact O-N 2.9Å |
| 440 | I | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.3 | -44.3 | 174.5 | -67.1 | -70.4 | 0 | 0 | 0 | 109.2 | F280 H283 E286 Y435 N437 T438 Q442 L443 K444 | F280-I440 HydrophobicContact CD1-CD1 3.9Å; F280-I440 HydrophobicContact CD1-CG2 4.44Å; F280-I440 HydrophobicContact CE1-CG2 4.44Å; H283-I440 HydrophobicContact CB-CD1 3.63Å; H283-I440 HydrophobicContact CB-CG1 4Å; H283-I440 WeakPolarHBondContact O-CG1 3.48Å; E286-I440 HydrophobicContact CB-CG2 3.96Å; E286-I440 HydrophobicContact CG-CG1 4.36Å; E286-I440 HydrophobicContact CG-CG2 4.22Å; Y435-I440 HydrophobicContact CD1-CG2 4.22Å; Y435-I440 HydrophobicContact CE1-CG2 4.41Å; N437-I440 HydrophobicContact CB-CB 4.14Å; N437-I440 HydrophobicContact CB-CG1 3.88Å; N437-I440 PolarHBondContact O-N 2.83Å; T438-I440 VanDerWaalsContact C-N 3.34Å; T438-I440 PolarHBondContact O-N 3.32Å; I440-Q442 PolarHBondContact O-N 3.4Å; I440-L443 PolarHBondContact O-N 3.14Å; I440-K444 HydrophobicContact CG2-CG 4.45Å; I440-K444 VanDerWaalsContact O-CG 3.32Å; I440-K444 WeakPolarHBondContact O-CG 3.5Å; I440-K444 PolarHBondContact O-N 3.38Å |
| 441 | T | 97.6 | Very high | 97.3 | Very high | 40 Ų | 40 | 52.3 Ų | 52.3 | 25% | 0.245 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58 | -47.2 | 178.9 | -55 | 0 | 0 | 0 | 0 | 111.8 | Y435 N437 T438 D439 K444 I445 | Y435-T441 WeakPolarHBondContact CB-OG1 3.49Å; Y435-T441 HydrophobicContact CD2-CG2 4.23Å; N437-T441 PolarHBondContact O-N 3.47Å; N437-T441 VanDerWaalsContact O-N 3.13Å; N437-T441 PolarHBondContact O-OG1 3.18Å; T438-T441 WeakPolarHBondContact O-CA 3.25Å; T438-T441 WeakPolarHBondContact O-CB 3.39Å; T438-T441 PolarHBondContact O-N 3.3Å; T438-T441 VanDerWaalsContact O-N 3.12Å; D439-T441 VanDerWaalsContact C-N 3.28Å; D439-T441 PolarHBondContact O-N 2.96Å; T441-K444 WeakPolarHBondContact O-CB 3.41Å; T441-K444 PolarHBondContact O-N 2.96Å; T441-I445 HydrophobicContact CG2-CD1 4.2Å; T441-I445 WeakPolarHBondContact O-CG1 3.34Å; T441-I445 PolarHBondContact O-N 3.34Å |
| 442 | Q | 97.3 | Very high | 97 | Very high | 74 Ų | 74 | 58.4 Ų | 58.4 | 35% | 0.346 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.1 | -45.8 | 175.5 | -63.4 | -61.5 | -1.6 | 0 | 0 | 111.8 | T438 D439 I440 K444 I445 D446 | T438-Q442 PolarHBondContact O-N 3.48Å; D439-Q442 PolarHBondContact O-N 3.36Å; I440-Q442 PolarHBondContact O-N 3.4Å; Q442-K444 PolarHBondContact O-N 3.48Å; Q442-K444 VanDerWaalsContact O-N 3.15Å; Q442-I445 WeakPolarHBondContact O-CA 3.28Å; Q442-I445 WeakPolarHBondContact O-CB 3.47Å; Q442-I445 PolarHBondContact O-N 3.43Å; Q442-D446 VanDerWaalsContact O-CG 3.26Å; Q442-D446 PolarHBondContact O-N 2.91Å |
| 443 | L | 97.8 | Very high | 96.6 | Very high | 26 Ų | 26 | 61.3 Ų | 61.3 | 14% | 0.136 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -56.4 | -34.6 | 174.3 | -73 | 172.6 | 0 | 0 | 0 | 112.6 | K279 F280 D439 I440 H447 | K279-L443 HydrophobicContact CD-CD2 4.49Å; F280-L443 HydrophobicContact CD1-CB 4.08Å; F280-L443 HydrophobicContact CD1-CD1 4.3Å; F280-L443 HydrophobicContact CE1-CB 3.41Å; F280-L443 VanDerWaalsContact CE1-CB 3.41Å; F280-L443 HydrophobicContact CE1-CD1 4.46Å; F280-L443 VanDerWaalsContact CZ-C 3.5Å; F280-L443 HydrophobicContact CZ-CB 3.69Å; F280-L443 WeakPolarHBondContact CZ-O 3.46Å; D439-L443 WeakPolarHBondContact O-CB 3.49Å; D439-L443 WeakPolarHBondContact O-CG 3.13Å; D439-L443 PolarHBondContact O-N 2.9Å; I440-L443 PolarHBondContact O-N 3.14Å; L443-H447 WeakPolarHBondContact O-CB 3.08Å; L443-H447 PolarHBondContact O-N 2.91Å; L443-H447 PolarHBondContact O-ND1 3.27Å |
| 444 | K | 98.1 | Very high | 96.3 | Very high | 7 Ų | 7 | 64.2 Ų | 64.2 | 3% | 0.03 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.9 | -48.1 | 170.7 | -57.3 | -61.2 | -179.7 | -160.7 | 0 | 111 | F280 E286 F297 Y435 I440 T441 Q442 N448 | F280-K444 HydrophobicContact CE1-CD 3.58Å; F280-K444 HydrophobicContact CE1-CG 4.2Å; F280-K444 HydrophobicContact CZ-CD 3.83Å; E286-K444 VanDerWaalsContact O-CE 3.29Å; E286-K444 WeakPolarHBondContact O-CE 3.32Å; E286-K444 PolarHBondContact O-NZ 3.18Å; F297-K444 HydrophobicContact CD1-CD 3.85Å; F297-K444 PolarHBondContact O-NZ 3.29Å; Y435-K444 HydrophobicContact CE1-CD 4.35Å; Y435-K444 HydrophobicContact CE1-CG 4.08Å; Y435-K444 HydrophobicContact CE2-CG 4.09Å; Y435-K444 WeakPolarHBondContact OH-CG 3.38Å; I440-K444 HydrophobicContact CG2-CG 4.45Å; I440-K444 VanDerWaalsContact O-CG 3.32Å; I440-K444 WeakPolarHBondContact O-CG 3.5Å; I440-K444 PolarHBondContact O-N 3.38Å; T441-K444 WeakPolarHBondContact O-CB 3.41Å; T441-K444 PolarHBondContact O-N 2.96Å; Q442-K444 PolarHBondContact O-N 3.48Å; Q442-K444 VanDerWaalsContact O-N 3.15Å; K444-N448 WeakPolarHBondContact O-CB 3.45Å; K444-N448 PolarHBondContact O-N 2.74Å |
| 445 | I | 97.1 | Very high | 95.9 | Very high | 25 Ų | 25 | 65.4 Ų | 65.4 | 13% | 0.128 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.3 | -49.2 | -178.9 | -69.8 | 165.7 | 0 | 0 | 0 | 110.6 | T441 Q442 H447 F454 R455 | T441-I445 HydrophobicContact CG2-CD1 4.2Å; T441-I445 WeakPolarHBondContact O-CG1 3.34Å; T441-I445 PolarHBondContact O-N 3.34Å; Q442-I445 WeakPolarHBondContact O-CA 3.28Å; Q442-I445 WeakPolarHBondContact O-CB 3.47Å; Q442-I445 PolarHBondContact O-N 3.43Å; I445-H447 PolarHBondContact O-N 2.86Å; I445-F454 HydrophobicContact CD1-CB 4.11Å; I445-F454 HydrophobicContact CG1-CB 4.07Å; I445-F454 HydrophobicContact CG2-CB 3.97Å; I445-R455 HydrophobicContact CG2-CB 4.43Å; I445-R455 HydrophobicContact CG2-CG 3.54Å; I445-R455 PolarHBondContact O-NE 3.38Å; I445-R455 PolarHBondContact O-NH2 2.99Å |
| 446 | D | 96.7 | Very high | 94.9 | Very high | 79 Ų | 79 | 66.6 Ų | 66.6 | 42% | 0.422 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.9 | -37.2 | -177.4 | -65.3 | -22.8 | 0 | 0 | 0 | 114.3 | Q442 R455 | Q442-D446 VanDerWaalsContact O-CG 3.26Å; Q442-D446 PolarHBondContact O-N 2.91Å; D446-R455 PolarHBondContact O-NH1 3.22Å; D446-R455 VanDerWaalsContact O-NH1 3.14Å; D446-R455 PolarHBondContact O-NH2 3.47Å |
| 447 | H | 96.9 | Very high | 93.3 | Very high | 57 Ų | 57 | 68.1 Ų | 68.1 | 26% | 0.264 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -107 | -21 | -170.4 | -58.7 | 84 | 0 | 0 | 0 | 113.5 | L276 K279 F297 L443 I445 P449 | L276-H447 HydrophobicContact CD1-CB 3.96Å; L276-H447 WeakPolarHBondContact CD1-CD2 3.5Å; L276-H447 HydrophobicContact CD2-CB 4.41Å; K279-H447 PolarHBondContact NZ-NE2 3.43Å; F297-H447 HydrophobicContact CE1-CB 3.94Å; F297-H447 HydrophobicContact CZ-CB 3.86Å; F297-H447 VanDerWaalsContact CZ-O 3.28Å; F297-H447 WeakPolarHBondContact CZ-O 3.46Å; L443-H447 WeakPolarHBondContact O-CB 3.08Å; L443-H447 PolarHBondContact O-N 2.91Å; L443-H447 PolarHBondContact O-ND1 3.27Å; I445-H447 PolarHBondContact O-N 2.86Å; H447-P449 WeakPolarHBondContact O-CD 3.19Å |
| 448 | N | 97 | Very high | 91.5 | Very high | 22 Ų | 22 | 73 Ų | 73 | 12% | 0.118 | 38% | 0.377 | C | S | . | . | trans | -87 | 119.2 | 179.1 | -173 | -6.5 | 0 | 0 | 0 | 111.1 | F297 K444 F450 A451 R455 | F297-N448 HydrophobicContact CD1-CB 3.94Å; F297-N448 HydrophobicContact CD2-CB 3.95Å; F297-N448 HydrophobicContact CE1-CB 3.86Å; F297-N448 HydrophobicContact CE2-CB 3.87Å; F297-N448 HydrophobicContact CG-CB 4Å; F297-N448 HydrophobicContact CZ-CB 3.84Å; K444-N448 WeakPolarHBondContact O-CB 3.45Å; K444-N448 PolarHBondContact O-N 2.74Å; N448-F450 PolarHBondContact O-N 3.27Å; N448-F450 WeakPolarHBondContact OD1-CD2 3.28Å; N448-F450 PolarHBondContact OD1-N 3Å; N448-F450 VanDerWaalsContact OD1-N 3.09Å; N448-A451 HydrophobicContact CB-CB 4.07Å; N448-A451 PolarHBondContact O-N 2.81Å; N448-R455 PolarHBondContact O-NH2 3.03Å | ||
| 449 | P | 95.4 | Very high | 89.8 | Confident | 96 Ų | 96 | 73.5 Ų | 73.5 | 62% | 0.623 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -57.4 | -35.6 | 177.3 | -25.4 | 35.5 | 0 | 0 | 0 | 113.1 | H447 A451 K452 | H447-P449 WeakPolarHBondContact O-CD 3.19Å; P449-A451 PolarHBondContact O-N 3.49Å; P449-K452 PolarHBondContact O-N 3.13Å |
| 450 | F | 94.9 | Very high | 88.2 | Confident | 184 Ų | 184 | 73.4 Ų | 73.4 | 81% | 0.807 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -73.9 | -0.9 | 179.3 | -57.9 | -74.7 | 0 | 0 | 0 | 113.9 | N448 | N448-F450 PolarHBondContact O-N 3.27Å; N448-F450 WeakPolarHBondContact OD1-CD2 3.28Å; N448-F450 PolarHBondContact OD1-N 3Å; N448-F450 VanDerWaalsContact OD1-N 3.09Å |
| 451 | A | 94.4 | Very high | 86.2 | Confident | 14 Ų | 14 | 78.3 Ų | 78.3 | 12% | 0.116 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -112.5 | 7.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N448 P449 G453 F454 | N448-A451 HydrophobicContact CB-CB 4.07Å; N448-A451 PolarHBondContact O-N 2.81Å; P449-A451 PolarHBondContact O-N 3.49Å; A451-G453 VanDerWaalsContact C-N 3.3Å; A451-G453 PolarHBondContact O-N 2.97Å; A451-F454 PolarHBondContact O-N 2.97Å; A451-F454 VanDerWaalsContact O-N 3.08Å |
| 452 | K | 90.9 | Very high | 84.2 | Confident | 128 Ų | 128 | 84.5 Ų | 84.5 | 56% | 0.557 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -51 | -44.5 | -173.4 | -171.6 | -171 | 172 | -168.8 | 0 | 113.5 | P449 F454 R455 | P449-K452 PolarHBondContact O-N 3.13Å; K452-F454 PolarHBondContact O-N 3.1Å; K452-R455 WeakPolarHBondContact O-CB 3.48Å; K452-R455 WeakPolarHBondContact O-CG 3.47Å; K452-R455 PolarHBondContact O-N 3.46Å |
| 453 | G | 91.7 | Very high | 82.4 | Confident | 61 Ų | 61 | 86 Ų | 86 | 63% | 0.629 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -63.4 | -8.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116 | A451 | A451-G453 VanDerWaalsContact C-N 3.3Å; A451-G453 PolarHBondContact O-N 2.97Å |
| 454 | F | 90.6 | Very high | 80.2 | Confident | 145 Ų | 145 | 88.2 Ų | 88.2 | 64% | 0.636 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -91.1 | -7.2 | 173.1 | -64.8 | -76.1 | 0 | 0 | 0 | 113.8 | I445 A451 K452 | I445-F454 HydrophobicContact CD1-CB 4.11Å; I445-F454 HydrophobicContact CG1-CB 4.07Å; I445-F454 HydrophobicContact CG2-CB 3.97Å; A451-F454 PolarHBondContact O-N 2.97Å; A451-F454 VanDerWaalsContact O-N 3.08Å; K452-F454 PolarHBondContact O-N 3.1Å |
| 455 | R | 91.2 | Very high | 78.1 | Confident | 78 Ų | 78 | 92.6 Ų | 92.6 | 29% | 0.294 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -57.8 | 177.9 | -61.9 | 168.8 | -163.8 | -161.9 | 3.4 | 110.6 | I445 D446 N448 K452 N457 Y458 | I445-R455 HydrophobicContact CG2-CB 4.43Å; I445-R455 HydrophobicContact CG2-CG 3.54Å; I445-R455 PolarHBondContact O-NE 3.38Å; I445-R455 PolarHBondContact O-NH2 2.99Å; D446-R455 PolarHBondContact O-NH1 3.22Å; D446-R455 VanDerWaalsContact O-NH1 3.14Å; D446-R455 PolarHBondContact O-NH2 3.47Å; N448-R455 PolarHBondContact O-NH2 3.03Å; K452-R455 WeakPolarHBondContact O-CB 3.48Å; K452-R455 WeakPolarHBondContact O-CG 3.47Å; K452-R455 PolarHBondContact O-N 3.46Å; R455-N457 PolarHBondContact O-N 3.33Å; R455-N457 VanDerWaalsContact O-N 3.08Å; R455-Y458 WeakPolarHBondContact O-CB 3.43Å; R455-Y458 PolarHBondContact O-N 3.23Å |
| 456 | D | 76.8 | Confident | 75.7 | Confident | 97 Ų | 97 | 98.2 Ų | 98.2 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.4 | -24.5 | -169.5 | -42.9 | -27.8 | 0 | 0 | 0 | 112.3 | Y458 S460 | D456-Y458 VanDerWaalsContact C-N 3.3Å; D456-Y458 PolarHBondContact O-N 2.87Å; D456-S460 WeakPolarHBondContact O-CB 3.4Å; D456-S460 PolarHBondContact O-N 2.91Å |
| 457 | N | 64.9 | Low | 73.8 | Confident | 108 Ų | 108 | 102.9 Ų | 102.9 | 58% | 0.578 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68.8 | -24.4 | 174.5 | -162.1 | 114.3 | 0 | 0 | 0 | 113 | R455 M461 | R455-N457 PolarHBondContact O-N 3.33Å; R455-N457 VanDerWaalsContact O-N 3.08Å; N457-M461 WeakPolarHBondContact O-CG 3.31Å; N457-M461 PolarHBondContact O-N 2.85Å |
| 458 | Y | 60.6 | Low | 71.8 | Confident | 117 Ų | 117 | 106.4 Ų | 106.4 | 46% | 0.459 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -77 | -43.1 | -178 | -154.1 | -80 | 0 | 0 | 0 | 111.9 | R455 D456 M461 Y462 | R455-Y458 WeakPolarHBondContact O-CB 3.43Å; R455-Y458 PolarHBondContact O-N 3.23Å; D456-Y458 VanDerWaalsContact C-N 3.3Å; D456-Y458 PolarHBondContact O-N 2.87Å; Y458-M461 HydrophobicContact CD1-CE 4.13Å; Y458-M461 HydrophobicContact CD2-CE 3.35Å; Y458-M461 HydrophobicContact CE1-CE 4.25Å; Y458-M461 HydrophobicContact CE2-CE 3.5Å; Y458-M461 HydrophobicContact CG-CE 3.68Å; Y458-M461 WeakPolarHBondContact O-CG 3.32Å; Y458-Y462 HydrophobicContact CD1-CD2 4.38Å; Y458-Y462 HydrophobicContact CE1-CD2 4.11Å; Y458-Y462 HydrophobicContact CE1-CE2 4Å |
| 459 | D | 60 | Low | 69.6 | Low | 112 Ų | 112 | 113.4 Ų | 113.4 | 60% | 0.599 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.1 | -41.9 | 174.5 | -69 | -34.3 | 0 | 0 | 0 | 111.4 | M461 Y462 T463 | D459-M461 PolarHBondContact O-N 2.78Å; D459-Y462 PolarHBondContact O-N 2.83Å; D459-T463 WeakPolarHBondContact O-CB 3.35Å; D459-T463 WeakPolarHBondContact O-CG2 3.17Å; D459-T463 PolarHBondContact O-N 2.89Å; D459-T463 PolarHBondContact O-OG1 3.13Å |
| 460 | S | 63.9 | Low | 67.6 | Low | 71 Ų | 71 | 116.2 Ų | 116.2 | 50% | 0.497 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -57.7 | -45.6 | -178 | -174.7 | 0 | 0 | 0 | 0 | 112.7 | D456 Y462 T463 A464 | D456-S460 WeakPolarHBondContact O-CB 3.4Å; D456-S460 PolarHBondContact O-N 2.91Å; S460-Y462 VanDerWaalsContact C-N 3.25Å; S460-Y462 PolarHBondContact O-N 3.24Å; S460-T463 PolarHBondContact O-N 3.39Å; S460-A464 VanDerWaalsContact O-CB 3.22Å; S460-A464 WeakPolarHBondContact O-CB 3.37Å; S460-A464 PolarHBondContact O-N 2.82Å; S460-A464 VanDerWaalsContact O-N 3.11Å |
| 461 | M | 57.3 | Low | 65.5 | Low | 104 Ų | 104 | 112.2 Ų | 112.2 | 51% | 0.512 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -71.4 | -12.9 | -177.7 | 67.3 | 174.3 | 172.7 | 0 | 0 | 115.2 | N457 Y458 D459 | N457-M461 WeakPolarHBondContact O-CG 3.31Å; N457-M461 PolarHBondContact O-N 2.85Å; Y458-M461 HydrophobicContact CD1-CE 4.13Å; Y458-M461 HydrophobicContact CD2-CE 3.35Å; Y458-M461 HydrophobicContact CE1-CE 4.25Å; Y458-M461 HydrophobicContact CE2-CE 3.5Å; Y458-M461 HydrophobicContact CG-CE 3.68Å; Y458-M461 WeakPolarHBondContact O-CG 3.32Å; D459-M461 PolarHBondContact O-N 2.78Å |
| 462 | Y | 55.4 | Low | 63.3 | Low | 170 Ų | 170 | 117.4 Ų | 117.4 | 67% | 0.667 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -111.2 | -16 | 175.9 | -77.8 | -71.9 | 0 | 0 | 0 | 114.2 | Y458 D459 S460 | Y458-Y462 HydrophobicContact CD1-CD2 4.38Å; Y458-Y462 HydrophobicContact CE1-CD2 4.11Å; Y458-Y462 HydrophobicContact CE1-CE2 4Å; D459-Y462 PolarHBondContact O-N 2.83Å; S460-Y462 VanDerWaalsContact C-N 3.25Å; S460-Y462 PolarHBondContact O-N 3.24Å |
| 463 | T | 58.4 | Low | 61.2 | Low | 105 Ų | 105 | 116.2 Ų | 116.2 | 64% | 0.644 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -95.9 | -18.8 | 175.9 | 54.2 | 0 | 0 | 0 | 0 | 113.4 | D459 S460 S465 | D459-T463 WeakPolarHBondContact O-CB 3.35Å; D459-T463 WeakPolarHBondContact O-CG2 3.17Å; D459-T463 PolarHBondContact O-N 2.89Å; D459-T463 PolarHBondContact O-OG1 3.13Å; S460-T463 PolarHBondContact O-N 3.39Å; T463-S465 PolarHBondContact O-N 3.43Å |
| 464 | A | 52.7 | Low | 59.1 | Low | 73 Ų | 73 | 119.3 Ų | 119.3 | 60% | 0.603 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 76.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S460 | S460-A464 VanDerWaalsContact O-CB 3.22Å; S460-A464 WeakPolarHBondContact O-CB 3.37Å; S460-A464 PolarHBondContact O-N 2.82Å; S460-A464 VanDerWaalsContact O-N 3.11Å |
| 465 | S | 52.8 | Low | 57.2 | Low | 98 Ų | 98 | 118.3 Ų | 118.3 | 69% | 0.685 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -171.7 | 19.3 | 153.2 | 38.6 | 0 | 0 | 0 | 0 | 118.2 | T463 | T463-S465 PolarHBondContact O-N 3.43Š|
| 466 | E | 47.7 | Very low | 55.1 | Low | 144 Ų | 144 | 121.9 Ų | 121.9 | 67% | 0.673 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -100.2 | -31.7 | 166.8 | -68.4 | -140.4 | 107.6 | 0 | 0 | 114.4 | D468 R469 | E466-D468 PolarHBondContact O-N 2.98Å; E466-R469 IonicContact OE1-NH1 2.64Å; E466-R469 PolarHBondContact OE1-NH1 3.4Å |
| 467 | N | 57.2 | Low | 53.7 | Low | 177 Ų | 177 | 120.9 Ų | 120.9 | 95% | 0.947 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -4.7 | -179 | -73.4 | -36.1 | 0 | 0 | 0 | 115.1 | ||
| 468 | D | 53.8 | Low | 52.9 | Low | 131 Ų | 131 | 122.1 Ų | 122.1 | 70% | 0.701 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117 | 21.2 | -179.7 | -139.9 | -14.3 | 0 | 0 | 0 | 112.6 | E466 L470 | E466-D468 PolarHBondContact O-N 2.98Å; D468-L470 VanDerWaalsContact C-N 3.27Å; D468-L470 PolarHBondContact O-N 3.1Å |
| 469 | R | 51.4 | Low | 52.5 | Low | 168 Ų | 168 | 128 Ų | 128 | 63% | 0.634 | 71% | 0.705 | S | S | * | * | trans | -73.9 | 81 | 167.8 | -91.4 | -177.3 | 164.9 | 149.7 | -3.8 | 110.3 | E466 T471 | E466-R469 IonicContact OE1-NH1 2.64Å; E466-R469 PolarHBondContact OE1-NH1 3.4Å; R469-T471 PolarHBondContact O-N 2.97Å | ||
| 470 | L | 52.7 | Low | 51.8 | Low | 156 Ų | 156 | 127.7 Ų | 127.7 | 82% | 0.817 | 71% | 0.712 | S | S | * | * | trans | -68.5 | 21.3 | 168.2 | -66 | 176.2 | 0 | 0 | 0 | 114.2 | D468 | D468-L470 VanDerWaalsContact C-N 3.27Å; D468-L470 PolarHBondContact O-N 3.1Å | ||
| 471 | T | 50.4 | Low | 51 | Low | 99 Ų | 99 | 133.1 Ų | 133.1 | 61% | 0.607 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -108.8 | 101.3 | 168.8 | 52.9 | 0 | 0 | 0 | 0 | 108.8 | R469 S473 | R469-T471 PolarHBondContact O-N 2.97Å; T471-S473 PolarHBondContact O-N 2.84Å; T471-S473 VanDerWaalsContact O-N 3.16Å |
| 472 | P | 49.5 | Very low | 50.7 | Low | 123 Ų | 123 | 136.7 Ų | 136.7 | 80% | 0.799 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 120 | 171 | 26.3 | -32.6 | 0 | 0 | 0 | 108.8 | ||
| 473 | S | 45.5 | Very low | 50.1 | Low | 103 Ų | 103 | 136.1 Ų | 136.1 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 132.7 | 173 | -62.2 | 0 | 0 | 0 | 0 | 109.3 | T471 T475 | T471-S473 PolarHBondContact O-N 2.84Å; T471-S473 VanDerWaalsContact O-N 3.16Å; S473-T475 PolarHBondContact O-N 3.17Å |
| 474 | P | 48.6 | Very low | 49.5 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 131.3 | -175 | 24.6 | -33.8 | 0 | 0 | 0 | 110.2 | D476 | P474-D476 PolarHBondContact O-N 2.94Š|
| 475 | T | 51.2 | Low | 49.2 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 123.5 | -172 | -45 | 0 | 0 | 0 | 0 | 111.2 | S473 S477 | S473-T475 PolarHBondContact O-N 3.17Å; T475-S477 PolarHBondContact O-N 3.36Å; T475-S477 VanDerWaalsContact O-N 3.13Å; T475-S477 PolarHBondContact O-OG 3.32Å |
| 476 | D | 47 | Very low | 48.4 | Very low | 153 Ų | 153 | 139 Ų | 139 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 119.5 | -180 | -161.2 | -17.6 | 0 | 0 | 0 | 110.1 | P474 | P474-D476 PolarHBondContact O-N 2.94Š|
| 477 | S | 46.6 | Very low | 48 | Very low | 76 Ų | 76 | 135.9 Ų | 135.9 | 53% | 0.531 | 78% | 0.781 | S | S | . | * | trans | -128.7 | 105.2 | -163.2 | -71.9 | 0 | 0 | 0 | 0 | 109.1 | T475 R479 | T475-S477 PolarHBondContact O-N 3.36Å; T475-S477 VanDerWaalsContact O-N 3.13Å; T475-S477 PolarHBondContact O-OG 3.32Å; S477-R479 PolarHBondContact O-N 3.04Å | ||
| 478 | P | 48.6 | Very low | 47.2 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 52.1 | -161.8 | 33.4 | -38.9 | 0 | 0 | 0 | 113.6 | ||
| 479 | R | 50.8 | Low | 46.6 | Very low | 240 Ų | 240 | 143.9 Ų | 143.9 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.3 | 7.6 | -173.3 | -143 | -176.9 | 174.6 | 93.1 | 2.2 | 116.8 | S477 | S477-R479 PolarHBondContact O-N 3.04Š|
| 480 | S | 46.4 | Very low | 45.8 | Very low | 105 Ų | 105 | 139.1 Ų | 139.1 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -101.1 | 44.3 | -176.9 | 49.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 481 | H | 47.6 | Very low | 44.9 | Very low | 185 Ų | 185 | 138.2 Ų | 138.2 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | -119.4 | 76.8 | 173.8 | -77.2 | -45.1 | 0 | 0 | 0 | 113.1 | ||||
| 482 | Q | 49.7 | Very low | 44.2 | Very low | 180 Ų | 180 | 139.9 Ų | 139.9 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | trans | -168.7 | 157.6 | 154 | -115.4 | 169.7 | 36.2 | 0 | 0 | 112.5 | ||||
| 483 | I | 44.3 | Very low | 43.1 | Very low | 158 Ų | 158 | 139.4 Ų | 139.4 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | 72.8 | 122.4 | 172.3 | -53.4 | 150.4 | 0 | 0 | 0 | 114.2 | ||||
| 484 | V | 45.9 | Very low | 42.5 | Very low | 132 Ų | 132 | 142.9 Ų | 142.9 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | cis | -156.1 | 160.5 | -11.3 | 113.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 485 | P | 45.8 | Very low | 42.1 | Very low | 124 Ų | 124 | 146.3 Ų | 146.3 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | trans | -114.5 | 166.4 | -161.2 | 40.9 | -33.9 | 0 | 0 | 0 | 117.9 | ||||
| 486 | G | 36.2 | Very low | 41.9 | Very low | 80 Ų | 80 | 145.7 Ų | 145.7 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | 137.5 | 112.9 | 135.1 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 487 | G | 37.9 | Very low | 41 | Very low | 78 Ų | 78 | 146.8 Ų | 146.8 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | 89.1 | 152.4 | 152.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 488 | R | 41.9 | Very low | 40.9 | Very low | 245 Ų | 245 | 147.6 Ų | 147.6 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | cis | -143.3 | 170.9 | 4.5 | -52 | -172.5 | -157.8 | -99 | 5.6 | 112.7 | ||||
| 489 | Y | 40.3 | Very low | 40.4 | Very low | 232 Ų | 232 | 150 Ų | 150 | 91% | 0.91 | 80% | 0.798 | S | S | * | * | trans | -44.7 | 160.7 | 179 | -56.6 | -90.2 | 0 | 0 | 0 | 117.7 | ||||
| 490 | G | 35.2 | Very low | 39.6 | Very low | 67 Ų | 67 | 144 Ų | 144 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | cis | -161.3 | -146.7 | 5.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 491 | V | 34.2 | Very low | 38.7 | Very low | 138 Ų | 138 | 145.9 Ų | 145.9 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | cis | -154.2 | 113.8 | 1.7 | 176.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 492 | Q | 35.6 | Very low | 38 | Very low | 134 Ų | 134 | 143.1 Ų | 143.1 | 63% | 0.626 | 79% | 0.786 | S | S | * | * | 65 | 105.7 | 97.2 | -112.5 | -65.1 | 18 | 0 | 0 | 118.5 | |||||
| 493 | S | 26.5 | Very low | 37.4 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | 179.1 | 147.5 | 140.4 | -76.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 494 | F | 31.1 | Very low | 37.4 | Very low | 176 Ų | 176 | 140.4 Ų | 140.4 | 77% | 0.772 | 79% | 0.785 | S | S | * | * | cis | -158.5 | 148.3 | -36.6 | -130.5 | -80.2 | 0 | 0 | 0 | 106.6 | ||||
| 495 | F | 41.3 | Very low | 37 | Very low | 197 Ų | 197 | 143.3 Ų | 143.3 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | -83.2 | 179.9 | -177.9 | -90.8 | -92.4 | 0 | 0 | 0 | 112.2 | ||||
| 496 | P | 47.5 | Very low | 36.2 | Very low | 112 Ų | 112 | 141.8 Ų | 141.8 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | cis | -143.8 | 172.3 | 19.5 | 44 | -25 | 0 | 0 | 0 | 119.8 | ||||
| 497 | E | 27.3 | Very low | 36 | Very low | 175 Ų | 175 | 149.2 Ų | 149.2 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -153.2 | 141.8 | 141.1 | -156.8 | 67.8 | -90.9 | 0 | 0 | 108.2 | ||||
| 498 | P | 45.1 | Very low | 35.7 | Very low | 93 Ų | 93 | 155.7 Ų | 155.7 | 60% | 0.604 | 79% | 0.793 | S | S | * | * | trans | -115.1 | 138.2 | -155.6 | 40.2 | -33.4 | 0 | 0 | 0 | 119.5 | ||||
| 499 | F | 37 | Very low | 35.5 | Very low | 186 Ų | 186 | 153.2 Ų | 153.2 | 82% | 0.816 | 79% | 0.785 | S | S | * | * | trans | 68.4 | 113 | 132.3 | -84.7 | -108.8 | 0 | 0 | 0 | 124.2 | ||||
| 500 | V | 34 | Very low | 35 | Very low | 115 Ų | 115 | 149.5 Ų | 149.5 | 70% | 0.697 | 78% | 0.78 | S | S | * | * | trans | 67.3 | 162 | 133.4 | -49.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 501 | N | 28.9 | Very low | 34.7 | Very low | 144 Ų | 144 | 149.4 Ų | 149.4 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | cis | -149.3 | -173.3 | 14 | -138.9 | -16.3 | 0 | 0 | 0 | 115.1 | ||||
| 502 | T | 31.6 | Very low | 34.8 | Very low | 127 Ų | 127 | 151 Ų | 151 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | -95.8 | 168.8 | -164.8 | 35.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 503 | L | 37.1 | Very low | 34.7 | Very low | 153 Ų | 153 | 155 Ų | 155 | 80% | 0.801 | 79% | 0.788 | S | S | * | * | trans | -42.9 | 159.7 | 167.4 | -89.5 | 132.9 | 0 | 0 | 0 | 116.9 | ||||
| 504 | P | 44.1 | Very low | 34.9 | Very low | 128 Ų | 128 | 155.7 Ų | 155.7 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | -154 | -169 | 71.1 | 42.4 | -20.2 | 0 | 0 | 0 | 118.8 | |||||
| 505 | Q | 38.2 | Very low | 35.3 | Very low | 192 Ų | 192 | 153.6 Ų | 153.6 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | trans | -88.2 | 157.5 | -169.3 | -59.1 | 169.3 | -72.2 | 0 | 0 | 116.9 | ||||
| 506 | A | 30 | Very low | 35.4 | Very low | 92 Ų | 92 | 150 Ų | 150 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | -165 | 163.4 | 159 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 507 | R | 31.9 | Very low | 34.9 | Very low | 237 Ų | 237 | 152.9 Ų | 152.9 | 89% | 0.894 | 79% | 0.788 | S | S | * | * | cis | -126.5 | -109.1 | -3.6 | -73.6 | -172.8 | 172.2 | -175.7 | -2.5 | 112.7 | ||||
| 508 | Y | 31.6 | Very low | 35.1 | Very low | 213 Ų | 213 | 151.3 Ų | 151.3 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | -163 | 161.4 | -157.1 | -106.5 | -93.4 | 0 | 0 | 0 | 114.9 | ||||
| 509 | Y | 36.1 | Very low | 34.4 | Very low | 193 Ų | 193 | 154.5 Ų | 154.5 | 76% | 0.757 | 80% | 0.803 | S | S | * | * | trans | 89 | 123.1 | 146.8 | -96.7 | -61.4 | 0 | 0 | 0 | 125.2 | ||||
| 510 | N | 31.1 | Very low | 34 | Very low | 154 Ų | 154 | 149.3 Ų | 149.3 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | 54.3 | 150.6 | 149.4 | -96.7 | -35.1 | 0 | 0 | 0 | 121.5 | ||||
| 511 | G | 28.7 | Very low | 33.9 | Very low | 65 Ų | 65 | 151.9 Ų | 151.9 | 67% | 0.67 | 81% | 0.811 | S | S | * | * | cis | -170.4 | 174.6 | 0.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 512 | E | 35.5 | Very low | 34 | Very low | 173 Ų | 173 | 153.5 Ų | 153.5 | 81% | 0.808 | 82% | 0.819 | S | S | * | * | trans | -91.5 | 178.3 | -167.6 | -58.2 | -176.7 | 115.3 | 0 | 0 | 117 | ||||
| 513 | R | 33.2 | Very low | 33.9 | Very low | 218 Ų | 218 | 152.5 Ų | 152.5 | 82% | 0.823 | 82% | 0.817 | S | S | * | * | trans | 89 | 145.2 | 161.3 | -55.4 | -177.6 | -173.2 | -137.7 | -3.3 | 116 | ||||
| 514 | T | 32.1 | Very low | 34.6 | Very low | 126 Ų | 126 | 150.4 Ų | 150.4 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | cis | -158.2 | 164.5 | -5 | 7.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 515 | V | 38.4 | Very low | 34.1 | Very low | 132 Ų | 132 | 152.1 Ų | 152.1 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | trans | -95.5 | 146.1 | 168.3 | -176.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 516 | P | 43.2 | Very low | 33.7 | Very low | 121 Ų | 121 | 150.3 Ų | 150.3 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | trans | -136.4 | 159.4 | 135.5 | 37.3 | -26.1 | 0 | 0 | 0 | 114.2 | ||||
| 517 | Q | 37.3 | Very low | 33.7 | Very low | 174 Ų | 174 | 150.2 Ų | 150.2 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | -91.5 | 157.1 | 170.3 | -63.9 | 177.8 | -16.5 | 0 | 0 | 111.7 | ||||
| 518 | T | 31.7 | Very low | 33.8 | Very low | 142 Ų | 142 | 147.9 Ų | 147.9 | 87% | 0.871 | 79% | 0.794 | S | S | * | * | trans | -145.8 | 138.3 | 153.2 | 53 | 0 | 0 | 0 | 0 | 111 | ||||
| 519 | N | 31.1 | Very low | 33.8 | Very low | 159 Ų | 159 | 145.9 Ų | 145.9 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -88.3 | 160.8 | 173.3 | -79.7 | -54.9 | 0 | 0 | 0 | 112.4 | ||||
| 520 | G | 27.6 | Very low | 33.5 | Very low | 78 Ų | 78 | 143 Ų | 143 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -144.2 | 133.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 521 | L | 32.3 | Very low | 33.5 | Very low | 169 Ų | 169 | 139.6 Ų | 139.6 | 89% | 0.885 | 79% | 0.788 | S | S | * | * | trans | -111.7 | 155.2 | -167.4 | -67 | 166.6 | 0 | 0 | 0 | 112.8 | ||||
| 522 | L | 32 | Very low | 33.5 | Very low | 177 Ų | 177 | 144.2 Ų | 144.2 | 93% | 0.927 | 80% | 0.797 | S | S | * | * | trans | -157.5 | 163.7 | 133.3 | -104.9 | 171.1 | 0 | 0 | 0 | 110.2 | ||||
| 523 | S | 28.1 | Very low | 33.8 | Very low | 106 Ų | 106 | 141.3 Ų | 141.3 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | -144 | -175.1 | -166.6 | -127.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 524 | P | 52.7 | Low | 35.1 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 71% | 0.708 | 79% | 0.788 | S | S | * | * | cis | -144.2 | 160.2 | 26.3 | 41.5 | -21.3 | 0 | 0 | 0 | 120.1 | ||||
| 525 | Q | 32.8 | Very low | 35 | Very low | 165 Ų | 165 | 137.8 Ų | 137.8 | 77% | 0.771 | 79% | 0.787 | S | S | * | * | trans | 63.5 | 154.9 | 147.7 | -74.4 | -175.5 | -2.3 | 0 | 0 | 120 | ||||
| 526 | Q | 30 | Very low | 34.6 | Very low | 153 Ų | 153 | 140.7 Ų | 140.7 | 72% | 0.715 | 78% | 0.784 | S | S | * | * | cis | -149.8 | 150 | 13.2 | -141.5 | 164.3 | 72.6 | 0 | 0 | 112 | ||||
| 527 | S | 29.6 | Very low | 33.9 | Very low | 91 Ų | 91 | 145.9 Ų | 145.9 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | trans | 32.9 | 114.4 | 160.9 | 53.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 528 | E | 34.2 | Very low | 33.7 | Very low | 188 Ų | 188 | 144 Ų | 144 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | 69.2 | 139.1 | 82.5 | -71 | -176.7 | 127.4 | 0 | 0 | 114.6 | |||||
| 529 | E | 31.4 | Very low | 33.7 | Very low | 171 Ų | 171 | 142.8 Ų | 142.8 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | cis | -143.6 | 153.2 | 21.5 | -176.7 | 178 | 148.6 | 0 | 0 | 114 | ||||
| 530 | V | 30.5 | Very low | 34 | Very low | 131 Ų | 131 | 141.2 Ų | 141.2 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | 49.3 | 121.3 | 161.9 | 168.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 531 | A | 32 | Very low | 35.4 | Very low | 84 Ų | 84 | 143.3 Ų | 143.3 | 69% | 0.694 | 77% | 0.77 | S | S | * | * | trans | -149.8 | 150.8 | 154.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 532 | N | 27.1 | Very low | 35.2 | Very low | 161 Ų | 161 | 141.5 Ų | 141.5 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | trans | -173.8 | 127.9 | 153.2 | -106.6 | -43.7 | 0 | 0 | 0 | 114.5 | ||||
| 533 | P | 42.6 | Very low | 35.1 | Very low | 113 Ų | 113 | 141.1 Ų | 141.1 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | -106 | 174.4 | 151.7 | 35.3 | -24.9 | 0 | 0 | 0 | 111.7 | ||||
| 534 | P | 60.6 | Low | 35 | Very low | 109 Ų | 109 | 144 Ų | 144 | 71% | 0.708 | 76% | 0.761 | S | S | * | * | trans | -108.3 | 170 | -145.2 | 40 | -38.2 | 0 | 0 | 0 | 116.8 | ||||
| 535 | Q | 29.3 | Very low | 34.3 | Very low | 161 Ų | 161 | 144.5 Ų | 144.5 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | trans | -145.6 | 162.1 | 150.1 | -88.4 | -44.8 | -64.9 | 0 | 0 | 115.1 | ||||
| 536 | R | 31.3 | Very low | 34.2 | Very low | 193 Ų | 193 | 139.5 Ų | 139.5 | 73% | 0.728 | 76% | 0.758 | S | S | * | * | trans | -58.6 | 171.2 | -175.5 | -56.2 | 152.8 | 175.2 | -92.5 | -4.4 | 115.9 | ||||
| 537 | W | 27.3 | Very low | 34.2 | Very low | 230 Ų | 230 | 138.4 Ų | 138.4 | 87% | 0.871 | 76% | 0.761 | S | S | * | * | -173.5 | -174.9 | 109.6 | -90.4 | 111.9 | 0 | 0 | 0 | 111.4 | |||||
| 538 | L | 33.8 | Very low | 34.2 | Very low | 134 Ų | 134 | 140.8 Ų | 140.8 | 70% | 0.702 | 77% | 0.767 | S | S | * | * | trans | -112 | 139.3 | -163.3 | -77.7 | 96.7 | 0 | 0 | 0 | 116.2 | ||||
| 539 | V | 32.2 | Very low | 33.9 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 71% | 0.709 | 76% | 0.76 | S | S | * | * | trans | 56.3 | 103.7 | 133.8 | -175.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 540 | T | 37.4 | Very low | 33.9 | Very low | 125 Ų | 125 | 138.6 Ų | 138.6 | 77% | 0.767 | 76% | 0.758 | S | S | * | * | trans | 30.5 | 147.5 | 135.7 | 74.8 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 541 | P | 55.6 | Low | 33.7 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 79% | 0.792 | 75% | 0.754 | S | S | * | * | -147.3 | -171.4 | 91.9 | 35.4 | -15.9 | 0 | 0 | 0 | 116.5 | |||||
| 542 | V | 29.3 | Very low | 33.6 | Very low | 131 Ų | 131 | 142.8 Ų | 142.8 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | trans | 93.3 | 82.7 | 165.7 | -171.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 543 | Q | 28.6 | Very low | 33.6 | Very low | 169 Ų | 169 | 138.1 Ų | 138.1 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | 48.1 | 109.6 | 112 | -162.8 | 169.2 | 5.3 | 0 | 0 | 123.9 | |||||
| 544 | Q | 26.7 | Very low | 33 | Very low | 166 Ų | 166 | 138.4 Ų | 138.4 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | 66.4 | 161.9 | 145.4 | -61.9 | -90.3 | -7.5 | 0 | 0 | 119.4 | ||||
| 545 | P | 38.6 | Very low | 31.5 | Very low | 120 Ų | 120 | 143 Ų | 143 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | cis | -124.8 | 179.8 | -31.3 | 38.9 | -24.5 | 0 | 0 | 0 | 112.9 | ||||
| 546 | G | 29.4 | Very low | 31.5 | Very low | 61 Ų | 61 | 141.9 Ų | 141.9 | 63% | 0.629 | 76% | 0.756 | S | S | * | * | trans | 134.9 | 94.6 | 165 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 547 | T | 30.5 | Very low | 31.5 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | 68.2 | 93.6 | 88.9 | 61.4 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 548 | N | 30 | Very low | 32 | Very low | 141 Ų | 141 | 133.4 Ų | 133.4 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | trans | 70.1 | 127 | 131.7 | -75.6 | -57.3 | 0 | 0 | 0 | 122.3 | ||||
| 549 | K | 28.6 | Very low | 32.2 | Very low | 170 Ų | 170 | 135.3 Ų | 135.3 | 74% | 0.739 | 75% | 0.745 | S | S | * | * | 86.7 | 125.9 | 128.3 | -84.5 | -174.9 | 174.9 | -170.3 | 0 | 120.9 | |||||
| 550 | L | 30.9 | Very low | 32.5 | Very low | 144 Ų | 144 | 135.2 Ų | 135.2 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | trans | 68.1 | 151.4 | 144.6 | -56.1 | 166.3 | 0 | 0 | 0 | 115.1 | ||||
| 551 | D | 25.7 | Very low | 32.5 | Very low | 131 Ų | 131 | 133.4 Ų | 133.4 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | cis | -145.2 | 163.3 | -21.7 | -145.2 | -55.6 | 0 | 0 | 0 | 107.4 | ||||
| 552 | I | 29.3 | Very low | 31.6 | Very low | 172 Ų | 172 | 132.8 Ų | 132.8 | 88% | 0.882 | 74% | 0.736 | S | S | * | * | trans | -145.4 | 102.4 | 162.9 | -150.9 | 71.7 | 0 | 0 | 0 | 110.6 | ||||
| 553 | G | 28.4 | Very low | 32.1 | Very low | 62 Ų | 62 | 132.4 Ų | 132.4 | 64% | 0.639 | 73% | 0.734 | S | S | * | * | trans | -158.2 | 142.3 | -179 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 554 | S | 29.2 | Very low | 32.4 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 84% | 0.839 | 73% | 0.734 | S | S | * | * | trans | 72.7 | 94.2 | 166.6 | -54 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 555 | Y | 29.6 | Very low | 32.9 | Very low | 205 Ų | 205 | 131.4 Ų | 131.4 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | trans | -171 | 113.6 | 137.6 | -130.7 | -92.3 | 0 | 0 | 0 | 108.4 | ||||
| 556 | E | 28.9 | Very low | 33.6 | Very low | 138 Ų | 138 | 130 Ų | 130 | 65% | 0.645 | 73% | 0.728 | S | S | * | * | cis | -130.6 | 170.6 | -13.5 | -90.7 | 170.1 | 150.5 | 0 | 0 | 106.8 | ||||
| 557 | S | 32.3 | Very low | 33.8 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | cis | 71.2 | 139.8 | 38.3 | -77.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 558 | E | 36.2 | Very low | 33.8 | Very low | 141 Ų | 141 | 134.7 Ų | 134.7 | 66% | 0.659 | 74% | 0.735 | S | S | * | * | cis | -130.6 | 168.8 | -10.2 | -71.5 | -163.3 | 150.3 | 0 | 0 | 107 | ||||
| 559 | Y | 39.2 | Very low | 34.2 | Very low | 174 Ų | 174 | 135.3 Ų | 135.3 | 68% | 0.682 | 74% | 0.737 | S | S | * | * | cis | -168.8 | -178.5 | -5.4 | -105.7 | 160.5 | 0 | 0 | 0 | 106.3 | ||||
| 560 | T | 38.9 | Very low | 34.3 | Very low | 115 Ų | 115 | 136.5 Ų | 136.5 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | cis | -165.3 | 168.9 | -4.6 | 22.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 561 | S | 36.9 | Very low | 34.4 | Very low | 88 Ų | 88 | 134.6 Ų | 134.6 | 62% | 0.615 | 74% | 0.741 | S | S | * | * | cis | 179.2 | 162.3 | -31.7 | -87.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 562 | S | 36.8 | Very low | 34.8 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | trans | 71.7 | 135.2 | 159.7 | -54.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 563 | T | 38.7 | Very low | 35.4 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | cis | -164.7 | 178.2 | -6 | 17.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 564 | L | 34.9 | Very low | 35.9 | Very low | 151 Ų | 151 | 138.4 Ų | 138.4 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | cis | -136.8 | -174.7 | 19 | -79.6 | 172.6 | 0 | 0 | 0 | 111.3 | ||||
| 565 | L | 38.2 | Very low | 36 | Very low | 163 Ų | 163 | 141 Ų | 141 | 85% | 0.853 | 75% | 0.752 | S | S | * | * | trans | -143.8 | -169.5 | 177 | -67.6 | 178.6 | 0 | 0 | 0 | 108.5 | ||||
| 566 | P | 53.6 | Low | 36 | Very low | 89 Ų | 89 | 136 Ų | 136 | 58% | 0.578 | 74% | 0.743 | S | S | * | * | cis | -138.7 | -169.5 | -0.2 | 23.7 | 4.3 | 0 | 0 | 0 | 117 | ||||
| 567 | Y | 32.4 | Very low | 36.3 | Very low | 223 Ų | 223 | 134.5 Ų | 134.5 | 88% | 0.875 | 75% | 0.748 | S | S | * | * | trans | 88 | 153.6 | 167.3 | -49.8 | -62.3 | 0 | 0 | 0 | 117 | ||||
| 568 | G | 31.5 | Very low | 36.3 | Very low | 67 Ų | 67 | 139 Ų | 139 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | cis | -169.4 | 176.3 | -0.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 569 | I | 37.5 | Very low | 36.1 | Very low | 154 Ų | 154 | 136.5 Ų | 136.5 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | trans | -146.8 | 143.5 | -176.2 | 50.2 | 164.4 | 0 | 0 | 0 | 114 | ||||
| 570 | K | 30.7 | Very low | 35.9 | Very low | 195 Ų | 195 | 137 Ų | 137 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | 165.5 | 179.2 | 127.6 | -88.8 | 169.6 | -178.8 | 178.7 | 0 | 113 | |||||
| 571 | S | 33.9 | Very low | 35.5 | Very low | 103 Ų | 103 | 134.4 Ų | 134.4 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | trans | -134.1 | -171.2 | -148.9 | 54 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 572 | L | 32.8 | Very low | 35.2 | Very low | 163 Ų | 163 | 141.8 Ų | 141.8 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | 96.7 | 161.6 | 173.3 | -58 | 171.7 | 0 | 0 | 0 | 116.2 | ||||
| 573 | P | 42 | Very low | 35.1 | Very low | 118 Ų | 118 | 146.1 Ų | 146.1 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | cis | -131.9 | -170.5 | -18 | 30 | -7.8 | 0 | 0 | 0 | 114.3 | ||||
| 574 | L | 40.2 | Very low | 35.4 | Very low | 164 Ų | 164 | 145.7 Ų | 145.7 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | trans | -88.9 | 148.4 | 159.1 | -75.9 | 73.4 | 0 | 0 | 0 | 110.8 | ||||
| 575 | Q | 31.5 | Very low | 35.3 | Very low | 176 Ų | 176 | 144.4 Ų | 144.4 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | -175.2 | 138.5 | 125.4 | -108.5 | -160 | -53.1 | 0 | 0 | 117.2 | |||||
| 576 | T | 29.8 | Very low | 36.1 | Very low | 100 Ų | 100 | 141 Ų | 141 | 61% | 0.613 | 77% | 0.768 | S | S | * | * | trans | 28.3 | 118.7 | 141.5 | 57.8 | 0 | 0 | 0 | 0 | 124 | ||||
| 577 | S | 33.5 | Very low | 35.1 | Very low | 106 Ų | 106 | 143.2 Ų | 143.2 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | 37.9 | 130.9 | 128.5 | 66.5 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 578 | H | 33.4 | Very low | 35.2 | Very low | 197 Ų | 197 | 141.5 Ų | 141.5 | 91% | 0.912 | 78% | 0.777 | S | S | * | * | trans | -136.5 | 159.3 | 147.4 | -85.2 | -79.2 | 0 | 0 | 0 | 111.1 | ||||
| 579 | A | 31.5 | Very low | 35.9 | Very low | 89 Ų | 89 | 144.6 Ų | 144.6 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | -149.4 | 171.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 580 | L | 35.3 | Very low | 35.9 | Very low | 185 Ų | 185 | 141.4 Ų | 141.4 | 97% | 0.969 | 78% | 0.782 | S | S | * | * | trans | 72 | 133.6 | -172.9 | -51.5 | 169.2 | 0 | 0 | 0 | 113.9 | ||||
| 581 | G | 29.7 | Very low | 36 | Very low | 60 Ų | 60 | 140.7 Ų | 140.7 | 62% | 0.619 | 78% | 0.784 | S | S | * | * | cis | 160.6 | 157.3 | -9.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 582 | Y | 31.1 | Very low | 36.1 | Very low | 242 Ų | 242 | 140.3 Ų | 140.3 | 95% | 0.949 | 79% | 0.787 | S | S | * | * | trans | 178.9 | 138.3 | 150.5 | -101.6 | -69.9 | 0 | 0 | 0 | 109.7 | ||||
| 583 | Y | 34.1 | Very low | 35.9 | Very low | 201 Ų | 201 | 135.6 Ų | 135.6 | 79% | 0.788 | 78% | 0.777 | S | S | * | * | trans | -92.1 | 168.2 | 166.6 | -128.1 | -123 | 0 | 0 | 0 | 108.2 | ||||
| 584 | P | 46 | Very low | 35.2 | Very low | 114 Ų | 114 | 142.5 Ų | 142.5 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | cis | -143.5 | 168 | 26 | 45.3 | -26.8 | 0 | 0 | 0 | 119.2 | ||||
| 585 | D | 32.4 | Very low | 34.6 | Very low | 124 Ų | 124 | 138.8 Ų | 138.8 | 66% | 0.663 | 79% | 0.789 | S | S | * | * | trans | -80.9 | 173.3 | 156.2 | -153.5 | 42.1 | 0 | 0 | 0 | 109.2 | ||||
| 586 | P | 54.2 | Low | 34.5 | Very low | 91 Ų | 91 | 133.7 Ų | 133.7 | 59% | 0.591 | 78% | 0.784 | S | S | * | * | cis | -137.2 | -172.6 | 6.6 | 45.4 | -28.5 | 0 | 0 | 0 | 115.5 | ||||
| 587 | T | 33.8 | Very low | 34.5 | Very low | 136 Ų | 136 | 141.6 Ų | 141.6 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | -170.6 | 148.2 | 121.6 | 15.6 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 588 | F | 34.5 | Very low | 34.3 | Very low | 187 Ų | 187 | 140.1 Ų | 140.1 | 82% | 0.82 | 80% | 0.804 | S | S | * | * | trans | -79 | 171.2 | 166.5 | -89.3 | -105.5 | 0 | 0 | 0 | 111.9 | ||||
| 589 | P | 45.4 | Very low | 34.1 | Very low | 132 Ų | 132 | 135.3 Ų | 135.3 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | -123.2 | 150.9 | 118.6 | 35.7 | -33.6 | 0 | 0 | 0 | 113.4 | |||||
| 590 | A | 37.4 | Very low | 34 | Very low | 86 Ų | 86 | 140.9 Ų | 140.9 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | -142.3 | 143 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 591 | M | 33.8 | Very low | 33.7 | Very low | 181 Ų | 181 | 138.6 Ų | 138.6 | 89% | 0.892 | 78% | 0.78 | S | S | * | * | trans | -145.8 | 123.3 | 165.8 | -80.7 | -76.6 | -170.4 | 0 | 0 | 104.7 | ||||
| 592 | A | 35.6 | Very low | 33.9 | Very low | 95 Ų | 95 | 144.9 Ų | 144.9 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | 61.4 | 128.9 | 72.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 593 | G | 27.8 | Very low | 34 | Very low | 63 Ų | 63 | 141.7 Ų | 141.7 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | cis | 163.1 | 165.2 | -8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 594 | W | 29.1 | Very low | 33.8 | Very low | 264 Ų | 264 | 139.4 Ų | 139.4 | 100% | 1 | 78% | 0.775 | S | S | * | * | trans | 59.2 | 112.6 | 157.9 | -62.2 | 90.1 | 0 | 0 | 0 | 122.6 | ||||
| 595 | G | 27.2 | Very low | 33.1 | Very low | 86 Ų | 86 | 138.3 Ų | 138.3 | 89% | 0.887 | 78% | 0.775 | S | S | * | * | trans | 77.1 | 164.6 | 145.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 596 | G | 28.3 | Very low | 33.1 | Very low | 69 Ų | 69 | 137.6 Ų | 137.6 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | cis | 160 | 114.7 | -15.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 597 | R | 31.4 | Very low | 31.9 | Very low | 266 Ų | 266 | 137 Ų | 137 | 100% | 1.004 | 80% | 0.797 | S | S | * | * | trans | 66.9 | 161.3 | -178.6 | -45.2 | -179.4 | -173 | -81.1 | 0.5 | 113 | ||||
| 598 | G | 28.5 | Very low | 32.2 | Very low | 74 Ų | 74 | 138.1 Ų | 138.1 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | cis | -167.9 | 175.3 | -7.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 599 | S | 29.9 | Very low | 32.8 | Very low | 96 Ų | 96 | 134.8 Ų | 134.8 | 67% | 0.671 | 79% | 0.794 | S | S | * | * | cis | -174.6 | 146.5 | 22.7 | 57.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 600 | Y | 28.4 | Very low | 32.1 | Very low | 207 Ų | 207 | 139 Ų | 139 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | 40.8 | 135.9 | 156.8 | -52.6 | -62.8 | 0 | 0 | 0 | 121.4 | ||||
| 601 | Q | 29.6 | Very low | 31.8 | Very low | 136 Ų | 136 | 140.8 Ų | 140.8 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | -155.9 | 174.4 | 77.9 | -57.2 | -44.9 | -44.2 | 0 | 0 | 112 | |||||
| 602 | R | 32.6 | Very low | 31.6 | Very low | 193 Ų | 193 | 137.4 Ų | 137.4 | 73% | 0.728 | 79% | 0.79 | S | S | * | * | cis | -178.4 | 122.7 | -36.8 | 179.3 | -171.7 | -61.3 | -154 | 0.9 | 110.4 | ||||
| 603 | K | 33.9 | Very low | 31.2 | Very low | 174 Ų | 174 | 143.5 Ų | 143.5 | 76% | 0.757 | 79% | 0.792 | S | S | * | * | trans | 69.6 | 156.3 | 165.4 | -75.7 | 173.9 | 162 | -167.5 | 0 | 117.3 | ||||
| 604 | M | 30.6 | Very low | 31.3 | Very low | 153 Ų | 153 | 146 Ų | 146 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | cis | -156 | 151.2 | 6.9 | -136.1 | 147.6 | 168.2 | 0 | 0 | 114.1 | ||||
| 605 | A | 31 | Very low | 31.5 | Very low | 92 Ų | 92 | 138.9 Ų | 138.9 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | trans | 41.3 | 128 | 153.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 606 | A | 31.5 | Very low | 32.3 | Very low | 109 Ų | 109 | 139.9 Ų | 139.9 | 90% | 0.901 | 78% | 0.777 | S | S | * | * | 79.7 | 139.8 | 52.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 607 | G | 29.5 | Very low | 32.5 | Very low | 79 Ų | 79 | 142.6 Ų | 142.6 | 81% | 0.814 | 78% | 0.779 | S | S | * | * | cis | -175.1 | -176.5 | 2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 608 | L | 41.3 | Very low | 32.3 | Very low | 158 Ų | 158 | 135.8 Ų | 135.8 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | trans | -62.1 | 163.3 | -175.1 | -62.9 | 165.5 | 0 | 0 | 0 | 115.7 | ||||
| 609 | P | 45.9 | Very low | 32.3 | Very low | 117 Ų | 117 | 141.1 Ų | 141.1 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | -134.4 | 167.3 | 67 | 21.2 | 4.4 | 0 | 0 | 0 | 114.5 | |||||
| 610 | W | 30.7 | Very low | 32.2 | Very low | 221 Ų | 221 | 141.9 Ų | 141.9 | 84% | 0.837 | 78% | 0.775 | S | S | * | * | 63.3 | 137.2 | 54.8 | -78.6 | 40.8 | 0 | 0 | 0 | 113.4 | |||||
| 611 | T | 31.8 | Very low | 32.2 | Very low | 123 Ų | 123 | 140.7 Ų | 140.7 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | cis | -156.8 | -174 | 5.2 | -0.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 612 | S | 28.4 | Very low | 32 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | -93.3 | 153.2 | -171 | -35.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 613 | R | 27.5 | Very low | 31.8 | Very low | 224 Ų | 224 | 138.4 Ų | 138.4 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | 148.9 | 138.9 | 129 | -85.7 | -173.1 | -179.2 | -100.5 | 0.7 | 116.3 | |||||
| 614 | T | 29.6 | Very low | 31.5 | Very low | 116 Ų | 116 | 137 Ų | 137 | 71% | 0.712 | 78% | 0.779 | S | S | * | * | trans | 46.5 | 127 | 143.5 | 60.4 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 615 | S | 33 | Very low | 31.3 | Very low | 113 Ų | 113 | 134 Ų | 134 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -55.9 | 168.8 | 150.2 | 3.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 616 | P | 45.8 | Very low | 31.1 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | cis | -153.3 | 167.8 | 44 | 42.7 | -21.3 | 0 | 0 | 0 | 121.1 | ||||
| 617 | T | 32.3 | Very low | 30.8 | Very low | 126 Ų | 126 | 139.1 Ų | 139.1 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | 65.5 | 155.8 | 144.1 | 49 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 618 | V | 26.8 | Very low | 30.8 | Very low | 123 Ų | 123 | 144 Ų | 144 | 75% | 0.745 | 76% | 0.758 | S | S | * | * | trans | 97.8 | 111.4 | 158 | -174.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 619 | F | 28 | Very low | 30.3 | Very low | 185 Ų | 185 | 141.8 Ų | 141.8 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | trans | 37.1 | 158.2 | 143.1 | -72.9 | -98.4 | 0 | 0 | 0 | 121.5 | ||||
| 620 | S | 27.2 | Very low | 29.4 | Very low | 113 Ų | 113 | 143.6 Ų | 143.6 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | cis | -152.1 | -170.1 | 24.6 | -146.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 621 | E | 28.6 | Very low | 29.2 | Very low | 181 Ų | 181 | 139.5 Ų | 139.5 | 85% | 0.846 | 74% | 0.737 | S | S | * | * | trans | -94.6 | 152.5 | -161 | -167.7 | 172.9 | 108.6 | 0 | 0 | 116.4 | ||||
| 622 | D | 25.4 | Very low | 29.1 | Very low | 136 Ų | 136 | 140.9 Ų | 140.9 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | trans | -171.2 | 143.6 | 172.9 | -155.2 | 56.7 | 0 | 0 | 0 | 109 | ||||
| 623 | Q | 29 | Very low | 29.3 | Very low | 145 Ų | 145 | 142.9 Ų | 142.9 | 68% | 0.678 | 74% | 0.735 | S | S | * | * | cis | -160 | 158.9 | -21.1 | -131.4 | -173.3 | 109 | 0 | 0 | 109.8 | ||||
| 624 | L | 27.1 | Very low | 29.3 | Very low | 145 Ų | 145 | 135.8 Ų | 135.8 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | trans | 62.4 | 152.5 | 168.4 | -84.8 | 71 | 0 | 0 | 0 | 117.9 | ||||
| 625 | S | 27.8 | Very low | 29.4 | Very low | 89 Ų | 89 | 135.5 Ų | 135.5 | 62% | 0.622 | 74% | 0.735 | S | S | * | * | cis | -168.2 | 142 | -15 | 52.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 626 | K | 25.3 | Very low | 29.2 | Very low | 182 Ų | 182 | 135 Ų | 135 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | trans | 62.9 | 152.9 | 153 | -77.8 | -177.9 | 156 | -137.5 | 0 | 118.4 | ||||
| 627 | E | 26.3 | Very low | 28.4 | Very low | 128 Ų | 128 | 140.2 Ų | 140.2 | 60% | 0.598 | 74% | 0.737 | S | S | * | * | cis | -147.8 | 154.4 | -5.3 | -140.1 | 170.7 | 118.5 | 0 | 0 | 112 | ||||
| 628 | K | 28.3 | Very low | 28.6 | Very low | 180 Ų | 180 | 140.3 Ų | 140.3 | 78% | 0.783 | 73% | 0.732 | S | S | * | * | trans | 23.6 | 144.2 | 148 | -79.2 | -176.4 | 174.9 | 177.5 | 0 | 122.2 | ||||
| 629 | V | 30.9 | Very low | 28.7 | Very low | 112 Ų | 112 | 142.6 Ų | 142.6 | 68% | 0.679 | 73% | 0.734 | S | S | * | * | cis | -173.5 | 151.9 | -6.2 | 72.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 630 | K | 27.4 | Very low | 28.9 | Very low | 156 Ų | 156 | 139.6 Ų | 139.6 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | trans | 43.2 | 153.5 | 151.6 | -76.9 | 179.9 | 65.9 | 171.8 | 0 | 121.1 | ||||
| 631 | E | 27.2 | Very low | 30.7 | Very low | 134 Ų | 134 | 139.5 Ų | 139.5 | 63% | 0.626 | 73% | 0.728 | S | S | * | * | cis | -151.7 | 151.3 | 13.9 | -156.9 | 147.3 | -159.2 | 0 | 0 | 112.5 | ||||
| 632 | E | 30.1 | Very low | 31.8 | Very low | 153 Ų | 153 | 136.8 Ų | 136.8 | 72% | 0.715 | 73% | 0.726 | S | S | * | * | trans | 38.3 | 138 | 152.1 | -74 | -166.4 | 144.8 | 0 | 0 | 127.3 | ||||
| 633 | I | 30.9 | Very low | 32.1 | Very low | 151 Ų | 151 | 135.1 Ų | 135.1 | 77% | 0.774 | 73% | 0.725 | S | S | * | * | trans | 67.2 | 138.3 | 135.7 | -65 | 166.8 | 0 | 0 | 0 | 120.1 | ||||
| 634 | G | 28.3 | Very low | 32.7 | Very low | 76 Ų | 76 | 135.7 Ų | 135.7 | 78% | 0.784 | 73% | 0.731 | S | S | * | * | trans | 143.6 | 103.5 | 148.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 635 | S | 31.4 | Very low | 33 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | trans | -87.5 | 145.9 | 176.9 | 54.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 636 | S | 28.7 | Very low | 33.2 | Very low | 101 Ų | 101 | 140 Ų | 140 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | trans | 80 | 162.2 | 150.9 | -162.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 637 | W | 29.1 | Very low | 33.6 | Very low | 218 Ų | 218 | 138.9 Ų | 138.9 | 83% | 0.826 | 75% | 0.748 | S | S | * | * | trans | 110.5 | 162.1 | 161.5 | -63.3 | 99.6 | 0 | 0 | 0 | 119.5 | ||||
| 638 | I | 37.9 | Very low | 33.7 | Very low | 129 Ų | 129 | 140.1 Ų | 140.1 | 66% | 0.662 | 76% | 0.759 | S | S | * | * | trans | -108.3 | 170.8 | -147 | -56.9 | 166.9 | 0 | 0 | 0 | 110.1 | ||||
| 639 | E | 27.9 | Very low | 34 | Very low | 171 Ų | 171 | 136.3 Ų | 136.3 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | trans | 123.8 | 163.8 | 131.9 | -140.9 | 143.9 | 150.3 | 0 | 0 | 118.8 | ||||
| 640 | T | 32.5 | Very low | 34.1 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 74% | 0.742 | 76% | 0.757 | S | S | * | * | trans | -105.8 | -158.7 | -168.5 | 49.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 641 | P | 64.4 | Low | 34.2 | Very low | 111 Ų | 111 | 136 Ų | 136 | 72% | 0.721 | 76% | 0.757 | S | S | * | * | -112.8 | -177.6 | -72.2 | 37.1 | -23.8 | 0 | 0 | 0 | 111.6 | |||||
| 642 | P | 52 | Low | 34.6 | Very low | 125 Ų | 125 | 134.8 Ų | 134.8 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | -154.9 | -163 | 120.7 | 37.2 | -18.2 | 0 | 0 | 0 | 113.7 | |||||
| 643 | S | 32.2 | Very low | 34.6 | Very low | 101 Ų | 101 | 130.8 Ų | 130.8 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | -173.6 | 136.6 | -61.1 | -162.3 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 644 | I | 42 | Very low | 34.7 | Very low | 157 Ų | 157 | 130 Ų | 130 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | trans | 8.1 | 136.4 | 170 | 41.6 | 163.2 | 0 | 0 | 0 | 123.1 | ||||
| 645 | K | 31.4 | Very low | 34.6 | Very low | 216 Ų | 216 | 136.5 Ų | 136.5 | 94% | 0.939 | 77% | 0.768 | S | S | * | * | trans | -141.4 | 169.7 | 137.9 | -72.9 | -159.8 | 177.6 | -178.5 | 0 | 110.8 | ||||
| 646 | S | 32.7 | Very low | 34.8 | Very low | 108 Ų | 108 | 137.4 Ų | 137.4 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | -138 | 155.1 | -154.9 | 56.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 647 | L | 34.7 | Very low | 34.9 | Very low | 159 Ų | 159 | 138 Ų | 138 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | 53.8 | 123.4 | 152.6 | -115.3 | 71.7 | 0 | 0 | 0 | 119.8 | ||||
| 648 | D | 27.9 | Very low | 34.9 | Very low | 153 Ų | 153 | 131.9 Ų | 131.9 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | -160.3 | -179 | 101 | -138.8 | -43.4 | 0 | 0 | 0 | 111.5 | |||||
| 649 | S | 34.5 | Very low | 34.6 | Very low | 101 Ų | 101 | 131.6 Ų | 131.6 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | -103 | 178.6 | -177.7 | -43.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 650 | N | 32.2 | Very low | 34.7 | Very low | 135 Ų | 135 | 133.6 Ų | 133.6 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | cis | -157.3 | 160 | 11.5 | -174.6 | 45.8 | 0 | 0 | 0 | 111.4 | ||||
| 651 | D | 30.1 | Very low | 34.6 | Very low | 127 Ų | 127 | 139.2 Ų | 139.2 | 68% | 0.679 | 79% | 0.79 | S | S | * | * | trans | 61.7 | 146.7 | 164.2 | -103.5 | -79.9 | 0 | 0 | 0 | 118.6 | ||||
| 652 | S | 35.3 | Very low | 32.9 | Very low | 107 Ų | 107 | 145.6 Ų | 145.6 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | cis | -142.7 | 151.4 | 1.6 | -55.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 653 | G | 30.6 | Very low | 31.9 | Very low | 70 Ų | 70 | 150.5 Ų | 150.5 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | trans | 139.8 | 80.9 | 157.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 654 | V | 31.8 | Very low | 31.9 | Very low | 135 Ų | 135 | 153.6 Ų | 153.6 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | 42.5 | 118.6 | 122 | 176 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 655 | Y | 27.9 | Very low | 31.5 | Very low | 212 Ų | 212 | 151.2 Ų | 151.2 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | cis | -168 | 140.2 | 19 | -152.9 | -120 | 0 | 0 | 0 | 112.8 | ||||
| 656 | T | 34.9 | Very low | 32 | Very low | 129 Ų | 129 | 146.1 Ų | 146.1 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | -157.4 | 145.8 | 150.3 | 54.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 657 | S | 30.7 | Very low | 31.7 | Very low | 114 Ų | 114 | 146.2 Ų | 146.2 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | 167.5 | 142.3 | 139.9 | -85 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 658 | A | 29.9 | Very low | 31.4 | Very low | 89 Ų | 89 | 145.3 Ų | 145.3 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | 58.8 | 113.4 | 136.8 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 659 | C | 31.2 | Very low | 31.4 | Very low | 122 Ų | 122 | 142.4 Ų | 142.4 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | 20.8 | 120 | 122.1 | -56.5 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 660 | K | 29.4 | Very low | 31.3 | Very low | 214 Ų | 214 | 142.7 Ų | 142.7 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | -170.7 | 156.1 | 105.7 | -108.9 | 170.7 | -178.4 | 170.2 | 0 | 115.6 | |||||
| 661 | R | 30.8 | Very low | 31.2 | Very low | 238 Ų | 238 | 143.1 Ų | 143.1 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | trans | -69.6 | 136.4 | 178.4 | 175.6 | -166 | -71.1 | -175.1 | -3.8 | 112.9 | ||||
| 662 | R | 27.8 | Very low | 31.3 | Very low | 246 Ų | 246 | 146 Ų | 146 | 93% | 0.928 | 80% | 0.798 | S | S | * | * | trans | -141.4 | 147.8 | 144.8 | -161.4 | 168.6 | -68.1 | -174.3 | 1.8 | 110.3 | ||||
| 663 | R | 32.5 | Very low | 31 | Very low | 228 Ų | 228 | 147.9 Ų | 147.9 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -100.7 | 143.4 | -174.4 | -176.8 | -167 | -163.1 | -158 | 8.2 | 109.2 | ||||
| 664 | L | 30.7 | Very low | 31.1 | Very low | 165 Ų | 165 | 149.8 Ų | 149.8 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -170.6 | 134.6 | 142.9 | -104.8 | 168.4 | 0 | 0 | 0 | 110.9 | ||||
| 665 | S | 33.4 | Very low | 31.7 | Very low | 108 Ų | 108 | 148.6 Ų | 148.6 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | -135.1 | 149.9 | 160.2 | -47.8 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 666 | P | 42.4 | Very low | 31.8 | Very low | 109 Ų | 109 | 142.8 Ų | 142.8 | 71% | 0.708 | 79% | 0.788 | S | S | * | * | -153.6 | 150.8 | 107.6 | 37.5 | -20.6 | 0 | 0 | 0 | 116.1 | |||||
| 667 | S | 27.3 | Very low | 31.6 | Very low | 110 Ų | 110 | 143.5 Ų | 143.5 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | 63.4 | 159.1 | 153.8 | -52.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 668 | N | 27.1 | Very low | 31.4 | Very low | 140 Ų | 140 | 145.2 Ų | 145.2 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | cis | -150.6 | 176.9 | 7.1 | -149.6 | 54.5 | 0 | 0 | 0 | 110.4 | ||||
| 669 | S | 29.6 | Very low | 31.3 | Very low | 91 Ų | 91 | 146.8 Ų | 146.8 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | trans | 18.2 | 141.6 | 149.8 | 54.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 670 | S | 32 | Very low | 31.1 | Very low | 107 Ų | 107 | 147.5 Ų | 147.5 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | cis | -174.8 | -165.2 | 2.7 | 48.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 671 | N | 30.5 | Very low | 31.3 | Very low | 145 Ų | 145 | 144.5 Ų | 144.5 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | trans | -36.5 | 160.4 | 158.6 | -47.8 | -4 | 0 | 0 | 0 | 113.2 | ||||
| 672 | E | 31.2 | Very low | 31.5 | Very low | 186 Ų | 186 | 139.9 Ų | 139.9 | 87% | 0.869 | 76% | 0.76 | S | S | * | * | -156.4 | -173.5 | 59.8 | -75 | -167.5 | 103.7 | 0 | 0 | 116 | |||||
| 673 | N | 30.1 | Very low | 31.9 | Very low | 147 Ų | 147 | 135.5 Ų | 135.5 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | trans | -83.2 | 134.1 | -167.9 | -68.8 | -45.1 | 0 | 0 | 0 | 115.9 | ||||
| 674 | S | 31.1 | Very low | 31.8 | Very low | 111 Ų | 111 | 128.5 Ų | 128.5 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | trans | 60.6 | -170.9 | 140 | -46.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 675 | P | 45.7 | Very low | 31.7 | Very low | 109 Ų | 109 | 129.9 Ų | 129.9 | 71% | 0.708 | 75% | 0.748 | S | S | * | * | cis | -127.9 | -171.5 | -17 | 34.1 | -12.8 | 0 | 0 | 0 | 114 | ||||
| 676 | S | 28.6 | Very low | 31.7 | Very low | 91 Ų | 91 | 132.9 Ų | 132.9 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | trans | 28 | 147.8 | 138.6 | 68.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 677 | I | 30.9 | Very low | 31 | Very low | 144 Ų | 144 | 138.1 Ų | 138.1 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | cis | -175.5 | 162.9 | 11.8 | 27.7 | 171.8 | 0 | 0 | 0 | 110.3 | ||||
| 678 | K | 26.9 | Very low | 31.1 | Very low | 150 Ų | 150 | 137.5 Ų | 137.5 | 65% | 0.652 | 75% | 0.753 | S | S | * | * | trans | 66.4 | 167.1 | 157 | -85.3 | 173.8 | 165.8 | -86 | 0 | 115.8 | E680 | K678-E680 IonicContact NZ-OE1 2.77Å; K678-E680 PolarHBondContact NZ-OE1 3.39Å; K678-E680 IonicContact NZ-OE2 2.64Å; K678-E680 PolarHBondContact NZ-OE2 3.3Å | ||
| 679 | C | 27.4 | Very low | 31.2 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | cis | -140.8 | 170.2 | 29.1 | -57.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 680 | E | 28.3 | Very low | 31.3 | Very low | 136 Ų | 136 | 140.5 Ų | 140.5 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | trans | -93.8 | 159.5 | 165 | -50.5 | 97.6 | 128.2 | 0 | 0 | 110.8 | K678 | K678-E680 IonicContact NZ-OE1 2.77Å; K678-E680 PolarHBondContact NZ-OE1 3.39Å; K678-E680 IonicContact NZ-OE2 2.64Å; K678-E680 PolarHBondContact NZ-OE2 3.3Å | ||
| 681 | D | 32.2 | Very low | 31.1 | Very low | 151 Ų | 151 | 141.6 Ų | 141.6 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | cis | -174 | -175.2 | -19.2 | -179.7 | 31 | 0 | 0 | 0 | 108.7 | ||||
| 682 | I | 35.1 | Very low | 31.3 | Very low | 141 Ų | 141 | 138.8 Ų | 138.8 | 72% | 0.723 | 75% | 0.747 | S | S | * | * | trans | 91.7 | 100.3 | 158.9 | -55 | 174.2 | 0 | 0 | 0 | 119.8 | ||||
| 683 | N | 37.6 | Very low | 31.6 | Very low | 155 Ų | 155 | 139.4 Ų | 139.4 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | 49.2 | 136.1 | 122.4 | -154.5 | 21.1 | 0 | 0 | 0 | 125.1 | |||||
| 684 | A | 29.1 | Very low | 31.6 | Very low | 80 Ų | 80 | 136.1 Ų | 136.1 | 66% | 0.661 | 75% | 0.747 | S | S | * | * | trans | -166.2 | 155.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 685 | E | 30 | Very low | 31.6 | Very low | 195 Ų | 195 | 140 Ų | 140 | 91% | 0.911 | 76% | 0.756 | S | S | * | * | cis | -151.2 | -102.8 | -6.9 | -131.4 | 169.1 | -165.2 | 0 | 0 | 113.4 | ||||
| 686 | E | 32.4 | Very low | 31 | Very low | 171 Ų | 171 | 138.3 Ų | 138.3 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | trans | -150.9 | 142.8 | -158.8 | 165.1 | 175.1 | -139.9 | 0 | 0 | 115.6 | ||||
| 687 | Y | 27.3 | Very low | 31.1 | Very low | 219 Ų | 219 | 137.1 Ų | 137.1 | 86% | 0.859 | 76% | 0.76 | S | S | * | * | -168.8 | 167 | 129.4 | -141.1 | -105.2 | 0 | 0 | 0 | 113.1 | |||||
| 688 | S | 30.1 | Very low | 31.1 | Very low | 97 Ų | 97 | 140.6 Ų | 140.6 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | trans | -148.3 | -176 | -167.2 | -166.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 689 | K | 30.1 | Very low | 31.3 | Very low | 176 Ų | 176 | 143.5 Ų | 143.5 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | trans | 80.9 | 151.9 | -171.3 | -62.7 | 177.8 | 139.7 | -75.5 | 0 | 115.1 | ||||
| 690 | D | 29.7 | Very low | 31.6 | Very low | 117 Ų | 117 | 141 Ų | 141 | 63% | 0.626 | 76% | 0.762 | S | S | * | * | cis | -165 | 163 | -15.6 | -116.5 | -49.2 | 0 | 0 | 0 | 106.9 | ||||
| 691 | T | 29.2 | Very low | 31.7 | Very low | 130 Ų | 130 | 143.9 Ų | 143.9 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | cis | -150.7 | -159.6 | -7.7 | -155 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 692 | S | 34.4 | Very low | 32.3 | Very low | 86 Ų | 86 | 146.3 Ų | 146.3 | 60% | 0.601 | 77% | 0.772 | S | S | * | * | trans | -141.6 | 158.4 | -176 | 78.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 693 | K | 37 | Very low | 32.4 | Very low | 200 Ų | 200 | 146.6 Ų | 146.6 | 87% | 0.87 | 78% | 0.78 | S | S | * | * | trans | 79.5 | 111.7 | 157.5 | -62.9 | 167.2 | -177 | 173.5 | 0 | 120.9 | ||||
| 694 | G | 31 | Very low | 31.9 | Very low | 77 Ų | 77 | 144.6 Ų | 144.6 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | 103.2 | 113.9 | 92.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 695 | M | 31.4 | Very low | 33.3 | Very low | 193 Ų | 193 | 150.1 Ų | 150.1 | 95% | 0.951 | 80% | 0.803 | S | S | * | * | trans | -160.2 | 161.8 | 139.9 | -165.4 | 56.9 | 77.3 | 0 | 0 | 107.9 | ||||
| 696 | G | 31.8 | Very low | 33.5 | Very low | 73 Ų | 73 | 147.9 Ų | 147.9 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | -134.1 | 171.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 697 | G | 30.8 | Very low | 33.5 | Very low | 66 Ų | 66 | 146.7 Ų | 146.7 | 68% | 0.68 | 80% | 0.798 | S | S | * | * | trans | 150.3 | 146.2 | 167 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 698 | Y | 31.7 | Very low | 33.9 | Very low | 217 Ų | 217 | 142.7 Ų | 142.7 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | trans | 71.6 | 132.3 | 157.3 | -63 | -87 | 0 | 0 | 0 | 121.8 | ||||
| 699 | Y | 30.6 | Very low | 34.1 | Very low | 211 Ų | 211 | 145.4 Ų | 145.4 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | trans | 21.4 | 152.8 | 135.7 | -76.2 | -113.4 | 0 | 0 | 0 | 121.8 | ||||
| 700 | A | 32.8 | Very low | 34.4 | Very low | 70 Ų | 70 | 143.4 Ų | 143.4 | 58% | 0.579 | 80% | 0.803 | S | S | * | * | cis | 179.1 | 174.5 | -19.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 701 | F | 31.9 | Very low | 34.7 | Very low | 197 Ų | 197 | 145.2 Ų | 145.2 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | trans | 76.3 | 163.3 | 160.1 | -84.6 | -80.1 | 0 | 0 | 0 | 120.8 | ||||
| 702 | Y | 45.2 | Very low | 35 | Very low | 202 Ų | 202 | 146.3 Ų | 146.3 | 79% | 0.792 | 82% | 0.816 | S | S | * | * | trans | -93.9 | 158.4 | -167.2 | -70.1 | -112.1 | 0 | 0 | 0 | 113.2 | ||||
| 703 | T | 36.3 | Very low | 35.1 | Very low | 146 Ų | 146 | 150.9 Ų | 150.9 | 90% | 0.896 | 83% | 0.833 | S | S | * | * | -150.4 | 136.2 | 128.5 | 20.8 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 704 | T | 27.7 | Very low | 34.9 | Very low | 114 Ų | 114 | 146.8 Ų | 146.8 | 70% | 0.699 | 83% | 0.83 | S | S | * | * | trans | -84.5 | 164.1 | 158.8 | 19.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 705 | P | 58 | Low | 35.3 | Very low | 196 Ų | 196 | 153.2 Ų | 153.2 | 100% | 1.273 | 83% | 0.833 | S | S | * | * | -96.7 | 0 | 79.7 | -20.4 | 35.8 | 0 | 0 | 0 | 115.6 |
Retrieved 705 of 705 residues in 225.1 ms
(Link to these results)