| 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 | 47.7 | Very low | 40.1 | Very low | 237 Ų | 237 | 150.5 Ų | 150.5 | 100% | 1.167 | 80% | 0.798 | S | S | * | * | 0 | 149.3 | 0 | -70 | 157.6 | 72.7 | 0 | 0 | 108 | |||||
| 2 | V | 45.1 | Very low | 39.1 | Very low | 147 Ų | 147 | 156.3 Ų | 156.3 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | cis | 172.5 | 171.2 | -23.6 | 143.3 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 3 | K | 37.2 | Very low | 38.1 | Very low | 199 Ų | 199 | 150 Ų | 150 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | trans | -88.2 | 151.6 | -150.2 | -57.5 | 175.9 | 176 | 176.4 | 0 | 117.9 | ||||
| 4 | A | 34.5 | Very low | 37.3 | Very low | 85 Ų | 85 | 154.1 Ų | 154.1 | 70% | 0.702 | 81% | 0.805 | S | S | * | * | trans | 89.5 | 116.3 | 132.1 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 5 | Q | 36.4 | Very low | 36.7 | Very low | 166 Ų | 166 | 154.1 Ų | 154.1 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | 66 | 149.5 | 131 | -92.6 | 166.9 | -65 | 0 | 0 | 122.3 | ||||
| 6 | Q | 35.6 | Very low | 36.3 | Very low | 147 Ų | 147 | 154.7 Ų | 154.7 | 69% | 0.687 | 80% | 0.803 | S | S | * | * | cis | -153.8 | 163.3 | -1.5 | -162.1 | 156.8 | -10.3 | 0 | 0 | 114.5 | ||||
| 7 | S | 34.2 | Very low | 36 | Very low | 108 Ų | 108 | 155.6 Ų | 155.6 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | 58.8 | 86.9 | 156.4 | 50.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 8 | Q | 51.3 | Low | 35.4 | Very low | 187 Ų | 187 | 158.6 Ų | 158.6 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -147.3 | 170.6 | 166.1 | -77.3 | -169 | -12.6 | 0 | 0 | 110.5 | ||||
| 9 | P | 46.5 | Very low | 35.2 | Very low | 112 Ų | 112 | 157.8 Ų | 157.8 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -93.4 | -165.4 | -176.4 | 24.6 | -10 | 0 | 0 | 0 | 113.7 | ||||
| 10 | L | 39.3 | Very low | 34.9 | Very low | 138 Ų | 138 | 155.1 Ų | 155.1 | 72% | 0.723 | 81% | 0.806 | S | S | * | * | trans | 125.3 | 135 | 153.7 | -85.5 | 71.1 | 0 | 0 | 0 | 119.7 | ||||
| 11 | Q | 33.4 | Very low | 34.6 | Very low | 130 Ų | 130 | 152.6 Ų | 152.6 | 61% | 0.607 | 80% | 0.801 | S | S | * | * | trans | 59.9 | 144.5 | 131.7 | -67.3 | -168.8 | 30.6 | 0 | 0 | 126.3 | ||||
| 12 | R | 27.5 | Very low | 33.7 | Very low | 220 Ų | 220 | 148.1 Ų | 148.1 | 83% | 0.83 | 78% | 0.777 | S | S | * | * | trans | 41.9 | 121.7 | 135.7 | -64.2 | 179.5 | 172.9 | 151.6 | -17.1 | 121.7 | ||||
| 13 | G | 26.3 | Very low | 33 | Very low | 74 Ų | 74 | 148.6 Ų | 148.6 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | 96.6 | 137.8 | 94.5 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 14 | K | 27.3 | Very low | 32.6 | Very low | 207 Ų | 207 | 149.2 Ų | 149.2 | 90% | 0.9 | 77% | 0.769 | S | S | * | * | trans | 51.1 | 113 | 149.9 | -70.5 | -174.2 | 177.6 | 179.8 | 0 | 122.2 | ||||
| 15 | L | 28.9 | Very low | 32.2 | Very low | 154 Ų | 154 | 148.3 Ų | 148.3 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | 73.6 | 151 | 118.1 | -154 | 75.3 | 0 | 0 | 0 | 121.4 | |||||
| 16 | Q | 29 | Very low | 31.9 | Very low | 164 Ų | 164 | 149.2 Ų | 149.2 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | trans | 86.4 | 133 | 167.9 | -49.7 | -164.7 | 28.1 | 0 | 0 | 115.7 | ||||
| 17 | K | 32.5 | Very low | 31.7 | Very low | 171 Ų | 171 | 147.8 Ų | 147.8 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | cis | 84.4 | 114 | 29.8 | -164.4 | -177.8 | -173.2 | 179.3 | 0 | 113.6 | ||||
| 18 | K | 25.4 | Very low | 31.7 | Very low | 209 Ų | 209 | 151.2 Ų | 151.2 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | trans | -134.3 | 121.2 | 165.5 | -86 | -171.1 | 174.4 | -179.7 | 0 | 110.7 | ||||
| 19 | N | 30.1 | Very low | 30.8 | Very low | 143 Ų | 143 | 149 Ų | 149 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | trans | -120.6 | 133.4 | 164.8 | -66.4 | 10.9 | 0 | 0 | 0 | 107.7 | ||||
| 20 | A | 30.2 | Very low | 30 | Very low | 104 Ų | 104 | 152.3 Ų | 152.3 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | trans | 178.5 | 150.7 | 157.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 21 | C | 28.2 | Very low | 29.4 | Very low | 103 Ų | 103 | 149.1 Ų | 149.1 | 70% | 0.696 | 76% | 0.764 | S | S | * | * | cis | -167.8 | 175.4 | -31.1 | -154.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 22 | H | 28.8 | Very low | 29.3 | Very low | 143 Ų | 143 | 150.2 Ų | 150.2 | 66% | 0.662 | 77% | 0.774 | S | S | * | * | trans | 74.2 | 149.4 | 159.5 | -63 | -13.2 | 0 | 0 | 0 | 118.2 | ||||
| 23 | K | 30.6 | Very low | 29.5 | Very low | 157 Ų | 157 | 145.6 Ų | 145.6 | 68% | 0.683 | 77% | 0.77 | S | S | * | * | cis | -165.8 | 147.5 | -16.7 | -116.2 | 166.2 | -179.6 | 157.8 | 0 | 110.1 | ||||
| 24 | K | 29.1 | Very low | 29.6 | Very low | 212 Ų | 212 | 145 Ų | 145 | 92% | 0.922 | 76% | 0.764 | S | S | * | * | trans | 62.6 | 155.2 | 167.2 | -57.8 | 179.4 | 175.6 | -172.4 | 0 | 115.9 | ||||
| 25 | G | 26.7 | Very low | 29.9 | Very low | 66 Ų | 66 | 144.4 Ų | 144.4 | 68% | 0.68 | 76% | 0.761 | S | S | * | * | cis | 159.6 | 140.2 | -13.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 26 | E | 29.3 | Very low | 29.8 | Very low | 184 Ų | 184 | 144.1 Ų | 144.1 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | trans | 65.9 | 157.1 | 161.6 | -69.1 | -165.6 | 95.6 | 0 | 0 | 119.7 | ||||
| 27 | L | 31.1 | Very low | 30 | Very low | 117 Ų | 117 | 144.9 Ų | 144.9 | 61% | 0.613 | 76% | 0.764 | S | S | * | * | cis | -168.5 | 144.9 | -30.7 | -162.1 | 82.1 | 0 | 0 | 0 | 111.2 | ||||
| 28 | K | 33.5 | Very low | 30.2 | Very low | 180 Ų | 180 | 143.4 Ų | 143.4 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | trans | 66.1 | 162.6 | 166.8 | -75.6 | 163.6 | -171.3 | 166.7 | 0 | 116 | ||||
| 29 | Q | 33.5 | Very low | 30.6 | Very low | 140 Ų | 140 | 140.4 Ų | 140.4 | 65% | 0.654 | 76% | 0.755 | S | S | * | * | cis | -162.3 | 158.2 | 29.4 | -152.1 | -178.7 | 93.5 | 0 | 0 | 113.7 | ||||
| 30 | K | 29.3 | Very low | 30.5 | Very low | 182 Ų | 182 | 139.9 Ų | 139.9 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | trans | 64.3 | 154.5 | 167.5 | -71.9 | 149.8 | 175.8 | 158.4 | 0 | 116.7 | ||||
| 31 | G | 26.9 | Very low | 30.4 | Very low | 72 Ų | 72 | 144.1 Ų | 144.1 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | cis | 106.2 | 137.9 | 6.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 32 | N | 30.9 | Very low | 30.6 | Very low | 153 Ų | 153 | 149.3 Ų | 149.3 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | cis | -166.4 | 160.3 | 4.9 | -162.6 | 21.2 | 0 | 0 | 0 | 109.6 | ||||
| 33 | V | 31.7 | Very low | 30.7 | Very low | 123 Ų | 123 | 152.5 Ų | 152.5 | 75% | 0.745 | 76% | 0.764 | S | S | * | * | trans | 41.9 | 132.3 | 159.8 | 175.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 34 | G | 29.1 | Very low | 30.7 | Very low | 62 Ų | 62 | 155.8 Ų | 155.8 | 64% | 0.639 | 77% | 0.772 | S | S | * | * | cis | 114.8 | 126.9 | 5.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 35 | K | 32.8 | Very low | 30.8 | Very low | 193 Ų | 193 | 152.6 Ų | 152.6 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | trans | 178.3 | 150.1 | 155.6 | -107.3 | 169.3 | -179.5 | 176.9 | 0 | 116.7 | ||||
| 36 | N | 28.1 | Very low | 31 | Very low | 148 Ų | 148 | 155.8 Ų | 155.8 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | 75.7 | 129.3 | 152.2 | -62.1 | 4.5 | 0 | 0 | 0 | 122.5 | ||||
| 37 | E | 33 | Very low | 31 | Very low | 181 Ų | 181 | 157.9 Ų | 157.9 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | -91.3 | 176.3 | 167.5 | -55.7 | 168.9 | 132.5 | 0 | 0 | 109.6 | ||||
| 38 | I | 35.9 | Very low | 30.8 | Very low | 140 Ų | 140 | 155.2 Ų | 155.2 | 72% | 0.718 | 77% | 0.772 | S | S | * | * | -167.8 | 128.4 | 67 | -83.8 | -175 | 0 | 0 | 0 | 111.9 | |||||
| 39 | I | 33.5 | Very low | 30.7 | Very low | 145 Ų | 145 | 155.8 Ų | 155.8 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | trans | 36.8 | 119.1 | 135.8 | -42.8 | 174.1 | 0 | 0 | 0 | 121.1 | ||||
| 40 | E | 28.5 | Very low | 30.5 | Very low | 133 Ų | 133 | 159.9 Ų | 159.9 | 62% | 0.621 | 79% | 0.786 | S | S | * | * | 175.6 | 128.7 | 105.7 | -122 | -125.6 | 161.8 | 0 | 0 | 114.5 | |||||
| 41 | K | 28.6 | Very low | 30.7 | Very low | 192 Ų | 192 | 160.6 Ų | 160.6 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | 179.8 | 154.9 | 116.2 | -101.8 | 161.9 | -173 | 159.8 | 0 | 115.6 | |||||
| 42 | R | 31.1 | Very low | 30.9 | Very low | 213 Ų | 213 | 160.7 Ų | 160.7 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -77.4 | 151.4 | -175.4 | -54.7 | 168 | -179.8 | 171.4 | -5.4 | 113.7 | ||||
| 43 | K | 30.6 | Very low | 30.8 | Very low | 209 Ų | 209 | 162.9 Ų | 162.9 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -130.1 | 166.2 | 140.1 | -86.1 | -165.3 | 175.2 | -176.1 | 0 | 110.2 | ||||
| 44 | R | 32.1 | Very low | 30.8 | Very low | 226 Ų | 226 | 163.2 Ų | 163.2 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -152.1 | 119 | -167.5 | 171.3 | -138.4 | -69.3 | 169 | -5.2 | 109.3 | ||||
| 45 | D | 31.1 | Very low | 30.9 | Very low | 145 Ų | 145 | 167.7 Ų | 167.7 | 78% | 0.775 | 81% | 0.812 | S | S | * | * | trans | -150.9 | 157.6 | 167.7 | -77 | -61.4 | 0 | 0 | 0 | 106.8 | ||||
| 46 | V | 31.1 | Very low | 30.5 | Very low | 134 Ų | 134 | 162.3 Ų | 162.3 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | cis | -174.4 | 160.7 | -28 | 131.7 | 0 | 0 | 0 | 0 | 102.9 | ||||
| 47 | R | 29.3 | Very low | 30.5 | Very low | 227 Ų | 227 | 158.6 Ų | 158.6 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | trans | -84.5 | 136.2 | -168.4 | -160.5 | -179.5 | -60.8 | -170.5 | 0.9 | 112.1 | ||||
| 48 | G | 26.9 | Very low | 30.2 | Very low | 61 Ų | 61 | 160.5 Ų | 160.5 | 63% | 0.629 | 81% | 0.814 | S | S | * | * | trans | -131.9 | 109.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 49 | F | 31.3 | Very low | 29.8 | Very low | 192 Ų | 192 | 157.6 Ų | 157.6 | 84% | 0.842 | 82% | 0.818 | S | S | * | * | trans | -83.3 | 137.6 | 163 | -83 | -99.8 | 0 | 0 | 0 | 109 | ||||
| 50 | Y | 29.6 | Very low | 30.1 | Very low | 227 Ų | 227 | 159.8 Ų | 159.8 | 89% | 0.89 | 82% | 0.823 | S | S | * | * | trans | -92.1 | 113.9 | 176.2 | -77.8 | -80.2 | 0 | 0 | 0 | 111.9 | ||||
| 51 | H | 33.5 | Very low | 30.2 | Very low | 197 Ų | 197 | 156.6 Ų | 156.6 | 91% | 0.912 | 83% | 0.825 | S | S | * | * | trans | -135.9 | 123.2 | 168.9 | -106.1 | 6 | 0 | 0 | 0 | 110.1 | ||||
| 52 | G | 29.8 | Very low | 30.3 | Very low | 73 Ų | 73 | 153.5 Ų | 153.5 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | trans | -166.9 | 101.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 53 | K | 29.9 | Very low | 30.5 | Very low | 199 Ų | 199 | 148.7 Ų | 148.7 | 87% | 0.865 | 82% | 0.817 | S | S | * | * | 84.8 | 77.3 | 72 | -80.6 | -164.2 | 169 | -173.5 | 0 | 115 | |||||
| 54 | T | 30.3 | Very low | 30.6 | Very low | 131 Ų | 131 | 148.4 Ų | 148.4 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | 30.8 | 112.8 | 122.7 | 56.6 | 0 | 0 | 0 | 0 | 121 | |||||
| 55 | T | 31.8 | Very low | 30.7 | Very low | 155 Ų | 155 | 141.9 Ų | 141.9 | 95% | 0.951 | 81% | 0.805 | S | S | * | * | -166.8 | 143.4 | 125.7 | 21.4 | 0 | 0 | 0 | 0 | 106.3 | |||||
| 56 | G | 25.2 | Very low | 30.7 | Very low | 81 Ų | 81 | 140.9 Ų | 140.9 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | cis | 164.4 | 155.6 | -2.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 57 | G | 26.4 | Very low | 30.7 | Very low | 70 Ų | 70 | 139 Ų | 139 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | cis | -175.2 | 175.3 | -5.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 58 | F | 28.1 | Very low | 31 | Very low | 221 Ų | 221 | 133.1 Ų | 133.1 | 97% | 0.969 | 79% | 0.788 | S | S | * | * | trans | 65.3 | 119.4 | 178.8 | -81.7 | -88.9 | 0 | 0 | 0 | 119.3 | ||||
| 59 | G | 27.7 | Very low | 31.3 | Very low | 78 Ų | 78 | 138 Ų | 138 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -177.7 | 74.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | G61 | G59-G61 PolarHBondContact O-N 3.4Š| ||
| 60 | K | 38.4 | Very low | 31.5 | Very low | 192 Ų | 192 | 136.1 Ų | 136.1 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | -79 | 109.1 | -171.8 | -172.1 | -177.2 | 179.7 | -168.8 | 0 | 109.9 | ||||
| 61 | G | 31.1 | Very low | 31.8 | Very low | 65 Ų | 65 | 132 Ų | 132 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | trans | -132.4 | 134.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | G59 S63 | G59-G61 PolarHBondContact O-N 3.4Å; G61-S63 PolarHBondContact O-N 3.31Å | ||
| 62 | D | 31.7 | Very low | 31.8 | Very low | 127 Ų | 127 | 132.5 Ų | 132.5 | 68% | 0.679 | 79% | 0.79 | S | S | * | * | trans | -77.8 | 121.2 | -163.8 | -59.2 | -66.4 | 0 | 0 | 0 | 112.7 | F64 | D62-F64 PolarHBondContact O-N 3.22Š| ||
| 63 | S | 34.1 | Very low | 31.8 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | -73.1 | 106.7 | 171.1 | 57 | 0 | 0 | 0 | 0 | 109.6 | G61 S65 | G61-S63 PolarHBondContact O-N 3.31Å; S63-S65 VanDerWaalsContact C-N 3.31Å; S63-S65 PolarHBondContact O-N 3.29Å | ||
| 64 | F | 33.8 | Very low | 31.9 | Very low | 204 Ų | 204 | 134.1 Ų | 134.1 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | trans | -66 | 90.3 | 170.8 | -73.5 | -77.3 | 0 | 0 | 0 | 110.3 | D62 C66 | D62-F64 PolarHBondContact O-N 3.22Å; F64-C66 PolarHBondContact O-N 3.4Å | ||
| 65 | S | 32.7 | Very low | 32 | Very low | 89 Ų | 89 | 137.3 Ų | 137.3 | 62% | 0.622 | 80% | 0.796 | S | S | * | * | trans | -61 | 127.5 | 173.3 | 49.7 | 0 | 0 | 0 | 0 | 110.2 | S63 C67 | S63-S65 VanDerWaalsContact C-N 3.31Å; S63-S65 PolarHBondContact O-N 3.29Å; S65-C67 PolarHBondContact O-N 2.81Å; S65-C67 PolarHBondContact OG-SG 2.84Å | ||
| 66 | C | 31.9 | Very low | 31.8 | Very low | 123 Ų | 123 | 139 Ų | 139 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | trans | -70.6 | 82 | 173 | -171.8 | 0 | 0 | 0 | 0 | 110.1 | F64 V68 | F64-C66 PolarHBondContact O-N 3.4Å; C66-V68 PolarHBondContact O-N 3.09Å | ||
| 67 | C | 32.2 | Very low | 32.2 | Very low | 95 Ų | 95 | 141 Ų | 141 | 64% | 0.642 | 79% | 0.788 | S | S | * | * | trans | -74.5 | 83.3 | 179.5 | -67.9 | 0 | 0 | 0 | 0 | 110.8 | S65 L69 | S65-C67 PolarHBondContact O-N 2.81Å; S65-C67 PolarHBondContact OG-SG 2.84Å; C67-L69 PolarHBondContact O-N 2.98Å; C67-L69 VanDerWaalsContact O-N 3.09Å | ||
| 68 | V | 35.3 | Very low | 32.3 | Very low | 103 Ų | 103 | 144.8 Ų | 144.8 | 62% | 0.624 | 80% | 0.796 | S | S | * | * | trans | -68.7 | 103.5 | 161.8 | -177 | 0 | 0 | 0 | 0 | 107.7 | C66 L70 | C66-V68 PolarHBondContact O-N 3.09Å; V68-L70 HydrophobicContact CG1-CD2 4.34Å; V68-L70 HydrophobicContact CG1-CG 4.25Å; V68-L70 PolarHBondContact O-N 2.99Å | ||
| 69 | L | 32.1 | Very low | 32.3 | Very low | 164 Ų | 164 | 141.4 Ų | 141.4 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | trans | -71.1 | 89.7 | 174.1 | -75.1 | 169.4 | 0 | 0 | 0 | 109.9 | C67 | C67-L69 PolarHBondContact O-N 2.98Å; C67-L69 VanDerWaalsContact O-N 3.09Å | ||
| 70 | L | 35.4 | Very low | 32.4 | Very low | 153 Ų | 153 | 146 Ų | 146 | 80% | 0.801 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 124.2 | 159.9 | -64 | 177 | 0 | 0 | 0 | 108.3 | V68 | V68-L70 HydrophobicContact CG1-CD2 4.34Å; V68-L70 HydrophobicContact CG1-CG 4.25Å; V68-L70 PolarHBondContact O-N 2.99Å |
| 71 | T | 37.3 | Very low | 31.9 | Very low | 139 Ų | 139 | 146.2 Ų | 146.2 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 136.1 | 177.1 | 43.1 | 0 | 0 | 0 | 0 | 111 | ||
| 72 | R | 33.2 | Very low | 31.9 | Very low | 209 Ų | 209 | 151.3 Ų | 151.3 | 79% | 0.789 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 146.3 | 176.1 | -67.8 | -177.7 | 177.8 | 176.5 | -1.3 | 111.6 | ||
| 73 | L | 30.1 | Very low | 31.6 | Very low | 175 Ų | 175 | 152.4 Ų | 152.4 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | trans | -114.8 | 134.1 | 140.6 | -81.4 | 164.4 | 0 | 0 | 0 | 107.1 | ||||
| 74 | D | 31.7 | Very low | 31.4 | Very low | 131 Ų | 131 | 151 Ų | 151 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | trans | -96.1 | 123.2 | 176.6 | -73.6 | -55.2 | 0 | 0 | 0 | 109.6 | ||||
| 75 | E | 31.4 | Very low | 31.2 | Very low | 198 Ų | 198 | 150.4 Ų | 150.4 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | trans | -121.2 | 150.7 | 159.3 | -72.6 | -153.5 | 135.5 | 0 | 0 | 110.9 | ||||
| 76 | K | 29.1 | Very low | 30.9 | Very low | 191 Ų | 191 | 156.9 Ų | 156.9 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 151.4 | -159 | -70.1 | 171.8 | -177 | 167.5 | 0 | 112.8 | ||
| 77 | P | 32.2 | Very low | 30.7 | Very low | 123 Ų | 123 | 158.7 Ų | 158.7 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -73 | 135.5 | -179.8 | 29.9 | -35.4 | 0 | 0 | 0 | 112.6 | ||
| 78 | V | 28.2 | Very low | 30.6 | Very low | 148 Ų | 148 | 161.8 Ų | 161.8 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 156 | 166.5 | 178 | 0 | 0 | 0 | 0 | 110 | ||
| 79 | N | 28 | Very low | 30.4 | Very low | 151 Ų | 151 | 164.2 Ų | 164.2 | 81% | 0.807 | 82% | 0.82 | S | S | * | * | trans | -95.1 | 176.6 | -154.3 | -117.3 | -53.4 | 0 | 0 | 0 | 116.4 | ||||
| 80 | K | 30.2 | Very low | 30.2 | Very low | 175 Ų | 175 | 165.3 Ų | 165.3 | 76% | 0.761 | 82% | 0.817 | S | S | * | * | trans | -93.3 | 137.7 | -171 | -56.2 | 161.1 | -177.2 | 167 | 0 | 113.9 | ||||
| 81 | E | 28.4 | Very low | 29.9 | Very low | 195 Ų | 195 | 162.7 Ų | 162.7 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | trans | -124.8 | 135.3 | 144.7 | -62.3 | -171.1 | 117.6 | 0 | 0 | 107.7 | ||||
| 82 | K | 30.4 | Very low | 29.5 | Very low | 173 Ų | 173 | 162.1 Ų | 162.1 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | cis | 93.1 | 89.3 | 21.9 | -70.9 | -168.7 | 170.4 | 178.3 | 0 | 116.7 | ||||
| 83 | N | 26.4 | Very low | 29.2 | Very low | 150 Ų | 150 | 161.5 Ų | 161.5 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | trans | 74.2 | 160.2 | 152.6 | -51.8 | -49.4 | 0 | 0 | 0 | 115.7 | ||||
| 84 | A | 28.6 | Very low | 29.1 | Very low | 81 Ų | 81 | 158.9 Ų | 158.9 | 67% | 0.669 | 80% | 0.802 | S | S | * | * | cis | -139.8 | 143.6 | 12.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 85 | K | 29.7 | Very low | 28.8 | Very low | 193 Ų | 193 | 161.8 Ų | 161.8 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | trans | 7.4 | 133.1 | 135.2 | -59.3 | 174.9 | 176.4 | 177.9 | 0 | 119.6 | ||||
| 86 | Y | 27.4 | Very low | 28.7 | Very low | 224 Ų | 224 | 162.6 Ų | 162.6 | 88% | 0.878 | 81% | 0.809 | S | S | * | * | -150.5 | 145.1 | 122.2 | 32.8 | -99 | 0 | 0 | 0 | 112.1 | |||||
| 87 | N | 27.4 | Very low | 28.7 | Very low | 161 Ų | 161 | 162 Ų | 162 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | -99.3 | 153.4 | 170.4 | -76 | -40.9 | 0 | 0 | 0 | 109.1 | ||||
| 88 | L | 29.7 | Very low | 28.5 | Very low | 161 Ų | 161 | 164.3 Ų | 164.3 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | -179.3 | 167.5 | 103.8 | -157.6 | 53.2 | 0 | 0 | 0 | 111.9 | |||||
| 89 | Q | 31 | Very low | 28.4 | Very low | 154 Ų | 154 | 165.1 Ų | 165.1 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | trans | -85.3 | 157.5 | -177.7 | -52.8 | 157.4 | -13.1 | 0 | 0 | 112.8 | ||||
| 90 | K | 28.1 | Very low | 28.2 | Very low | 186 Ų | 186 | 162.4 Ų | 162.4 | 81% | 0.809 | 80% | 0.795 | S | S | * | * | 174.4 | 143.4 | 113.1 | -95.6 | 166.5 | -177 | 176.9 | 0 | 117.3 | |||||
| 91 | S | 29.3 | Very low | 28.2 | Very low | 98 Ų | 98 | 161.3 Ų | 161.3 | 69% | 0.685 | 80% | 0.803 | S | S | * | * | trans | 25.5 | 114.6 | 149 | 61.1 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 92 | V | 28.9 | Very low | 28.2 | Very low | 128 Ų | 128 | 157 Ų | 157 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | 48.6 | 140.9 | 99.8 | 174.3 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 93 | K | 27.2 | Very low | 28.2 | Very low | 196 Ų | 196 | 160.5 Ų | 160.5 | 85% | 0.852 | 80% | 0.803 | S | S | * | * | trans | 83.2 | 145.2 | 169.4 | -82.2 | 164.9 | -177.9 | 177.8 | 0 | 116.7 | ||||
| 94 | V | 27.7 | Very low | 28.3 | Very low | 120 Ų | 120 | 158.6 Ų | 158.6 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | cis | -164.7 | 159.5 | -17.1 | 97.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 95 | K | 26.1 | Very low | 28.3 | Very low | 192 Ų | 192 | 160.8 Ų | 160.8 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | 33.8 | 130.4 | 160.6 | -62.2 | 172.5 | -177.4 | 172.7 | 0 | 122.1 | ||||
| 96 | K | 28.6 | Very low | 28.4 | Very low | 214 Ų | 214 | 160.9 Ų | 160.9 | 93% | 0.93 | 81% | 0.807 | S | S | * | * | -152 | -179.8 | 109.6 | -136 | 171.4 | -178.2 | 176.9 | 0 | 111.4 | |||||
| 97 | K | 28.5 | Very low | 28.4 | Very low | 180 Ų | 180 | 155.9 Ų | 155.9 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | -156.9 | 144.4 | -156 | -169.6 | -176.9 | -173.7 | 179.8 | 0 | 113.5 | ||||
| 98 | K | 27.9 | Very low | 28.2 | Very low | 171 Ų | 171 | 151.4 Ų | 151.4 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | trans | 63.7 | 136.1 | 161.5 | -92.7 | -172.2 | 173.3 | -163.9 | 0 | 119.2 | ||||
| 99 | L | 26.1 | Very low | 28.1 | Very low | 164 Ų | 164 | 152 Ų | 152 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | -160.7 | -179.7 | 100.9 | -106.5 | 168.1 | 0 | 0 | 0 | 112.2 | |||||
| 100 | S | 25.4 | Very low | 28 | Very low | 94 Ų | 94 | 150.8 Ų | 150.8 | 66% | 0.657 | 80% | 0.802 | S | S | * | * | trans | -163 | 155.2 | -162.7 | 53.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 101 | V | 29.6 | Very low | 28 | Very low | 152 Ų | 152 | 146.9 Ų | 146.9 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | -133.9 | 149.3 | -179.7 | -178.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 102 | S | 28.6 | Very low | 27.9 | Very low | 105 Ų | 105 | 148.8 Ų | 148.8 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | trans | -106 | 155.2 | -179.4 | 40.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 103 | R | 30.4 | Very low | 27.8 | Very low | 246 Ų | 246 | 147.6 Ų | 147.6 | 93% | 0.928 | 80% | 0.803 | S | S | * | * | cis | 99.2 | 113.9 | 35.4 | -164.3 | -162 | -166.9 | -165.4 | 7.1 | 114.2 | ||||
| 104 | S | 29.3 | Very low | 27.8 | Very low | 110 Ų | 110 | 144.8 Ų | 144.8 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -163.5 | -172.8 | 168.5 | 62.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 105 | T | 27.4 | Very low | 27.8 | Very low | 128 Ų | 128 | 144.2 Ų | 144.2 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | cis | -145.3 | -146.5 | -3.3 | -27.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 106 | K | 31.6 | Very low | 27.9 | Very low | 195 Ų | 195 | 142 Ų | 142 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | trans | -142.8 | 179 | 164.7 | -53.4 | -178.8 | -178.1 | 177 | 0 | 106.9 | ||||
| 107 | S | 27.6 | Very low | 28.2 | Very low | 118 Ų | 118 | 139.7 Ų | 139.7 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | cis | -168.6 | 177.3 | -5 | 21.3 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 108 | G | 23.9 | Very low | 28.1 | Very low | 67 Ų | 67 | 140.4 Ų | 140.4 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | cis | 142.8 | 150.2 | 3.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 109 | L | 27.6 | Very low | 28.1 | Very low | 174 Ų | 174 | 138.3 Ų | 138.3 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | trans | 69.3 | 159.2 | -169.6 | -121.9 | 64.2 | 0 | 0 | 0 | 112.7 | ||||
| 110 | V | 28.8 | Very low | 28.5 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 78% | 0.782 | 81% | 0.806 | S | S | * | * | cis | -135.8 | 170.8 | 12.9 | -178.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 111 | S | 27.8 | Very low | 28.6 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | trans | -134.2 | 136.8 | -175.9 | 57.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 112 | T | 26.4 | Very low | 28.6 | Very low | 139 Ų | 139 | 137.2 Ų | 137.2 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -174.5 | 160.4 | 163.1 | 30.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 113 | S | 28.2 | Very low | 28.5 | Very low | 102 Ų | 102 | 139.1 Ų | 139.1 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | cis | -167.5 | 151.1 | -22.5 | 49.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 114 | T | 27.1 | Very low | 28.3 | Very low | 138 Ų | 138 | 134 Ų | 134 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | trans | -0.4 | 133 | 161 | 49.9 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 115 | A | 27.7 | Very low | 28.3 | Very low | 108 Ų | 108 | 134.8 Ų | 134.8 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | trans | -153.3 | 166.6 | 142.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 116 | N | 27.9 | Very low | 28.4 | Very low | 145 Ų | 145 | 136.2 Ų | 136.2 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | trans | -148.8 | 152.4 | -170.3 | -169.7 | 14.9 | 0 | 0 | 0 | 113.2 | ||||
| 117 | Q | 33.8 | Very low | 28.2 | Very low | 165 Ų | 165 | 134.4 Ų | 134.4 | 77% | 0.771 | 78% | 0.78 | S | S | * | * | trans | 65.8 | 125.9 | 170.9 | -49.5 | -172.7 | 69.5 | 0 | 0 | 119.1 | ||||
| 118 | Q | 28.1 | Very low | 28.3 | Very low | 196 Ų | 196 | 136.6 Ų | 136.6 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | -176.5 | 138.3 | 114.7 | -98.8 | 171.7 | 17.8 | 0 | 0 | 112.6 | |||||
| 119 | T | 27.8 | Very low | 28.6 | Very low | 127 Ų | 127 | 137.5 Ų | 137.5 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | trans | -94.8 | 159.2 | 164.4 | -3.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 120 | P | 34 | Very low | 28.8 | Very low | 125 Ų | 125 | 137 Ų | 137 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | -145 | -173.6 | 67.6 | 38.1 | -17.3 | 0 | 0 | 0 | 115.9 | |||||
| 121 | E | 27.4 | Very low | 28.9 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 61% | 0.607 | 78% | 0.779 | S | S | * | * | trans | -77.5 | -178.4 | 178.8 | -53.5 | 173.2 | 146.9 | 0 | 0 | 113.3 | K123 | E121-K123 IonicContact OE1-NZ 3.67Å; E121-K123 PolarHBondContact OE1-NZ 3.21Å; E121-K123 IonicContact OE2-NZ 2.69Å; E121-K123 PolarHBondContact OE2-NZ 3.25Å | ||
| 122 | P | 29.6 | Very low | 29.1 | Very low | 132 Ų | 132 | 141.7 Ų | 141.7 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | -131.7 | 150.3 | 99.6 | 37.9 | -32 | 0 | 0 | 0 | 115.4 | |||||
| 123 | K | 27.1 | Very low | 29.2 | Very low | 145 Ų | 145 | 142.6 Ų | 142.6 | 63% | 0.63 | 79% | 0.788 | S | S | * | * | trans | -86.7 | 151.9 | 165.3 | -61.7 | 173.4 | 170.3 | 68.9 | 0 | 110.6 | E121 | E121-K123 IonicContact OE1-NZ 3.67Å; E121-K123 PolarHBondContact OE1-NZ 3.21Å; E121-K123 IonicContact OE2-NZ 2.69Å; E121-K123 PolarHBondContact OE2-NZ 3.25Å | ||
| 124 | T | 26.2 | Very low | 29.3 | Very low | 139 Ų | 139 | 141.2 Ų | 141.2 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -163.4 | 158.5 | 134.6 | -73.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 125 | N | 27.6 | Very low | 29.3 | Very low | 125 Ų | 125 | 140 Ų | 140 | 67% | 0.668 | 79% | 0.787 | S | S | * | * | trans | -99.7 | -177.3 | -160.8 | -42.3 | -59.1 | 0 | 0 | 0 | 113.5 | ||||
| 126 | Q | 29.6 | Very low | 29.5 | Very low | 159 Ų | 159 | 140.5 Ų | 140.5 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | trans | 74.3 | 138.2 | 151.2 | -83 | 173.4 | -94 | 0 | 0 | 115.9 | ||||
| 127 | E | 28.8 | Very low | 30 | Very low | 156 Ų | 156 | 140.3 Ų | 140.3 | 73% | 0.729 | 78% | 0.784 | S | S | * | * | cis | -143.3 | 150 | -1.4 | -53.7 | -164.8 | 141.8 | 0 | 0 | 110 | ||||
| 128 | D | 28.8 | Very low | 30 | Very low | 164 Ų | 164 | 138.6 Ų | 138.6 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | trans | -179.4 | 123.7 | 132.7 | -111.8 | -23.2 | 0 | 0 | 0 | 111.4 | ||||
| 129 | A | 31.4 | Very low | 30.3 | Very low | 87 Ų | 87 | 134.7 Ų | 134.7 | 72% | 0.719 | 77% | 0.767 | S | S | * | * | trans | -153.1 | 140.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 130 | L | 31.4 | Very low | 30.7 | Very low | 162 Ų | 162 | 133.6 Ų | 133.6 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | trans | 73.4 | 141.7 | -174.5 | -46.3 | 173.2 | 0 | 0 | 0 | 112.9 | ||||
| 131 | L | 30.8 | Very low | 30.8 | Very low | 141 Ų | 141 | 139 Ų | 139 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | cis | -127 | 134.1 | 9.3 | -74.7 | 166.3 | 0 | 0 | 0 | 112.7 | ||||
| 132 | M | 30.8 | Very low | 31.5 | Very low | 190 Ų | 190 | 141 Ų | 141 | 94% | 0.936 | 77% | 0.768 | S | S | * | * | trans | -95.5 | 119.6 | 158.5 | -88.9 | -77.6 | 152.3 | 0 | 0 | 109.1 | ||||
| 133 | L | 29.5 | Very low | 32.4 | Very low | 159 Ų | 159 | 143.7 Ų | 143.7 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | trans | -106.6 | 97 | 176.2 | -99.2 | 158.9 | 0 | 0 | 0 | 110.1 | ||||
| 134 | G | 30.2 | Very low | 33.5 | Very low | 72 Ų | 72 | 147.1 Ų | 147.1 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 133.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 135 | S | 26.6 | Very low | 34.6 | Very low | 113 Ų | 113 | 145.8 Ų | 145.8 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 142.7 | 175.6 | -55.8 | 0 | 0 | 0 | 0 | 112.2 | V137 | S135-V137 PolarHBondContact O-N 2.93Š|
| 136 | P | 32 | Very low | 35.5 | Very low | 119 Ų | 119 | 143.4 Ų | 143.4 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 128.2 | -177 | 27.8 | -34.6 | 0 | 0 | 0 | 112.4 | V138 | P136-V138 PolarHBondContact O-N 3.39Š|
| 137 | V | 38.6 | Very low | 36.6 | Very low | 140 Ų | 140 | 138.2 Ų | 138.2 | 85% | 0.848 | 73% | 0.734 | S | S | * | * | trans | -72.4 | 109.6 | 173 | 177.9 | 0 | 0 | 0 | 0 | 109.6 | S135 E139 | S135-V137 PolarHBondContact O-N 2.93Å; V137-E139 PolarHBondContact O-N 3.15Å | ||
| 138 | V | 34.6 | Very low | 38.2 | Very low | 129 Ų | 129 | 131.6 Ų | 131.6 | 78% | 0.782 | 70% | 0.704 | S | S | * | * | trans | -73.9 | 103.2 | 175.8 | -179.4 | 0 | 0 | 0 | 0 | 109.7 | P136 P140 | P136-V138 PolarHBondContact O-N 3.39Å; V138-P140 WeakPolarHBondContact O-CD 3.3Å | ||
| 139 | E | 33.8 | Very low | 40.1 | Very low | 114 Ų | 114 | 126.5 Ų | 126.5 | 53% | 0.533 | 68% | 0.676 | S | S | . | * | trans | -64.4 | 125.4 | 178.6 | -165.7 | -173.9 | -158.1 | 0 | 0 | 110.8 | V137 R141 R142 S163 | V137-E139 PolarHBondContact O-N 3.15Å; E139-R141 PolarHBondContact O-N 3.21Å; E139-R142 IonicContact OE1-NH2 2.61Å; E139-S163 PolarHBondContact OE1-OG 3.08Å | ||
| 140 | P | 36.9 | Very low | 42.2 | Very low | 105 Ų | 105 | 122.4 Ų | 122.4 | 68% | 0.682 | 64% | 0.643 | S | S | * | * | trans | -62.8 | 110.2 | 178.4 | -24.9 | 35.6 | 0 | 0 | 0 | 112.2 | V138 R142 | V138-P140 WeakPolarHBondContact O-CD 3.3Å; P140-R142 PolarHBondContact O-N 2.71Å | ||
| 141 | R | 34.6 | Very low | 44.2 | Very low | 238 Ų | 238 | 119.6 Ų | 119.6 | 90% | 0.898 | 63% | 0.626 | S | S | * | * | trans | -45 | 108.5 | 178.8 | -172.5 | -176.4 | -171.4 | 115.3 | -8.6 | 111.2 | E139 R143 | E139-R141 PolarHBondContact O-N 3.21Å; R141-R143 PolarHBondContact O-N 3.27Å | ||
| 142 | R | 43.6 | Very low | 46.1 | Very low | 171 Ų | 171 | 114.1 Ų | 114.1 | 65% | 0.645 | 60% | 0.6 | S | S | * | * | trans | -55.7 | 90.8 | -174.5 | -63.1 | -176.8 | -175.2 | -172.5 | -0.6 | 112.1 | E139 P140 S163 | E139-R142 IonicContact OE1-NH2 2.61Å; P140-R142 PolarHBondContact O-N 2.71Å; R142-S163 PolarHBondContact NH2-OG 3Å | ||
| 143 | R | 48.3 | Very low | 48.1 | Very low | 189 Ų | 189 | 105.2 Ų | 105.2 | 71% | 0.713 | 56% | 0.556 | S | S | * | * | trans | -65.8 | 147.6 | 172.6 | -63 | -175.1 | -178 | -171.9 | 0.6 | 109.4 | R141 M145 L148 | R141-R143 PolarHBondContact O-N 3.27Å; R143-M145 PolarHBondContact O-N 2.71Å; R143-L148 HydrophobicContact CB-CD2 4.01Å | ||
| 144 | R | 49.7 | Very low | 50.1 | Low | 218 Ų | 218 | 98.1 Ų | 98.1 | 82% | 0.823 | 52% | 0.519 | S | S | * | . | trans | -61.3 | 131.4 | 176.4 | -70.7 | -173.6 | 176.7 | -164.4 | -0.2 | 109 | A146 S147 | R144-A146 PolarHBondContact O-N 3.08Å; R144-S147 PolarHBondContact O-N 2.85Å; R144-S147 PolarHBondContact O-OG 2.95Å; R144-S147 VanDerWaalsContact O-OG 3.09Å | ||
| 145 | M | 48.7 | Very low | 51.8 | Low | 111 Ų | 111 | 96.7 Ų | 96.7 | 55% | 0.547 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -60.9 | -22.7 | -172.6 | -74.8 | -167.8 | -71.8 | 0 | 0 | 114.4 | R143 S147 L148 R718 | R143-M145 PolarHBondContact O-N 2.71Å; M145-S147 PolarHBondContact O-N 3.16Å; M145-L148 HydrophobicContact CG-CD1 4.42Å; M145-R718 PolarHBondContact O-NH1 3.38Å; M145-R718 PolarHBondContact O-NH2 3Å |
| 146 | A | 46.9 | Very low | 53.5 | Low | 74 Ų | 74 | 95.1 Ų | 95.1 | 61% | 0.612 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -68.5 | -13.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | R144 | R144-A146 PolarHBondContact O-N 3.08Š|
| 147 | S | 53 | Low | 55 | Low | 50 Ų | 50 | 90.4 Ų | 90.4 | 35% | 0.35 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -123.8 | 39.7 | -176.7 | 72.8 | 0 | 0 | 0 | 0 | 112.7 | R144 M145 | R144-S147 PolarHBondContact O-N 2.85Å; R144-S147 PolarHBondContact O-OG 2.95Å; R144-S147 VanDerWaalsContact O-OG 3.09Å; M145-S147 PolarHBondContact O-N 3.16Å |
| 148 | L | 61.6 | Low | 55.8 | Low | 17 Ų | 17 | 84.6 Ų | 84.6 | 9% | 0.089 | 41% | 0.413 | C | S | . | . | trans | -106.5 | 129 | 171.1 | -70.9 | 171.3 | 0 | 0 | 0 | 108.6 | R143 M145 A152 V153 L156 | R143-L148 HydrophobicContact CB-CD2 4.01Å; M145-L148 HydrophobicContact CG-CD1 4.42Å; L148-A152 HydrophobicContact CB-CB 4.39Å; L148-A152 HydrophobicContact CD2-CB 3.99Å; L148-V153 HydrophobicContact CB-CG2 4.17Å; L148-L156 HydrophobicContact CD1-CD1 3.66Å; L148-L156 HydrophobicContact CD2-CD1 3.89Å; L148-L156 HydrophobicContact CG-CD1 4.42Å | ||
| 149 | N | 69.6 | Low | 56.7 | Low | 57 Ų | 57 | 85.2 Ų | 85.2 | 31% | 0.305 | 40% | 0.402 | S | S | . | . | trans | -69.4 | 166.4 | 174.7 | 70 | -17.1 | 0 | 0 | 0 | 111.1 | E151 A152 V153 | N149-E151 VanDerWaalsContact C-N 3.26Å; N149-E151 PolarHBondContact O-N 3.15Å; N149-A152 PolarHBondContact O-N 3.44Å; N149-A152 WeakPolarHBondContact OD1-CB 2.77Å; N149-A152 PolarHBondContact OD1-N 3.37Å; N149-V153 PolarHBondContact O-N 3.46Å | ||
| 150 | A | 75.8 | Confident | 57.5 | Low | 2 Ų | 2 | 88.3 Ų | 88.3 | 2% | 0.017 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -58.5 | -36.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.8 | V153 N154 R790 V792 | A150-V153 PolarHBondContact O-N 2.91Å; A150-N154 WeakPolarHBondContact O-CB 3.38Å; A150-N154 PolarHBondContact O-N 3.03Å; A150-N154 PolarHBondContact O-OD1 3.45Å; A150-R790 WeakPolarHBondContact CB-O 3.48Å; A150-V792 HydrophobicContact CB-CG2 4.14Å |
| 151 | E | 72.9 | Confident | 57.9 | Low | 103 Ų | 103 | 87.8 Ų | 87.8 | 48% | 0.481 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.8 | -50.3 | 174.3 | 177.3 | 177 | -123.8 | 0 | 0 | 112.1 | N149 V153 N154 S155 T736 | N149-E151 VanDerWaalsContact C-N 3.26Å; N149-E151 PolarHBondContact O-N 3.15Å; E151-V153 PolarHBondContact O-N 3.24Å; E151-N154 WeakPolarHBondContact O-CB 3.42Å; E151-N154 PolarHBondContact O-N 3.11Å; E151-N154 VanDerWaalsContact O-N 3.15Å; E151-S155 PolarHBondContact O-N 3.22Å; E151-S155 PolarHBondContact O-OG 2.95Å; E151-T736 HydrophobicContact CB-CG2 4.09Å; E151-T736 HydrophobicContact CG-CG2 3.94Å |
| 152 | A | 70.6 | Confident | 58 | Low | 25 Ų | 25 | 79.3 Ų | 79.3 | 21% | 0.207 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64.4 | -27.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | L148 N149 L156 | L148-A152 HydrophobicContact CB-CB 4.39Å; L148-A152 HydrophobicContact CD2-CB 3.99Å; N149-A152 PolarHBondContact O-N 3.44Å; N149-A152 WeakPolarHBondContact OD1-CB 2.77Å; N149-A152 PolarHBondContact OD1-N 3.37Å; A152-L156 HydrophobicContact CB-CD1 4.29Å; A152-L156 WeakPolarHBondContact O-CB 3.5Å; A152-L156 WeakPolarHBondContact O-CD1 3.45Å; A152-L156 WeakPolarHBondContact O-CG 3.5Å; A152-L156 PolarHBondContact O-N 3.27Å |
| 153 | V | 72.9 | Confident | 57.6 | Low | 3 Ų | 3 | 73.3 Ų | 73.3 | 2% | 0.018 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68.9 | -53.7 | 168.4 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | L148 N149 A150 E151 S155 L156 L157 A716 V792 | L148-V153 HydrophobicContact CB-CG2 4.17Å; N149-V153 PolarHBondContact O-N 3.46Å; A150-V153 PolarHBondContact O-N 2.91Å; E151-V153 PolarHBondContact O-N 3.24Å; V153-S155 CarbonylContact O-C 3.59Å; V153-S155 PolarHBondContact O-N 3.15Å; V153-L156 PolarHBondContact O-N 3.49Å; V153-L156 VanDerWaalsContact O-N 3.16Å; V153-L157 HydrophobicContact CG1-CD1 3.66Å; V153-L157 HydrophobicContact CG1-CD2 4.23Å; V153-L157 HydrophobicContact CG1-CG 3.85Å; V153-L157 WeakPolarHBondContact O-CG 3.31Å; V153-L157 PolarHBondContact O-N 2.84Å; V153-A716 HydrophobicContact CB-CB 4.22Å; V153-A716 HydrophobicContact CG1-CB 3.77Å; V153-V792 HydrophobicContact CB-CG2 4.24Å; V153-V792 HydrophobicContact CG2-CG1 4.12Å; V153-V792 HydrophobicContact CG2-CG2 3.67Å |
| 154 | N | 70.4 | Confident | 56.9 | Low | 10 Ų | 10 | 69.5 Ų | 69.5 | 5% | 0.053 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -50.6 | -31.3 | 178.3 | -73.7 | -12.8 | 0 | 0 | 0 | 113.8 | A150 E151 K674 Y694 | A150-N154 WeakPolarHBondContact O-CB 3.38Å; A150-N154 PolarHBondContact O-N 3.03Å; A150-N154 PolarHBondContact O-OD1 3.45Å; E151-N154 WeakPolarHBondContact O-CB 3.42Å; E151-N154 PolarHBondContact O-N 3.11Å; E151-N154 VanDerWaalsContact O-N 3.15Å; N154-K674 PolarHBondContact O-NZ 2.8Å; N154-Y694 VanDerWaalsContact OD1-CE1 3.22Å; N154-Y694 WeakPolarHBondContact OD1-CE1 3.36Å; N154-Y694 PolarHBondContact OD1-OH 2.99Å |
| 155 | S | 67.3 | Low | 56.6 | Low | 43 Ų | 43 | 64.8 Ų | 64.8 | 30% | 0.301 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -84.2 | -60.2 | 171.4 | -59.5 | 0 | 0 | 0 | 0 | 112.8 | E151 V153 L157 L158 Y159 | E151-S155 PolarHBondContact O-N 3.22Å; E151-S155 PolarHBondContact O-OG 2.95Å; V153-S155 CarbonylContact O-C 3.59Å; V153-S155 PolarHBondContact O-N 3.15Å; S155-L157 PolarHBondContact O-N 2.75Å; S155-L157 VanDerWaalsContact O-N 3.1Å; S155-L158 PolarHBondContact O-N 2.97Å; S155-Y159 VanDerWaalsContact O-CD2 3.28Å; S155-Y159 WeakPolarHBondContact O-CD2 3.29Å |
| 156 | L | 62.4 | Low | 55.8 | Low | 79 Ų | 79 | 63.4 Ų | 63.4 | 41% | 0.414 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.3 | -20.1 | -169.5 | -70.8 | 167.7 | 0 | 0 | 0 | 114.6 | L148 A152 V153 L158 Y159 | L148-L156 HydrophobicContact CD1-CD1 3.66Å; L148-L156 HydrophobicContact CD2-CD1 3.89Å; L148-L156 HydrophobicContact CG-CD1 4.42Å; A152-L156 HydrophobicContact CB-CD1 4.29Å; A152-L156 WeakPolarHBondContact O-CB 3.5Å; A152-L156 WeakPolarHBondContact O-CD1 3.45Å; A152-L156 WeakPolarHBondContact O-CG 3.5Å; A152-L156 PolarHBondContact O-N 3.27Å; V153-L156 PolarHBondContact O-N 3.49Å; V153-L156 VanDerWaalsContact O-N 3.16Å; L156-L158 PolarHBondContact O-N 3.17Å; L156-L158 VanDerWaalsContact O-N 3.1Å; L156-Y159 PolarHBondContact O-N 3.27Å |
| 157 | L | 62.5 | Low | 55.2 | Low | 21 Ų | 21 | 66.7 Ų | 66.7 | 11% | 0.11 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -17.6 | 168.9 | -67.5 | 171 | 0 | 0 | 0 | 112.9 | V153 S155 F692 R718 | V153-L157 HydrophobicContact CG1-CD1 3.66Å; V153-L157 HydrophobicContact CG1-CD2 4.23Å; V153-L157 HydrophobicContact CG1-CG 3.85Å; V153-L157 WeakPolarHBondContact O-CG 3.31Å; V153-L157 PolarHBondContact O-N 2.84Å; S155-L157 PolarHBondContact O-N 2.75Å; S155-L157 VanDerWaalsContact O-N 3.1Å; L157-F692 HydrophobicContact CB-CD2 3.84Å; L157-F692 HydrophobicContact CB-CE2 4.03Å; L157-F692 HydrophobicContact CB-CG 4.21Å; L157-F692 HydrophobicContact CD1-CB 3.9Å; L157-F692 HydrophobicContact CD1-CG 4.18Å; L157-F692 HydrophobicContact CD2-CB 4.19Å; L157-F692 HydrophobicContact CD2-CD1 3.51Å; L157-F692 HydrophobicContact CD2-CD2 4.12Å; L157-F692 HydrophobicContact CD2-CE1 3.71Å; L157-F692 HydrophobicContact CD2-CE2 4.33Å; L157-F692 HydrophobicContact CD2-CG 3.69Å; L157-F692 HydrophobicContact CD2-CZ 4.13Å; L157-F692 HydrophobicContact CG-CB 4.47Å; L157-F692 HydrophobicContact CG-CD2 4.36Å; L157-F692 HydrophobicContact CG-CG 4.22Å; L157-F692 WeakPolarHBondContact O-CE2 3.3Å; L157-R718 HydrophobicContact CD2-CG 4.47Å |
| 158 | L | 56.3 | Low | 54.3 | Low | 18 Ų | 18 | 71.3 Ų | 71.3 | 9% | 0.094 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | 2.1 | -173.6 | -57.5 | 174.1 | 0 | 0 | 0 | 115.1 | S155 L156 R655 K674 | S155-L158 PolarHBondContact O-N 2.97Å; L156-L158 PolarHBondContact O-N 3.17Å; L156-L158 VanDerWaalsContact O-N 3.1Å; L158-R655 HydrophobicContact CD1-CB 3.69Å; L158-R655 HydrophobicContact CD1-CG 3.65Å; L158-R655 HydrophobicContact CD2-CG 4.14Å; L158-R655 HydrophobicContact CG-CG 4.32Å; L158-R655 PolarHBondContact O-NH2 3.4Å; L158-K674 HydrophobicContact CD1-CD 3.92Å; L158-K674 HydrophobicContact CG-CD 4.4Å |
| 159 | Y | 51.9 | Low | 52.9 | Low | 141 Ų | 141 | 76.4 Ų | 76.4 | 55% | 0.553 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -119.3 | 4.9 | -174.5 | -76.7 | -73.8 | 0 | 0 | 0 | 114.2 | S155 L156 D161 | S155-Y159 VanDerWaalsContact O-CD2 3.28Å; S155-Y159 WeakPolarHBondContact O-CD2 3.29Å; L156-Y159 PolarHBondContact O-N 3.27Å; Y159-D161 VanDerWaalsContact C-N 3.29Å; Y159-D161 PolarHBondContact O-N 3.21Å |
| 160 | R | 50.7 | Low | 51.3 | Low | 180 Ų | 180 | 83.5 Ų | 83.5 | 68% | 0.679 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -69.5 | -25.8 | -175.9 | -172.4 | 166.6 | 176.1 | 166.5 | -5 | 113.6 | G162 | R160-G162 VanDerWaalsContact C-N 3.28Å; R160-G162 PolarHBondContact O-N 2.95Å |
| 161 | D | 45.6 | Very low | 49.3 | Very low | 93 Ų | 93 | 93.2 Ų | 93.2 | 50% | 0.497 | 49% | 0.488 | S | S | . | . | G | 310 helix | trans | -76.6 | -6 | -164 | -51.9 | -10 | 0 | 0 | 0 | 114.7 | Y159 K626 | Y159-D161 VanDerWaalsContact C-N 3.29Å; Y159-D161 PolarHBondContact O-N 3.21Å; D161-K626 WeakPolarHBondContact OD2-CE 3.4Å; D161-K626 IonicContact OD2-NZ 3.95Å; D161-K626 PolarHBondContact OD2-NZ 2.9Å |
| 162 | G | 37.4 | Very low | 47.1 | Very low | 61 Ų | 61 | 93.9 Ų | 93.9 | 63% | 0.629 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -93.1 | -31.8 | -177 | 0 | 0 | 0 | 0 | 0 | 116.4 | R160 M164 | R160-G162 VanDerWaalsContact C-N 3.28Å; R160-G162 PolarHBondContact O-N 2.95Å; G162-M164 PolarHBondContact O-N 2.77Å |
| 163 | S | 34.4 | Very low | 45.1 | Very low | 45 Ų | 45 | 101.8 Ų | 101.8 | 32% | 0.315 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -77.5 | -24.1 | -165 | 171.7 | 0 | 0 | 0 | 0 | 114.1 | E139 R142 | E139-S163 PolarHBondContact OE1-OG 3.08Å; R142-S163 PolarHBondContact NH2-OG 3Å |
| 164 | M | 34.5 | Very low | 43.1 | Very low | 108 Ų | 108 | 107.7 Ų | 107.7 | 53% | 0.532 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -89.6 | -27.2 | -173 | -62.4 | -59.4 | -168.6 | 0 | 0 | 114.5 | G162 A166 | G162-M164 PolarHBondContact O-N 2.77Å; M164-A166 PolarHBondContact O-N 2.7Å |
| 165 | M | 43.5 | Very low | 41 | Very low | 119 Ų | 119 | 113 Ų | 113 | 59% | 0.586 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -75.2 | -20.7 | -167.1 | -58.8 | -165 | 87.1 | 0 | 0 | 114.6 | N167 | M165-N167 VanDerWaalsContact C-N 3.28Å; M165-N167 PolarHBondContact O-N 3.12Å |
| 166 | A | 32.2 | Very low | 39.1 | Very low | 83 Ų | 83 | 114.6 Ų | 114.6 | 69% | 0.686 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -69.9 | -18.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | M164 | M164-A166 PolarHBondContact O-N 2.7Š|
| 167 | N | 33 | Very low | 37.5 | Very low | 142 Ų | 142 | 120 Ų | 120 | 76% | 0.759 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -111 | 0.5 | -165.1 | -69.4 | -41.6 | 0 | 0 | 0 | 115.4 | M165 | M165-N167 VanDerWaalsContact C-N 3.28Å; M165-N167 PolarHBondContact O-N 3.12Å |
| 168 | L | 35.2 | Very low | 35.9 | Very low | 147 Ų | 147 | 126.4 Ų | 126.4 | 77% | 0.77 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.8 | -20.5 | -174.3 | -72.1 | 170.2 | 0 | 0 | 0 | 114.7 | K170 | L168-K170 VanDerWaalsContact C-N 3.27Å; L168-K170 PolarHBondContact O-N 2.89Å |
| 169 | T | 32.3 | Very low | 34.6 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 77% | 0.767 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -82.3 | 15.1 | -176.3 | 31.7 | 0 | 0 | 0 | 0 | 115.4 | ||
| 170 | K | 34.9 | Very low | 33.5 | Very low | 205 Ų | 205 | 131.7 Ų | 131.7 | 89% | 0.891 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -125.3 | 48.8 | 178.1 | -75.6 | -169.1 | 175 | -178.6 | 0 | 114 | L168 | L168-K170 VanDerWaalsContact C-N 3.27Å; L168-K170 PolarHBondContact O-N 2.89Å |
| 171 | K | 35.1 | Very low | 32.5 | Very low | 206 Ų | 206 | 126.8 Ų | 126.8 | 90% | 0.896 | 75% | 0.75 | S | S | * | * | trans | -153.1 | 73.2 | 165.3 | -137.4 | 172.7 | -172.1 | 179.3 | 0 | 116.2 | ||||
| 172 | S | 26.6 | Very low | 31.6 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | trans | -143.3 | 116 | 160.9 | 54.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 173 | Q | 28.1 | Very low | 32.3 | Very low | 191 Ų | 191 | 131 Ų | 131 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | trans | -91.3 | 153 | 169.1 | -82 | -160.3 | -57.1 | 0 | 0 | 110.7 | ||||
| 174 | P | 31.8 | Very low | 32 | Very low | 126 Ų | 126 | 138.3 Ų | 138.3 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -81.9 | 144.9 | 177.5 | 33.5 | -34.4 | 0 | 0 | 0 | 112.4 | ||||
| 175 | S | 25.3 | Very low | 31.7 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | -106.6 | 128.4 | 155.1 | 53.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 176 | G | 28.1 | Very low | 31.1 | Very low | 76 Ų | 76 | 140.8 Ų | 140.8 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | trans | -101.4 | 179.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 177 | E | 28.1 | Very low | 30.8 | Very low | 191 Ų | 191 | 143.5 Ų | 143.5 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | trans | -139.5 | 177.4 | 168 | -91.6 | -172.4 | 133 | 0 | 0 | 110.5 | ||||
| 178 | N | 28.2 | Very low | 30.5 | Very low | 157 Ų | 157 | 142.1 Ų | 142.1 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | trans | -110.6 | 149.1 | -144.1 | -49.3 | -81.1 | 0 | 0 | 0 | 116.5 | ||||
| 179 | A | 30.3 | Very low | 30.2 | Very low | 96 Ų | 96 | 140.5 Ų | 140.5 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | trans | -160 | 107.8 | 143.4 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 180 | D | 28.7 | Very low | 29.9 | Very low | 174 Ų | 174 | 138.7 Ų | 138.7 | 93% | 0.93 | 82% | 0.815 | S | S | * | * | 77 | 129.2 | 74.3 | -165.3 | 20.3 | 0 | 0 | 0 | 113.1 | |||||
| 181 | G | 28.4 | Very low | 29.4 | Very low | 76 Ų | 76 | 133.2 Ų | 133.2 | 78% | 0.784 | 82% | 0.817 | S | S | * | * | trans | 142.1 | 68.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 182 | D | 28 | Very low | 29 | Very low | 151 Ų | 151 | 127.2 Ų | 127.2 | 81% | 0.807 | 81% | 0.813 | S | S | * | * | trans | -94.1 | 179 | 167.3 | -146.8 | 12.8 | 0 | 0 | 0 | 109.5 | ||||
| 183 | P | 51.8 | Low | 29.2 | Very low | 93 Ų | 93 | 131.1 Ų | 131.1 | 60% | 0.604 | 82% | 0.815 | S | S | * | * | cis | -130.3 | 165.9 | -23.6 | 34 | -17.2 | 0 | 0 | 0 | 114.8 | ||||
| 184 | K | 27.8 | Very low | 29.2 | Very low | 197 Ų | 197 | 133.9 Ų | 133.9 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | 170.9 | 129.3 | 117.2 | -100.1 | 175.5 | 177.5 | 167.9 | 0 | 118.5 | |||||
| 185 | A | 28.7 | Very low | 29.1 | Very low | 78 Ų | 78 | 133.1 Ų | 133.1 | 65% | 0.645 | 82% | 0.822 | S | S | * | * | 79.3 | 128.1 | 123 | 0 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 186 | K | 31.5 | Very low | 29.4 | Very low | 201 Ų | 201 | 136.5 Ų | 136.5 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | 71.6 | 154.2 | 145.3 | -71.1 | 176.1 | 179.1 | -177.2 | 0 | 118.7 | ||||
| 187 | N | 25 | Very low | 29.3 | Very low | 141 Ų | 141 | 142.8 Ų | 142.8 | 75% | 0.754 | 83% | 0.827 | S | S | * | * | cis | -169.4 | 173 | -35.5 | -149.9 | 5.1 | 0 | 0 | 0 | 108.1 | ||||
| 188 | V | 27.7 | Very low | 29.5 | Very low | 112 Ų | 112 | 142 Ų | 142 | 68% | 0.679 | 82% | 0.823 | S | S | * | * | trans | 61.1 | 102 | 157.3 | 170.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 189 | S | 28.1 | Very low | 29.5 | Very low | 113 Ų | 113 | 143.7 Ų | 143.7 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | 64.2 | 117.2 | 65.7 | 83.9 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 190 | G | 26.3 | Very low | 29.6 | Very low | 87 Ų | 87 | 146.4 Ų | 146.4 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | trans | 172.4 | 125.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 191 | G | 24.9 | Very low | 29.7 | Very low | 90 Ų | 90 | 147 Ų | 147 | 93% | 0.928 | 82% | 0.821 | S | S | * | * | trans | -117.7 | 147.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 192 | G | 26.9 | Very low | 29.9 | Very low | 80 Ų | 80 | 148.1 Ų | 148.1 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | trans | -150.3 | 152.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 193 | K | 30 | Very low | 30.4 | Very low | 200 Ų | 200 | 149.9 Ų | 149.9 | 87% | 0.87 | 83% | 0.827 | S | S | * | * | trans | -115.5 | 138 | -168 | -69.9 | 176.4 | -179.3 | 170.1 | 0 | 113.6 | ||||
| 194 | R | 28 | Very low | 29.4 | Very low | 250 Ų | 250 | 151.1 Ų | 151.1 | 94% | 0.943 | 84% | 0.837 | S | S | * | * | trans | 54.1 | 118.4 | 149.8 | -71.1 | -178.2 | 169.2 | -179.5 | -3.6 | 119.6 | ||||
| 195 | A | 28.7 | Very low | 30.4 | Very low | 109 Ų | 109 | 147.4 Ų | 147.4 | 90% | 0.901 | 83% | 0.825 | S | S | * | * | trans | -129.3 | 163.7 | 131 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 196 | K | 32.5 | Very low | 31.5 | Very low | 195 Ų | 195 | 147.7 Ų | 147.7 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | trans | -124.8 | 126.9 | -167.5 | -178.5 | -171.9 | 179.8 | -170.9 | 0 | 111.2 | ||||
| 197 | K | 26 | Very low | 32.3 | Very low | 208 Ų | 208 | 146.7 Ų | 146.7 | 90% | 0.904 | 81% | 0.807 | S | S | * | * | trans | -149.9 | 135.9 | 162.7 | -155.4 | 165.8 | -173.3 | 173.8 | 0 | 110.6 | ||||
| 198 | Q | 33.2 | Very low | 33.5 | Very low | 173 Ų | 173 | 146.7 Ų | 146.7 | 81% | 0.808 | 81% | 0.806 | S | S | * | * | trans | -81.1 | 147.2 | 171.6 | -71.2 | 158.9 | -95.9 | 0 | 0 | 109.9 | ||||
| 199 | K | 27.8 | Very low | 34.4 | Very low | 194 Ų | 194 | 145.7 Ų | 145.7 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | -155.7 | 137.8 | 147 | -165.6 | 176.2 | -179.8 | -177.6 | 0 | 108.9 | ||||
| 200 | D | 31.9 | Very low | 35.2 | Very low | 152 Ų | 152 | 146 Ų | 146 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | -65.1 | 145.3 | 174.6 | -46.2 | -84 | 0 | 0 | 0 | 111 | ||||
| 201 | Q | 30.5 | Very low | 36 | Very low | 187 Ų | 187 | 149.2 Ų | 149.2 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | -115.5 | 119.8 | 163.1 | -72 | -170.4 | -3.5 | 0 | 0 | 108.2 | ||||
| 202 | A | 32.9 | Very low | 36.8 | Very low | 99 Ų | 99 | 148.3 Ų | 148.3 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -71.8 | 131.1 | 159.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | S204 | A202-S204 PolarHBondContact O-N 2.85Š| ||
| 203 | E | 37.4 | Very low | 37.6 | Very low | 189 Ų | 189 | 150.5 Ų | 150.5 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | -65.3 | 129 | 177.2 | -64.9 | -175.9 | 131.1 | 0 | 0 | 109.9 | I205 | E203-I205 PolarHBondContact O-N 3.15Š| ||
| 204 | S | 31.7 | Very low | 38 | Very low | 119 Ų | 119 | 147.2 Ų | 147.2 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | -72.4 | 112.7 | 178.6 | 56.3 | 0 | 0 | 0 | 0 | 110.1 | A202 D206 | A202-S204 PolarHBondContact O-N 2.85Å; S204-D206 PolarHBondContact O-N 2.82Å | ||
| 205 | I | 48.5 | Very low | 38.6 | Very low | 118 Ų | 118 | 141.2 Ų | 141.2 | 61% | 0.605 | 77% | 0.766 | S | S | * | * | trans | -58.1 | 122 | 176 | -63.9 | 172.1 | 0 | 0 | 0 | 109.9 | E203 W207 | E203-I205 PolarHBondContact O-N 3.15Å; I205-W207 VanDerWaalsContact O-CD1 3.29Å; I205-W207 PolarHBondContact O-N 3.09Å | ||
| 206 | D | 51.6 | Low | 39.1 | Very low | 84 Ų | 84 | 147.3 Ų | 147.3 | 45% | 0.449 | 77% | 0.766 | S | S | . | * | trans | -73.5 | 110.2 | 169.9 | 168.6 | 45 | 0 | 0 | 0 | 110.5 | S204 L208 S209 | S204-D206 PolarHBondContact O-N 2.82Å; D206-L208 VanDerWaalsContact C-N 3.29Å; D206-L208 PolarHBondContact O-N 2.92Å; D206-L208 WeakPolarHBondContact OD1-CB 3.43Å; D206-L208 PolarHBondContact OD1-N 2.88Å; D206-S209 WeakPolarHBondContact OD2-CB 3.34Å; D206-S209 PolarHBondContact OD2-N 2.84Å; D206-S209 PolarHBondContact OD2-OG 3.16Å | ||
| 207 | W | 49.3 | Very low | 39.5 | Very low | 181 Ų | 181 | 149.9 Ų | 149.9 | 69% | 0.686 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -73.9 | -15.7 | 178.9 | -64.9 | 96.1 | 0 | 0 | 0 | 113.7 | I205 S209 L210 | I205-W207 VanDerWaalsContact O-CD1 3.29Å; I205-W207 PolarHBondContact O-N 3.09Å; W207-S209 VanDerWaalsContact C-N 3.34Å; W207-L210 HydrophobicContact CE3-CD1 3.68Å; W207-L210 HydrophobicContact CZ3-CD1 3.87Å; W207-L210 PolarHBondContact O-N 3.15Å |
| 208 | L | 50.7 | Low | 40.2 | Very low | 141 Ų | 141 | 148.9 Ų | 148.9 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -72.5 | -30 | 177.8 | -81.6 | 65.8 | 0 | 0 | 0 | 111.8 | D206 L210 L211 | D206-L208 VanDerWaalsContact C-N 3.29Å; D206-L208 PolarHBondContact O-N 2.92Å; D206-L208 WeakPolarHBondContact OD1-CB 3.43Å; D206-L208 PolarHBondContact OD1-N 2.88Å; L208-L210 PolarHBondContact O-N 3.33Å; L208-L210 VanDerWaalsContact O-N 3.16Å; L208-L211 PolarHBondContact O-N 3.36Å |
| 209 | S | 45.5 | Very low | 40.8 | Very low | 90 Ų | 90 | 145.1 Ų | 145.1 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -64.3 | -14.7 | 176.9 | -69.3 | 0 | 0 | 0 | 0 | 114.5 | D206 W207 | D206-S209 WeakPolarHBondContact OD2-CB 3.34Å; D206-S209 PolarHBondContact OD2-N 2.84Å; D206-S209 PolarHBondContact OD2-OG 3.16Å; W207-S209 VanDerWaalsContact C-N 3.34Å |
| 210 | L | 44 | Very low | 41.7 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 63% | 0.634 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -87.5 | -8.8 | 179.4 | -78.3 | 165.1 | 0 | 0 | 0 | 114.9 | W207 L208 | W207-L210 HydrophobicContact CE3-CD1 3.68Å; W207-L210 HydrophobicContact CZ3-CD1 3.87Å; W207-L210 PolarHBondContact O-N 3.15Å; L208-L210 PolarHBondContact O-N 3.33Å; L208-L210 VanDerWaalsContact O-N 3.16Å |
| 211 | L | 43.4 | Very low | 42.8 | Very low | 154 Ų | 154 | 138.1 Ų | 138.1 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -104.8 | 7 | -176.9 | -68.7 | 173.3 | 0 | 0 | 0 | 114.3 | L208 | L208-L211 PolarHBondContact O-N 3.36Š|
| 212 | A | 42.6 | Very low | 44.5 | Very low | 71 Ų | 71 | 134.1 Ų | 134.1 | 59% | 0.587 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -69 | 129.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | T214 | A212-T214 PolarHBondContact O-N 3.34Š|
| 213 | P | 43.1 | Very low | 45.2 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 123.2 | 178.2 | 26.4 | -33.4 | 0 | 0 | 0 | 110.6 | ||
| 214 | T | 38.2 | Very low | 45.9 | Very low | 130 Ų | 130 | 127.2 Ų | 127.2 | 80% | 0.798 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 134.8 | -175.9 | 36.3 | 0 | 0 | 0 | 0 | 112.2 | A212 R216 | A212-T214 PolarHBondContact O-N 3.34Å; T214-R216 PolarHBondContact O-N 3.48Å |
| 215 | P | 41.6 | Very low | 46.9 | Very low | 124 Ų | 124 | 124.2 Ų | 124.2 | 81% | 0.805 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 126.5 | 177.7 | 26.1 | -33.4 | 0 | 0 | 0 | 109.9 | R217 | P215-R217 PolarHBondContact O-N 2.69Š|
| 216 | R | 38 | Very low | 47 | Very low | 238 Ų | 238 | 123.3 Ų | 123.3 | 90% | 0.898 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 128.5 | 175.4 | -78.2 | -176.8 | 172.8 | 165.1 | 0.9 | 109.7 | T214 Q218 | T214-R216 PolarHBondContact O-N 3.48Å; R216-Q218 PolarHBondContact O-N 2.98Å; R216-Q218 VanDerWaalsContact O-N 3.1Å |
| 217 | R | 41.5 | Very low | 47.1 | Very low | 249 Ų | 249 | 125.9 Ų | 125.9 | 94% | 0.94 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 117.3 | 171.6 | -67.9 | -176.6 | 175.4 | -164.9 | -2.1 | 109.9 | P215 | P215-R217 PolarHBondContact O-N 2.69Š|
| 218 | Q | 41.5 | Very low | 47.2 | Very low | 186 Ų | 186 | 126.2 Ų | 126.2 | 87% | 0.869 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 166.5 | 159.7 | -72.7 | 176.2 | -43 | 0 | 0 | 109.3 | R216 | R216-Q218 PolarHBondContact O-N 2.98Å; R216-Q218 VanDerWaalsContact O-N 3.1Å |
| 219 | A | 44.8 | Very low | 46.9 | Very low | 95 Ų | 95 | 126 Ų | 126 | 79% | 0.785 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 141.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | L221 | A219-L221 PolarHBondContact O-N 3.47Š|
| 220 | G | 46.9 | Very low | 46.8 | Very low | 80 Ų | 80 | 126.5 Ų | 126.5 | 83% | 0.825 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 116.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 221 | L | 54.6 | Low | 46.4 | Very low | 118 Ų | 118 | 124.7 Ų | 124.7 | 62% | 0.618 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 136.7 | 165.2 | -65.6 | 172.5 | 0 | 0 | 0 | 109 | A219 | A219-L221 PolarHBondContact O-N 3.47Š|
| 222 | T | 66.9 | Low | 46.1 | Very low | 104 Ų | 104 | 122 Ų | 122 | 64% | 0.638 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 149.5 | 177.3 | 50.1 | 0 | 0 | 0 | 0 | 110.7 | A224 T225 | T222-A224 PolarHBondContact O-N 3.36Å; T222-A224 VanDerWaalsContact O-N 3.1Å; T222-T225 WeakPolarHBondContact O-CB 3.48Å; T222-T225 PolarHBondContact O-N 3.16Å; T222-T225 PolarHBondContact O-OG1 3.04Å; T222-T225 PolarHBondContact OG1-OG1 2.99Å |
| 223 | A | 47.1 | Very low | 46.3 | Very low | 69 Ų | 69 | 125.2 Ų | 125.2 | 57% | 0.57 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -55.7 | -33.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114 | T225 L226 L227 | A223-T225 PolarHBondContact O-N 3.43Å; A223-L226 PolarHBondContact O-N 3.5Å; A223-L226 VanDerWaalsContact O-N 3.14Å; A223-L227 PolarHBondContact O-N 3Å; A223-L227 VanDerWaalsContact O-N 3.15Å |
| 224 | A | 53.4 | Low | 45.6 | Very low | 73 Ų | 73 | 130.5 Ų | 130.5 | 60% | 0.603 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -59.1 | -24.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | T222 | T222-A224 PolarHBondContact O-N 3.36Å; T222-A224 VanDerWaalsContact O-N 3.1Å |
| 225 | T | 52.4 | Low | 45.4 | Very low | 57 Ų | 57 | 132.1 Ų | 132.1 | 35% | 0.35 | 72% | 0.72 | S | S | . | * | H | α-helix | trans | -79 | -38.1 | 176.4 | -18.5 | 0 | 0 | 0 | 0 | 111.9 | T222 A223 K228 | T222-T225 WeakPolarHBondContact O-CB 3.48Å; T222-T225 PolarHBondContact O-N 3.16Å; T222-T225 PolarHBondContact O-OG1 3.04Å; T222-T225 PolarHBondContact OG1-OG1 2.99Å; A223-T225 PolarHBondContact O-N 3.43Å; T225-K228 PolarHBondContact O-N 3.43Å |
| 226 | L | 49.7 | Very low | 45 | Very low | 99 Ų | 99 | 133.1 Ų | 133.1 | 52% | 0.518 | 72% | 0.724 | S | S | . | * | H | α-helix | trans | -69.1 | -40.7 | 178.3 | -75 | 166.5 | 0 | 0 | 0 | 111.5 | A223 K228 L229 | A223-L226 PolarHBondContact O-N 3.5Å; A223-L226 VanDerWaalsContact O-N 3.14Å; L226-K228 PolarHBondContact O-N 3.32Å; L226-K228 VanDerWaalsContact O-N 3.14Å; L226-L229 PolarHBondContact O-N 3.12Å |
| 227 | L | 54.6 | Low | 44.9 | Very low | 137 Ų | 137 | 131.9 Ų | 131.9 | 72% | 0.717 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -12.1 | 179 | -68.2 | 171.6 | 0 | 0 | 0 | 114.2 | A223 | A223-L227 PolarHBondContact O-N 3Å; A223-L227 VanDerWaalsContact O-N 3.15Å |
| 228 | K | 50.6 | Low | 44.4 | Very low | 189 Ų | 189 | 132.1 Ų | 132.1 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -4.1 | 171.7 | -78.4 | -172.7 | 173.3 | -177.8 | 0 | 114.4 | T225 L226 | T225-K228 PolarHBondContact O-N 3.43Å; L226-K228 PolarHBondContact O-N 3.32Å; L226-K228 VanDerWaalsContact O-N 3.14Å |
| 229 | L | 44.8 | Very low | 44 | Very low | 135 Ų | 135 | 132.2 Ų | 132.2 | 71% | 0.707 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | -10.6 | -175.2 | -69.3 | 170.6 | 0 | 0 | 0 | 114.2 | L226 | L226-L229 PolarHBondContact O-N 3.12Š|
| 230 | T | 43 | Very low | 43.3 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 62% | 0.62 | 73% | 0.728 | S | S | * | * | trans | -102.7 | 9.9 | -175.5 | 49.7 | 0 | 0 | 0 | 0 | 114.9 | S232 | T230-S232 VanDerWaalsContact C-N 3.34Å; T230-S232 PolarHBondContact O-N 3.26Å | ||
| 231 | G | 36 | Very low | 42.5 | Very low | 84 Ų | 84 | 141.1 Ų | 141.1 | 87% | 0.866 | 73% | 0.725 | S | S | * | * | trans | -70 | 79.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 232 | S | 37.8 | Very low | 41.2 | Very low | 97 Ų | 97 | 141.6 Ų | 141.6 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | trans | -108.2 | 116.1 | -167.9 | 166.9 | 0 | 0 | 0 | 0 | 114.3 | T230 | T230-S232 VanDerWaalsContact C-N 3.34Å; T230-S232 PolarHBondContact O-N 3.26Å | ||
| 233 | Q | 45 | Very low | 39.3 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 65% | 0.645 | 74% | 0.735 | S | S | * | * | trans | 62.7 | 137.2 | 149.9 | -56 | -81.7 | -33.9 | 0 | 0 | 118.8 | ||||
| 234 | Y | 29.7 | Very low | 38.5 | Very low | 237 Ų | 237 | 146.5 Ų | 146.5 | 93% | 0.929 | 76% | 0.755 | S | S | * | * | -149 | 142.2 | 120.2 | -120.8 | -83.2 | 0 | 0 | 0 | 110.2 | |||||
| 235 | K | 33.3 | Very low | 37.2 | Very low | 164 Ų | 164 | 147.1 Ų | 147.1 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | trans | -104.3 | 152.2 | -178.8 | -69.1 | 175.1 | -178.4 | 169.5 | 0 | 110.8 | ||||
| 236 | T | 32.6 | Very low | 36 | Very low | 146 Ų | 146 | 147.4 Ų | 147.4 | 90% | 0.896 | 78% | 0.782 | S | S | * | * | trans | -159.2 | 142.9 | 141.8 | -0.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 237 | K | 37.3 | Very low | 35 | Very low | 211 Ų | 211 | 148 Ų | 148 | 92% | 0.917 | 80% | 0.795 | S | S | * | * | trans | -95.7 | 141.9 | 167.5 | -76.7 | -175.9 | 175.1 | -178.4 | 0 | 108.9 | ||||
| 238 | R | 31.5 | Very low | 33.8 | Very low | 255 Ų | 255 | 148.5 Ų | 148.5 | 96% | 0.962 | 80% | 0.798 | S | S | * | * | trans | -145.4 | 127.9 | 159.8 | -141.4 | 175.1 | -171.7 | -176.4 | 2 | 109.7 | ||||
| 239 | Q | 33.1 | Very low | 33 | Very low | 187 Ų | 187 | 145.6 Ų | 145.6 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | -92 | 155.4 | 167 | -74.8 | -178.9 | -36.7 | 0 | 0 | 109.5 | ||||
| 240 | K | 30 | Very low | 32.4 | Very low | 190 Ų | 190 | 146.4 Ų | 146.4 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | 143.4 | 132.1 | 116.5 | -168.4 | 172.8 | -178.3 | 178.4 | 0 | 113.9 | |||||
| 241 | K | 29.3 | Very low | 32.5 | Very low | 172 Ų | 172 | 147 Ų | 147 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | 73.6 | 110.2 | 155.2 | -96.1 | -159.7 | 167.7 | -164.4 | 0 | 122.8 | ||||
| 242 | T | 26.9 | Very low | 32.2 | Very low | 128 Ų | 128 | 149.2 Ų | 149.2 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | 60.3 | 121.5 | 121.1 | 55.9 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 243 | G | 26.2 | Very low | 31.8 | Very low | 67 Ų | 67 | 151 Ų | 151 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | trans | -174.2 | 112.2 | 147.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 244 | Q | 30.6 | Very low | 31 | Very low | 210 Ų | 210 | 148.1 Ų | 148.1 | 98% | 0.981 | 82% | 0.821 | S | S | * | * | 45.9 | 122.9 | 96.5 | -72.8 | -177.8 | -27.4 | 0 | 0 | 113.7 | |||||
| 245 | G | 26.2 | Very low | 31 | Very low | 85 Ų | 85 | 140.1 Ų | 140.1 | 88% | 0.876 | 81% | 0.811 | S | S | * | * | cis | 174.8 | 172.4 | -3.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 246 | G | 27.9 | Very low | 30.9 | Very low | 63 Ų | 63 | 139 Ų | 139 | 65% | 0.649 | 82% | 0.818 | S | S | * | * | cis | 172.2 | 162.3 | -4.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 247 | S | 29.5 | Very low | 30.9 | Very low | 113 Ų | 113 | 137.1 Ų | 137.1 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | 64.2 | 150.1 | -178.3 | 74.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 248 | N | 28.6 | Very low | 31.1 | Very low | 146 Ų | 146 | 135.1 Ų | 135.1 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | cis | -165.3 | 163.4 | -8.7 | -105.9 | 3.9 | 0 | 0 | 0 | 107 | ||||
| 249 | V | 32.8 | Very low | 31.2 | Very low | 128 Ų | 128 | 128 Ų | 128 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | cis | -149.6 | 161 | -0 | -109.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 250 | D | 33.5 | Very low | 31.2 | Very low | 153 Ų | 153 | 128.8 Ų | 128.8 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -101.7 | 154.7 | 158.8 | -94.6 | -52.4 | 0 | 0 | 0 | 108.9 | ||||
| 251 | P | 44.9 | Very low | 31.3 | Very low | 112 Ų | 112 | 125.4 Ų | 125.4 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | -156.9 | 162.2 | 59.2 | 42.5 | -20.9 | 0 | 0 | 0 | 120.8 | |||||
| 252 | V | 30.2 | Very low | 31.3 | Very low | 132 Ų | 132 | 129 Ų | 129 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | trans | 60.1 | 108 | 135.7 | 177.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 253 | C | 28.9 | Very low | 31.7 | Very low | 134 Ų | 134 | 131.9 Ų | 131.9 | 91% | 0.905 | 79% | 0.787 | S | S | * | * | 51.5 | 125.7 | 126.2 | -154.2 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 254 | G | 27.4 | Very low | 32.7 | Very low | 77 Ų | 77 | 135 Ų | 135 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | 176.4 | 158.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 255 | G | 29.7 | Very low | 32.7 | Very low | 69 Ų | 69 | 133.6 Ų | 133.6 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | -148.1 | -164.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 256 | T | 31.8 | Very low | 32.9 | Very low | 140 Ų | 140 | 133.7 Ų | 133.7 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | trans | 98.1 | 110.3 | 172.3 | 68.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 257 | T | 33.4 | Very low | 32.9 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 66% | 0.663 | 79% | 0.791 | S | S | * | * | 71.1 | 105 | 114.5 | -45.5 | 0 | 0 | 0 | 0 | 124 | |||||
| 258 | Q | 41.3 | Very low | 32.7 | Very low | 169 Ų | 169 | 139.5 Ų | 139.5 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | 62.5 | 176.6 | 145.8 | -55.7 | 178.2 | 28.5 | 0 | 0 | 118.3 | ||||
| 259 | T | 33.3 | Very low | 32.6 | Very low | 106 Ų | 106 | 141.3 Ų | 141.3 | 65% | 0.65 | 79% | 0.789 | S | S | * | * | cis | -159.5 | 160.4 | 6.8 | -19 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 260 | K | 32.2 | Very low | 32.4 | Very low | 202 Ų | 202 | 142.5 Ų | 142.5 | 88% | 0.878 | 79% | 0.787 | S | S | * | * | trans | 148.9 | 171.3 | 136.2 | -82.9 | 167.7 | -176.3 | 173.1 | 0 | 114.3 | ||||
| 261 | T | 33.7 | Very low | 32.7 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | -169.8 | 132.5 | -82.2 | -68 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 262 | R | 29.3 | Very low | 31.9 | Very low | 247 Ų | 247 | 140.4 Ų | 140.4 | 93% | 0.932 | 77% | 0.774 | S | S | * | * | trans | 177.9 | 165.1 | 134.7 | -102.8 | 177.9 | 173.4 | -165.9 | -3.7 | 115 | ||||
| 263 | R | 34.4 | Very low | 31.8 | Very low | 190 Ų | 190 | 142.1 Ų | 142.1 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | trans | -118.9 | -180 | 177.1 | -58.4 | -177.7 | -177.7 | 165.4 | -1.7 | 110.8 | H265 | R263-H265 PolarHBondContact NH1-NE2 3.33Š| ||
| 264 | P | 47.2 | Very low | 31.8 | Very low | 132 Ų | 132 | 144.7 Ų | 144.7 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | -139.2 | -169.9 | 93.7 | 37.6 | -22.8 | 0 | 0 | 0 | 115.8 | |||||
| 265 | H | 30.2 | Very low | 31.8 | Very low | 180 Ų | 180 | 152.2 Ų | 152.2 | 83% | 0.833 | 77% | 0.774 | S | S | * | * | trans | -135.5 | 150.8 | -172.5 | -92.6 | -84.2 | 0 | 0 | 0 | 112.2 | R263 | R263-H265 PolarHBondContact NH1-NE2 3.33Š| ||
| 266 | A | 31.1 | Very low | 32 | Very low | 88 Ų | 88 | 157 Ų | 157 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -169.7 | 127.6 | 155.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 267 | K | 28.8 | Very low | 32.3 | Very low | 202 Ų | 202 | 155.2 Ų | 155.2 | 88% | 0.878 | 77% | 0.768 | S | S | * | * | 69.1 | 143 | 76.8 | -70.6 | -172.7 | 178.5 | -171.3 | 0 | 115.1 | |||||
| 268 | S | 24.9 | Very low | 31.9 | Very low | 96 Ų | 96 | 157.1 Ų | 157.1 | 67% | 0.671 | 77% | 0.774 | S | S | * | * | cis | -177.4 | 154.5 | -16.4 | 52.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 269 | E | 26.4 | Very low | 31.2 | Very low | 184 Ų | 184 | 153.3 Ų | 153.3 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | 75 | 129.5 | 153.7 | -42.9 | -136.4 | 127.8 | 0 | 0 | 122.7 | ||||
| 270 | E | 27.8 | Very low | 30.7 | Very low | 153 Ų | 153 | 155.8 Ų | 155.8 | 72% | 0.715 | 78% | 0.776 | S | S | * | * | trans | 32.5 | 169.7 | 132 | -86 | -126.3 | 98.6 | 0 | 0 | 123.8 | L272 | E270-L272 PolarHBondContact OE1-N 2.92Š| ||
| 271 | P | 40.3 | Very low | 30.4 | Very low | 104 Ų | 104 | 154.4 Ų | 154.4 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | cis | -137.9 | 158.6 | 12.6 | 25 | 0.9 | 0 | 0 | 0 | 120.7 | ||||
| 272 | L | 27.9 | Very low | 31 | Very low | 116 Ų | 116 | 153.9 Ų | 153.9 | 61% | 0.607 | 77% | 0.769 | S | S | * | * | trans | 58.4 | 139.6 | 134.9 | -63.3 | 173.5 | 0 | 0 | 0 | 127.1 | E270 | E270-L272 PolarHBondContact OE1-N 2.92Š| ||
| 273 | K | 28 | Very low | 31 | Very low | 169 Ų | 169 | 146.7 Ų | 146.7 | 74% | 0.735 | 76% | 0.762 | S | S | * | * | trans | 86.7 | 109 | 136.1 | -78.4 | 162.4 | -173.7 | 169.6 | 0 | 123.6 | ||||
| 274 | H | 29.4 | Very low | 30.7 | Very low | 187 Ų | 187 | 146.3 Ų | 146.3 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | 28.3 | 133.8 | 121.9 | -81.4 | -73.8 | 0 | 0 | 0 | 121.3 | |||||
| 275 | R | 26.2 | Very low | 29.8 | Very low | 236 Ų | 236 | 144 Ų | 144 | 89% | 0.891 | 76% | 0.755 | S | S | * | * | 159.4 | 135.1 | 96.5 | -167.1 | 161.9 | -172.8 | 170.8 | 1.7 | 112.8 | |||||
| 276 | Q | 34.3 | Very low | 29.6 | Very low | 169 Ų | 169 | 143.6 Ų | 143.6 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | trans | -82.1 | 145.6 | 163.2 | -78.7 | -90.6 | -5.6 | 0 | 0 | 109.1 | ||||
| 277 | P | 39.3 | Very low | 29.2 | Very low | 102 Ų | 102 | 147.4 Ų | 147.4 | 66% | 0.662 | 76% | 0.756 | S | S | * | * | -157.4 | 162.5 | 88.3 | 40.9 | -21 | 0 | 0 | 0 | 119.2 | |||||
| 278 | D | 24.6 | Very low | 29.3 | Very low | 149 Ų | 149 | 142.9 Ų | 142.9 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | trans | 52.9 | 140.9 | 134.8 | -52.3 | -21.8 | 0 | 0 | 0 | 126.4 | ||||
| 279 | A | 26.2 | Very low | 29.4 | Very low | 89 Ų | 89 | 143 Ų | 143 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | trans | 79.5 | 99.6 | 138.9 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 280 | E | 23 | Very low | 29.4 | Very low | 157 Ų | 157 | 139.2 Ų | 139.2 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | 52.3 | 155.2 | 124.7 | -59.9 | -164.1 | 114.3 | 0 | 0 | 126 | |||||
| 281 | F | 26.3 | Very low | 29.4 | Very low | 173 Ų | 173 | 138.3 Ų | 138.3 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | trans | 81.4 | 157 | 159.7 | -57.5 | -61.3 | 0 | 0 | 0 | 119.6 | ||||
| 282 | P | 45.8 | Very low | 28.7 | Very low | 109 Ų | 109 | 136.5 Ų | 136.5 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | cis | -143 | 165.6 | -44.1 | 39.5 | -24.7 | 0 | 0 | 0 | 116.2 | ||||
| 283 | A | 29.6 | Very low | 28.8 | Very low | 96 Ų | 96 | 139.4 Ų | 139.4 | 79% | 0.793 | 77% | 0.767 | S | S | * | * | trans | 62.6 | 162.4 | 150.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 284 | Q | 26.6 | Very low | 28.6 | Very low | 181 Ų | 181 | 137.3 Ų | 137.3 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | cis | -138.5 | 172.2 | 11.7 | -78.9 | -174.4 | 62.6 | 0 | 0 | 108.8 | ||||
| 285 | S | 28.3 | Very low | 28.5 | Very low | 83 Ų | 83 | 137 Ų | 137 | 58% | 0.58 | 77% | 0.771 | S | S | * | * | cis | -172.7 | 167.7 | -24.4 | 60.1 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 286 | K | 25.9 | Very low | 29.4 | Very low | 173 Ų | 173 | 131.3 Ų | 131.3 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | cis | -131.3 | -158 | 16.5 | -70.8 | 154.2 | -176.5 | 163.9 | 0 | 107.7 | ||||
| 287 | M | 24.1 | Very low | 28.8 | Very low | 168 Ų | 168 | 126.9 Ų | 126.9 | 83% | 0.828 | 76% | 0.764 | S | S | * | * | cis | -148.1 | -137.7 | 5.1 | -161.7 | 89.2 | 84 | 0 | 0 | 109.5 | ||||
| 288 | S | 30.3 | Very low | 28.1 | Very low | 106 Ų | 106 | 126.8 Ų | 126.8 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | trans | -153.8 | 167.1 | -174 | 61.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 289 | C | 26.8 | Very low | 28.1 | Very low | 100 Ų | 100 | 124.5 Ų | 124.5 | 68% | 0.676 | 77% | 0.774 | S | S | * | * | cis | -154.2 | 156.4 | 4.7 | -151.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 290 | C | 27.6 | Very low | 28.1 | Very low | 103 Ų | 103 | 125.5 Ų | 125.5 | 70% | 0.696 | 78% | 0.782 | S | S | * | * | 41.3 | 137.3 | 123.7 | -35.2 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 291 | C | 27.7 | Very low | 28.3 | Very low | 134 Ų | 134 | 121.5 Ų | 121.5 | 91% | 0.905 | 78% | 0.783 | S | S | * | * | cis | -170.2 | 174.1 | -5.3 | -96.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 292 | G | 25 | Very low | 28.3 | Very low | 67 Ų | 67 | 122.7 Ų | 122.7 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | cis | 157.6 | 137.6 | -6.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 293 | L | 29.2 | Very low | 27.4 | Very low | 177 Ų | 177 | 121.1 Ų | 121.1 | 93% | 0.927 | 79% | 0.794 | S | S | * | * | trans | 69.1 | 155.1 | 175 | -87.9 | 147.1 | 0 | 0 | 0 | 120.4 | ||||
| 294 | C | 25 | Very low | 27.2 | Very low | 124 Ų | 124 | 125.4 Ų | 125.4 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | 82.5 | 146.5 | 168 | -67.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 295 | Q | 26.1 | Very low | 27.2 | Very low | 180 Ų | 180 | 123.6 Ų | 123.6 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | trans | -101.7 | -163.9 | 165.4 | -36.7 | 176.2 | -22.4 | 0 | 0 | 108.7 | ||||
| 296 | P | 46.1 | Very low | 27 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | cis | -132.9 | 174.6 | -25.3 | 31.4 | -12.5 | 0 | 0 | 0 | 114.1 | ||||
| 297 | G | 22.4 | Very low | 27 | Very low | 75 Ų | 75 | 125.6 Ų | 125.6 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | 116.3 | -177 | 138.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 298 | A | 23.9 | Very low | 27.3 | Very low | 101 Ų | 101 | 123.5 Ų | 123.5 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | 69 | 83.7 | 172 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 299 | A | 24.4 | Very low | 27.5 | Very low | 100 Ų | 100 | 122.9 Ų | 122.9 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | 52.8 | 135.3 | 118.1 | 0 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 300 | A | 25.6 | Very low | 27.6 | Very low | 111 Ų | 111 | 126.6 Ų | 126.6 | 92% | 0.917 | 81% | 0.807 | S | S | * | * | trans | 70.3 | 161 | 148.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 301 | G | 27 | Very low | 27.7 | Very low | 72 Ų | 72 | 125.3 Ų | 125.3 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | trans | 129.9 | 83.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 302 | H | 28 | Very low | 27.5 | Very low | 198 Ų | 198 | 128.5 Ų | 128.5 | 92% | 0.917 | 81% | 0.81 | S | S | * | * | trans | -70.6 | 142.1 | 162.1 | -59.2 | -109.4 | 0 | 0 | 0 | 109.3 | ||||
| 303 | G | 25.5 | Very low | 28.2 | Very low | 76 Ų | 76 | 130.6 Ų | 130.6 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | trans | -170.2 | 97.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 304 | F | 25.1 | Very low | 28.3 | Very low | 186 Ų | 186 | 128.8 Ų | 128.8 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | trans | -87.2 | 135.6 | -176.9 | -93.8 | -113.3 | 0 | 0 | 0 | 113.2 | ||||
| 305 | Q | 26.6 | Very low | 28.6 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 67% | 0.668 | 80% | 0.799 | S | S | * | * | trans | 70.4 | 152.9 | 136.5 | -79.7 | -171.2 | 15.9 | 0 | 0 | 124 | ||||
| 306 | R | 25.1 | Very low | 28.8 | Very low | 233 Ų | 233 | 127.4 Ų | 127.4 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | trans | 72.5 | 140.9 | 153.1 | -77.4 | 168.2 | 176 | -167.5 | -3.4 | 117.9 | ||||
| 307 | G | 25.5 | Very low | 27.9 | Very low | 65 Ų | 65 | 128.6 Ų | 128.6 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | cis | 159.2 | 175.3 | -7.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 308 | S | 31 | Very low | 28.2 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | 66.1 | 156.2 | 174.9 | -76.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 309 | S | 33.1 | Very low | 28.9 | Very low | 93 Ų | 93 | 136.6 Ų | 136.6 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | cis | -165 | 164.5 | -16.5 | 45.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 310 | L | 30.8 | Very low | 28.9 | Very low | 177 Ų | 177 | 138.5 Ų | 138.5 | 93% | 0.927 | 78% | 0.775 | S | S | * | * | trans | 101.2 | 143.5 | 154.6 | -59.3 | 176.1 | 0 | 0 | 0 | 118.3 | ||||
| 311 | G | 29.1 | Very low | 28.9 | Very low | 77 Ų | 77 | 140.9 Ų | 140.9 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | 126.1 | 78.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 312 | F | 24.2 | Very low | 28.9 | Very low | 201 Ų | 201 | 144 Ų | 144 | 88% | 0.882 | 76% | 0.764 | S | S | * | * | trans | -83.2 | 155.7 | 159.1 | -94.8 | -70.3 | 0 | 0 | 0 | 109.1 | ||||
| 313 | P | 38.3 | Very low | 28.9 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 71% | 0.714 | 75% | 0.753 | S | S | * | * | -150.1 | 160.7 | 61.8 | 39.2 | -18.3 | 0 | 0 | 0 | 119.6 | |||||
| 314 | L | 31.5 | Very low | 29 | Very low | 139 Ų | 139 | 142.2 Ų | 142.2 | 73% | 0.728 | 75% | 0.752 | S | S | * | * | trans | 57.5 | 111.6 | 149.6 | -61.8 | 167 | 0 | 0 | 0 | 119 | ||||
| 315 | K | 30.8 | Very low | 29.1 | Very low | 178 Ų | 178 | 141.6 Ų | 141.6 | 77% | 0.774 | 75% | 0.751 | S | S | * | * | 81.4 | 137.1 | 64.1 | -78.2 | -152.1 | 177.7 | -177.9 | 0 | 112.9 | |||||
| 316 | T | 30.2 | Very low | 29 | Very low | 98 Ų | 98 | 140.6 Ų | 140.6 | 60% | 0.601 | 76% | 0.755 | S | S | * | * | cis | -169.4 | 162.3 | 1.2 | 12.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 317 | I | 28.8 | Very low | 29 | Very low | 142 Ų | 142 | 135.4 Ų | 135.4 | 73% | 0.728 | 75% | 0.749 | S | S | * | * | trans | 73.3 | 142.9 | 142.2 | -75.5 | 161.5 | 0 | 0 | 0 | 116.4 | ||||
| 318 | K | 28.6 | Very low | 29 | Very low | 160 Ų | 160 | 137 Ų | 137 | 70% | 0.696 | 75% | 0.75 | S | S | * | * | cis | -128.1 | 121.5 | 21.8 | -169 | 157.2 | 177.5 | 154.7 | 0 | 116 | E320 | K318-E320 WeakPolarHBondContact CE-OE2 3.4Å; K318-E320 IonicContact NZ-OE2 3.97Å; K318-E320 PolarHBondContact NZ-OE2 2.85Å | ||
| 319 | E | 37.1 | Very low | 28.6 | Very low | 184 Ų | 184 | 136 Ų | 136 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | trans | -134.5 | 143 | 151.7 | -174.9 | 172.6 | -163.8 | 0 | 0 | 107 | ||||
| 320 | E | 24.9 | Very low | 28.2 | Very low | 141 Ų | 141 | 141 Ų | 141 | 66% | 0.659 | 75% | 0.752 | S | S | * | * | trans | -163.4 | 106.4 | -171.2 | 180 | -178.5 | 152.9 | 0 | 0 | 104.8 | K318 | K318-E320 WeakPolarHBondContact CE-OE2 3.4Å; K318-E320 IonicContact NZ-OE2 3.97Å; K318-E320 PolarHBondContact NZ-OE2 2.85Å | ||
| 321 | Q | 25.9 | Very low | 28.1 | Very low | 160 Ų | 160 | 138.5 Ų | 138.5 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | cis | 80.3 | 142.9 | 24.9 | -141.2 | -160.9 | -4.9 | 0 | 0 | 115.2 | ||||
| 322 | M | 27.6 | Very low | 28 | Very low | 138 Ų | 138 | 140.2 Ų | 140.2 | 68% | 0.68 | 75% | 0.747 | S | S | * | * | trans | 70.1 | 136.4 | -175.2 | -92.2 | 45.9 | -164.5 | 0 | 0 | 115.1 | ||||
| 323 | E | 27.5 | Very low | 28.3 | Very low | 145 Ų | 145 | 135.6 Ų | 135.6 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | cis | -147.1 | -144.3 | -11.9 | -144.5 | -170.2 | -95.9 | 0 | 0 | 110.6 | E325 | E323-E325 PolarHBondContact OE2-N 3Š| ||
| 324 | A | 28.4 | Very low | 28.4 | Very low | 92 Ų | 92 | 140 Ų | 140 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | cis | -140.4 | 156.9 | 16.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 325 | E | 26.7 | Very low | 28.6 | Very low | 173 Ų | 173 | 141.4 Ų | 141.4 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | trans | -93.9 | -160.9 | -178.7 | -145.6 | -176.7 | 171.2 | 0 | 0 | 113.9 | E323 | E323-E325 PolarHBondContact OE2-N 3Š| ||
| 326 | V | 25 | Very low | 28.7 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 74% | 0.739 | 76% | 0.755 | S | S | * | * | trans | 89.9 | 90.8 | 168.9 | -167.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 327 | T | 24.1 | Very low | 28.7 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | 14.4 | 149.1 | 126.8 | 49 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 328 | S | 24.6 | Very low | 29 | Very low | 100 Ų | 100 | 145.1 Ų | 145.1 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | cis | -173.1 | -174.1 | -1.6 | 49.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 329 | C | 23.8 | Very low | 29.3 | Very low | 104 Ų | 104 | 145.1 Ų | 145.1 | 70% | 0.703 | 78% | 0.78 | S | S | * | * | trans | 69.5 | 100.1 | 159 | -63.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 330 | F | 25 | Very low | 29.1 | Very low | 196 Ų | 196 | 147.4 Ų | 147.4 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | -142.9 | 101.8 | 120.5 | -129.1 | -80 | 0 | 0 | 0 | 111 | C332 | F330-C332 PolarHBondContact O-N 2.88Š| |||
| 331 | C | 28.1 | Very low | 29.5 | Very low | 126 Ų | 126 | 145.9 Ų | 145.9 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | trans | -84.4 | 107.2 | 168 | -64.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 332 | C | 26.3 | Very low | 29.8 | Very low | 113 Ų | 113 | 147.3 Ų | 147.3 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | trans | -98 | 122.1 | 160.8 | -92.5 | 0 | 0 | 0 | 0 | 108.8 | F330 | F330-C332 PolarHBondContact O-N 2.88Š| ||
| 333 | S | 31.3 | Very low | 30.1 | Very low | 103 Ų | 103 | 152.7 Ų | 152.7 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | trans | -66.2 | 158.7 | 175.1 | 44.2 | 0 | 0 | 0 | 0 | 111.8 | E335 | S333-E335 PolarHBondContact O-N 3.12Š| ||
| 334 | Q | 39.9 | Very low | 30.2 | Very low | 202 Ų | 202 | 154.3 Ų | 154.3 | 94% | 0.944 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -77.9 | 57.7 | -172 | -168.4 | 173.9 | -30.1 | 0 | 0 | 112.7 | ||
| 335 | E | 35.3 | Very low | 30.3 | Very low | 170 Ų | 170 | 154.4 Ų | 154.4 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | trans | -148.3 | 37.5 | -167.7 | -138.7 | 167 | -110.4 | 0 | 0 | 114.2 | S333 | S333-E335 PolarHBondContact O-N 3.12Š| ||
| 336 | R | 32.6 | Very low | 30.4 | Very low | 214 Ų | 214 | 154 Ų | 154 | 81% | 0.808 | 82% | 0.821 | S | S | * | * | trans | -155.2 | 14.6 | 172.1 | -116.9 | 162.6 | -152.2 | -156.2 | 2.2 | 118.4 | V338 | R336-V338 VanDerWaalsContact C-N 3.33Å; R336-V338 PolarHBondContact O-N 2.66Å | ||
| 337 | C | 32 | Very low | 30.8 | Very low | 135 Ų | 135 | 158.3 Ų | 158.3 | 91% | 0.912 | 83% | 0.83 | S | S | * | * | trans | -91.2 | 29.6 | -177.6 | -62.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 338 | V | 34.3 | Very low | 31.2 | Very low | 146 Ų | 146 | 160.2 Ų | 160.2 | 89% | 0.885 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -128.8 | 26.4 | -175 | -144.1 | 0 | 0 | 0 | 0 | 113 | R336 | R336-V338 VanDerWaalsContact C-N 3.33Å; R336-V338 PolarHBondContact O-N 2.66Å |
| 339 | E | 35.6 | Very low | 31.4 | Very low | 161 Ų | 161 | 164.4 Ų | 164.4 | 75% | 0.752 | 84% | 0.843 | S | S | * | * | trans | -138.3 | 46.2 | -169.2 | -149 | 162.1 | -128.5 | 0 | 0 | 113.1 | ||||
| 340 | Y | 33.3 | Very low | 31.8 | Very low | 232 Ų | 232 | 166.5 Ų | 166.5 | 91% | 0.91 | 85% | 0.847 | S | S | * | * | trans | -142.7 | 46.5 | 171.6 | -135.9 | -87.6 | 0 | 0 | 0 | 114.5 | ||||
| 341 | C | 32.5 | Very low | 32 | Very low | 109 Ų | 109 | 167 Ų | 167 | 74% | 0.736 | 85% | 0.849 | S | S | * | * | S | Bend | trans | -140.5 | 157 | 162.3 | -86.5 | 0 | 0 | 0 | 0 | 108.7 | ||
| 342 | H | 32.3 | Very low | 32.1 | Very low | 189 Ų | 189 | 166.8 Ų | 166.8 | 88% | 0.875 | 84% | 0.844 | S | S | * | * | trans | 71.9 | 77.6 | -172.6 | -44.8 | 99.2 | 0 | 0 | 0 | 115.2 | ||||
| 343 | R | 33.2 | Very low | 32 | Very low | 251 Ų | 251 | 170 Ų | 170 | 95% | 0.947 | 85% | 0.845 | S | S | * | * | trans | -143.1 | 63.5 | 159.4 | -142.1 | 178.4 | -166.7 | -159.1 | 3 | 112.8 | ||||
| 344 | L | 29.2 | Very low | 31.9 | Very low | 179 Ų | 179 | 172.2 Ų | 172.2 | 94% | 0.937 | 85% | 0.845 | S | S | * | * | trans | -122.4 | 135.3 | 154.9 | -83.4 | 171.4 | 0 | 0 | 0 | 107 | ||||
| 345 | A | 31 | Very low | 31.5 | Very low | 95 Ų | 95 | 170.3 Ų | 170.3 | 79% | 0.785 | 84% | 0.835 | S | S | * | * | trans | -91.9 | 145.9 | -164 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 346 | L | 30.1 | Very low | 31.6 | Very low | 164 Ų | 164 | 168 Ų | 168 | 86% | 0.859 | 84% | 0.836 | S | S | * | * | trans | -110.9 | 119.8 | 155 | -72.1 | 171.7 | 0 | 0 | 0 | 107.4 | ||||
| 347 | F | 32.3 | Very low | 31.5 | Very low | 212 Ų | 212 | 165.9 Ų | 165.9 | 93% | 0.93 | 84% | 0.835 | S | S | * | * | trans | -146.5 | 147.8 | 153.9 | -95.2 | -73 | 0 | 0 | 0 | 107.9 | ||||
| 348 | L | 32.8 | Very low | 31.5 | Very low | 163 Ų | 163 | 167.4 Ų | 167.4 | 85% | 0.853 | 83% | 0.834 | S | S | * | * | trans | -129.7 | 171 | -171.3 | -89.8 | 168.7 | 0 | 0 | 0 | 110.5 | ||||
| 349 | E | 29.4 | Very low | 31.3 | Very low | 188 Ų | 188 | 164 Ų | 164 | 88% | 0.879 | 83% | 0.829 | S | S | * | * | trans | 82.9 | 132.7 | 164.5 | -70.7 | 175.6 | -170.4 | 0 | 0 | 119.7 | ||||
| 350 | D | 30.5 | Very low | 31.1 | Very low | 148 Ų | 148 | 161.9 Ų | 161.9 | 79% | 0.791 | 83% | 0.832 | S | S | * | * | trans | -65.9 | 149.9 | 170 | -78 | -68 | 0 | 0 | 0 | 112.8 | ||||
| 351 | K | 29.9 | Very low | 30.8 | Very low | 207 Ų | 207 | 158.9 Ų | 158.9 | 90% | 0.9 | 83% | 0.828 | S | S | * | * | -142.3 | 134.9 | 125.2 | -70.1 | -160.8 | 177.1 | 172.7 | 0 | 111.2 | |||||
| 352 | T | 29.5 | Very low | 30.6 | Very low | 121 Ų | 121 | 158.4 Ų | 158.4 | 74% | 0.742 | 83% | 0.826 | S | S | * | * | trans | -80.2 | 157.5 | 167.9 | 48 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 353 | F | 25.6 | Very low | 30.4 | Very low | 180 Ų | 180 | 156.7 Ų | 156.7 | 79% | 0.789 | 82% | 0.823 | S | S | * | * | 165 | 154.3 | 104.9 | -154.7 | -140.5 | 0 | 0 | 0 | 112.8 | |||||
| 354 | Q | 28.2 | Very low | 30.2 | Very low | 151 Ų | 151 | 148.8 Ų | 148.8 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | 71.9 | 132.1 | 169.6 | -64.8 | -62 | -63.6 | 0 | 0 | 120.9 | ||||
| 355 | E | 32.8 | Very low | 30.1 | Very low | 161 Ų | 161 | 148.5 Ų | 148.5 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | -89.2 | 171 | 162.3 | -151.6 | 167.6 | -163.7 | 0 | 0 | 108.4 | ||||
| 356 | P | 36.4 | Very low | 30.2 | Very low | 123 Ų | 123 | 150.8 Ų | 150.8 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | -145.3 | -176.6 | 92.4 | 40.1 | -23.6 | 0 | 0 | 0 | 114.9 | |||||
| 357 | E | 30.9 | Very low | 30.4 | Very low | 168 Ų | 168 | 150.9 Ų | 150.9 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -65.1 | 171.2 | -161.3 | -57.1 | 174.3 | 117.5 | 0 | 0 | 118.7 | ||||
| 358 | D | 31.6 | Very low | 30.7 | Very low | 167 Ų | 167 | 147.9 Ų | 147.9 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | trans | 79.6 | 154.3 | 145.5 | -101.3 | -5.6 | 0 | 0 | 0 | 121.7 | ||||
| 359 | G | 30.6 | Very low | 30.8 | Very low | 76 Ų | 76 | 146.5 Ų | 146.5 | 78% | 0.784 | 76% | 0.761 | S | S | * | * | trans | 116.7 | 80.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 360 | S | 30.4 | Very low | 31.1 | Very low | 116 Ų | 116 | 143.9 Ų | 143.9 | 81% | 0.811 | 75% | 0.749 | S | S | * | * | trans | -87.9 | 166.2 | 170.4 | -168.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 361 | M | 28.3 | Very low | 31.4 | Very low | 168 Ų | 168 | 142.5 Ų | 142.5 | 83% | 0.828 | 74% | 0.737 | S | S | * | * | trans | 73 | 92.7 | 166.9 | -73.9 | -171 | 165.1 | 0 | 0 | 120.8 | ||||
| 362 | S | 28.7 | Very low | 31.6 | Very low | 99 Ų | 99 | 140.5 Ų | 140.5 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | 46.5 | 118 | 106.3 | 68.6 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 363 | D | 27.1 | Very low | 31.9 | Very low | 153 Ų | 153 | 140.9 Ų | 140.9 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | 93.6 | 162.6 | 121.8 | -156 | 23.8 | 0 | 0 | 0 | 121.3 | |||||
| 364 | V | 29.2 | Very low | 32.3 | Very low | 85 Ų | 85 | 139.2 Ų | 139.2 | 52% | 0.515 | 72% | 0.718 | S | S | . | * | trans | 85.4 | 142 | 161.9 | -139.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 365 | F | 26.1 | Very low | 32.6 | Very low | 174 Ų | 174 | 138.3 Ų | 138.3 | 76% | 0.763 | 71% | 0.714 | S | S | * | * | trans | 80.6 | 137 | 165.2 | -57 | -72.7 | 0 | 0 | 0 | 120.5 | ||||
| 366 | H | 34.7 | Very low | 32.7 | Very low | 143 Ų | 143 | 137 Ų | 137 | 66% | 0.662 | 71% | 0.708 | S | S | * | * | cis | -166 | 124.2 | -37.4 | -118 | 34 | 0 | 0 | 0 | 111.2 | ||||
| 367 | H | 34.1 | Very low | 32.6 | Very low | 165 Ų | 165 | 137.2 Ų | 137.2 | 76% | 0.764 | 70% | 0.698 | S | S | * | * | 43.8 | 159.8 | 121.5 | -106.7 | 0.2 | 0 | 0 | 0 | 125.9 | |||||
| 368 | H | 37 | Very low | 32.9 | Very low | 150 Ų | 150 | 135.8 Ų | 135.8 | 69% | 0.694 | 69% | 0.691 | S | S | * | * | trans | 89.3 | 140.7 | 166.5 | -69.2 | 20.5 | 0 | 0 | 0 | 117.3 | ||||
| 369 | H | 36.3 | Very low | 32.9 | Very low | 134 Ų | 134 | 134.5 Ų | 134.5 | 62% | 0.62 | 68% | 0.679 | S | S | * | * | cis | -146.7 | -169.6 | 6.4 | -135.2 | 23.1 | 0 | 0 | 0 | 110.3 | ||||
| 370 | H | 34.6 | Very low | 32.9 | Very low | 133 Ų | 133 | 138.1 Ų | 138.1 | 62% | 0.616 | 68% | 0.675 | S | S | * | * | cis | -147.4 | -92.1 | 13.8 | -161.1 | 6.1 | 0 | 0 | 0 | 114.9 | ||||
| 371 | H | 37.3 | Very low | 33.1 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 55% | 0.551 | 67% | 0.67 | S | S | * | * | trans | -151.1 | 167.1 | -155.9 | -84.6 | -15.3 | 0 | 0 | 0 | 113.4 | ||||
| 372 | H | 33.3 | Very low | 33.2 | Very low | 164 Ų | 164 | 137.4 Ų | 137.4 | 76% | 0.759 | 66% | 0.66 | S | S | * | * | cis | -135.2 | 143.2 | 25.7 | -101.2 | -87.7 | 0 | 0 | 0 | 115.4 | ||||
| 373 | H | 37.4 | Very low | 33.1 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 60% | 0.602 | 67% | 0.667 | S | S | * | * | 34.9 | 135.3 | 128.7 | -89.6 | -98.2 | 0 | 0 | 0 | 121.1 | |||||
| 374 | H | 34.3 | Very low | 33.4 | Very low | 144 Ų | 144 | 138.7 Ų | 138.7 | 67% | 0.667 | 66% | 0.661 | S | S | * | * | cis | -147.6 | 179.3 | 33.3 | -97.7 | -88.4 | 0 | 0 | 0 | 111 | ||||
| 375 | H | 34.1 | Very low | 34.2 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 62% | 0.616 | 67% | 0.669 | S | S | * | * | cis | -145 | -89.5 | 5.4 | -139.7 | -40.3 | 0 | 0 | 0 | 115.6 | ||||
| 376 | H | 35.2 | Very low | 34.5 | Very low | 134 Ų | 134 | 140 Ų | 140 | 62% | 0.62 | 67% | 0.672 | S | S | * | * | trans | -160.1 | 156.8 | -153.6 | -76.4 | -20 | 0 | 0 | 0 | 110.6 | ||||
| 377 | H | 33.4 | Very low | 34.4 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 59% | 0.588 | 68% | 0.677 | S | S | * | * | cis | -163.1 | 148.8 | -7.3 | -110.5 | -37.7 | 0 | 0 | 0 | 110.5 | ||||
| 378 | H | 36.6 | Very low | 34.3 | Very low | 138 Ų | 138 | 137.4 Ų | 137.4 | 64% | 0.639 | 68% | 0.682 | S | S | * | * | trans | 41.8 | 152.2 | 133.3 | -65.6 | -28.3 | 0 | 0 | 0 | 123.4 | ||||
| 379 | H | 32.3 | Very low | 33.9 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 64% | 0.644 | 69% | 0.686 | S | S | * | * | cis | -163.2 | -169.2 | -7.2 | -126.7 | -38.3 | 0 | 0 | 0 | 113.2 | ||||
| 380 | H | 31.5 | Very low | 33.7 | Very low | 153 Ų | 153 | 137 Ų | 137 | 71% | 0.708 | 70% | 0.697 | S | S | * | * | trans | 74.4 | 148 | 160.9 | -66.5 | -50.8 | 0 | 0 | 0 | 117.7 | ||||
| 381 | H | 33.3 | Very low | 34 | Very low | 152 Ų | 152 | 137.1 Ų | 137.1 | 70% | 0.704 | 71% | 0.709 | S | S | * | * | cis | 164.7 | 161.1 | -15.6 | -118.6 | -9.8 | 0 | 0 | 0 | 103.2 | ||||
| 382 | L | 29.9 | Very low | 33.6 | Very low | 116 Ų | 116 | 136 Ų | 136 | 61% | 0.607 | 72% | 0.721 | S | S | * | * | cis | -147.9 | 133 | 9.6 | -99.3 | 148.3 | 0 | 0 | 0 | 106.7 | ||||
| 383 | Q | 28.4 | Very low | 33.3 | Very low | 180 Ų | 180 | 132.1 Ų | 132.1 | 84% | 0.841 | 72% | 0.717 | S | S | * | * | 74.8 | 149.8 | 105.1 | -93.5 | -175.9 | -9.5 | 0 | 0 | 119.1 | |||||
| 384 | S | 33 | Very low | 32.8 | Very low | 99 Ų | 99 | 133.1 Ų | 133.1 | 69% | 0.692 | 73% | 0.725 | S | S | * | * | trans | -97.3 | -177.8 | 178.1 | 54.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 385 | P | 45.1 | Very low | 32.5 | Very low | 106 Ų | 106 | 132.1 Ų | 132.1 | 69% | 0.688 | 73% | 0.729 | S | S | * | * | -151 | 139.2 | 111.6 | 30.6 | -10.5 | 0 | 0 | 0 | 118.7 | |||||
| 386 | H | 31.8 | Very low | 32.3 | Very low | 180 Ų | 180 | 134 Ų | 134 | 83% | 0.833 | 74% | 0.742 | S | S | * | * | trans | 65 | 171.4 | 134.6 | -56.5 | -47.9 | 0 | 0 | 0 | 123.9 | ||||
| 387 | S | 33.6 | Very low | 32 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | trans | -162.5 | 141.6 | -151.4 | 52.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 388 | V | 30.8 | Very low | 32.2 | Very low | 146 Ų | 146 | 130.8 Ų | 130.8 | 89% | 0.885 | 75% | 0.747 | S | S | * | * | trans | -146.8 | 130.4 | 177.5 | -177.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 389 | A | 28.6 | Very low | 31.9 | Very low | 93 Ų | 93 | 132.5 Ų | 132.5 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | trans | 19.7 | 154.8 | 154.2 | 0 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 390 | H | 33.7 | Very low | 31.7 | Very low | 184 Ų | 184 | 132 Ų | 132 | 85% | 0.852 | 76% | 0.762 | S | S | * | * | trans | -95.9 | 168.5 | 162.6 | -53.2 | -89.5 | 0 | 0 | 0 | 111.6 | ||||
| 391 | P | 41.1 | Very low | 31.6 | Very low | 134 Ų | 134 | 135.7 Ų | 135.7 | 87% | 0.87 | 77% | 0.771 | S | S | * | * | -147.8 | -160.8 | 88.5 | 39.4 | -19.8 | 0 | 0 | 0 | 115.2 | |||||
| 392 | A | 28.9 | Very low | 31.5 | Very low | 97 Ų | 97 | 134 Ų | 134 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | -86.6 | -176.3 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 393 | A | 26.3 | Very low | 31.4 | Very low | 81 Ų | 81 | 134.5 Ų | 134.5 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | cis | -163.6 | 173.8 | 16 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 394 | I | 27 | Very low | 31.4 | Very low | 151 Ų | 151 | 135.4 Ų | 135.4 | 77% | 0.774 | 79% | 0.785 | S | S | * | * | trans | 81.1 | 114.1 | 147 | -72.1 | 162.3 | 0 | 0 | 0 | 121.3 | ||||
| 395 | T | 27.9 | Very low | 31.7 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | 44.8 | 130 | 152.3 | 61.2 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 396 | I | 29.6 | Very low | 30.9 | Very low | 172 Ų | 172 | 133.7 Ų | 133.7 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | -157.1 | 153.8 | 107.8 | -96.2 | 154.2 | 0 | 0 | 0 | 109 | |||||
| 397 | S | 28.4 | Very low | 30.9 | Very low | 105 Ų | 105 | 135.9 Ų | 135.9 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | -131.7 | 153.3 | 175.8 | -176.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 398 | P | 39.1 | Very low | 30.6 | Very low | 90 Ų | 90 | 140.1 Ų | 140.1 | 58% | 0.584 | 79% | 0.788 | S | S | * | * | cis | -125.9 | -178.6 | 13.3 | 43 | -29.2 | 0 | 0 | 0 | 114.6 | ||||
| 399 | H | 28.6 | Very low | 30.5 | Very low | 173 Ų | 173 | 138.2 Ų | 138.2 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | 178.6 | 116.8 | 120.2 | -90.5 | -58.2 | 0 | 0 | 0 | 110.9 | |||||
| 400 | T | 29.7 | Very low | 30.5 | Very low | 128 Ų | 128 | 141 Ų | 141 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -98 | 113.7 | -178.3 | 49 | 0 | 0 | 0 | 0 | 112 | ||||
| 401 | Y | 28.5 | Very low | 30.3 | Very low | 231 Ų | 231 | 141.3 Ų | 141.3 | 91% | 0.906 | 77% | 0.772 | S | S | * | * | trans | -145.8 | 100.7 | 160.9 | -91.7 | -72.1 | 0 | 0 | 0 | 111 | ||||
| 402 | T | 31.2 | Very low | 29.8 | Very low | 117 Ų | 117 | 140.9 Ų | 140.9 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | trans | -130.9 | 122.8 | 174.3 | 42.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 403 | C | 28 | Very low | 29.9 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 86% | 0.858 | 77% | 0.767 | S | S | * | * | trans | 30.2 | 108.1 | 147.3 | -52.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 404 | F | 28.8 | Very low | 30.3 | Very low | 199 Ų | 199 | 146.4 Ų | 146.4 | 87% | 0.873 | 77% | 0.773 | S | S | * | * | trans | -133.7 | 158.1 | 164.3 | -94.4 | -82.4 | 0 | 0 | 0 | 109.8 | ||||
| 405 | P | 39.6 | Very low | 30.4 | Very low | 97 Ų | 97 | 146.3 Ų | 146.3 | 63% | 0.63 | 77% | 0.774 | S | S | * | * | -132 | -173.5 | -105.4 | 41.6 | -25.5 | 0 | 0 | 0 | 114.4 | |||||
| 406 | G | 26.6 | Very low | 30.7 | Very low | 72 Ų | 72 | 143.6 Ų | 143.6 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | trans | -70.2 | 141.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 407 | Y | 32.2 | Very low | 31.3 | Very low | 226 Ų | 226 | 141.3 Ų | 141.3 | 89% | 0.886 | 77% | 0.767 | S | S | * | * | trans | -80.8 | 123 | -179.8 | -66.4 | -89.7 | 0 | 0 | 0 | 112 | ||||
| 408 | Y | 27.8 | Very low | 31.7 | Very low | 197 Ų | 197 | 142.3 Ų | 142.3 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | -130 | 123.7 | 162.6 | -158.5 | -95.6 | 0 | 0 | 0 | 108.3 | H410 | Y408-H410 AromaticContact CD1-CD2 3.94Å; Y408-H410 AromaticContact CD1-NE2 3.72Å | ||
| 409 | V | 29.8 | Very low | 31.5 | Very low | 106 Ų | 106 | 143.5 Ų | 143.5 | 64% | 0.642 | 78% | 0.782 | S | S | * | * | trans | -94.6 | 110.1 | -172 | -179.7 | 0 | 0 | 0 | 0 | 109.9 | F411 | V409-F411 HydrophobicContact CG1-CD2 4.14Å; V409-F411 HydrophobicContact CG1-CE2 3.83Å; V409-F411 HydrophobicContact CG1-CZ 4.24Å | ||
| 410 | H | 27.9 | Very low | 32.1 | Very low | 150 Ų | 150 | 141.3 Ų | 141.3 | 69% | 0.694 | 78% | 0.783 | S | S | * | * | trans | -88.7 | 120.9 | 165.2 | -76.7 | -97.1 | 0 | 0 | 0 | 109.9 | Y408 | Y408-H410 AromaticContact CD1-CD2 3.94Å; Y408-H410 AromaticContact CD1-NE2 3.72Å | ||
| 411 | F | 28.5 | Very low | 32 | Very low | 192 Ų | 192 | 144 Ų | 144 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | trans | -87.2 | 110.4 | 160.1 | -71.9 | -84.7 | 0 | 0 | 0 | 108.3 | V409 | V409-F411 HydrophobicContact CG1-CD2 4.14Å; V409-F411 HydrophobicContact CG1-CE2 3.83Å; V409-F411 HydrophobicContact CG1-CZ 4.24Å | ||
| 412 | T | 32 | Very low | 32.1 | Very low | 125 Ų | 125 | 137.4 Ų | 137.4 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | trans | -88.9 | 135.3 | 170.3 | 40.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 413 | H | 30.3 | Very low | 32 | Very low | 172 Ų | 172 | 140.3 Ų | 140.3 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | trans | -71.9 | 133.4 | 171.3 | -94.3 | -109 | 0 | 0 | 0 | 110.7 | ||||
| 414 | P | 35.8 | Very low | 32.1 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | trans | -102.6 | 97.9 | 171.7 | 35.4 | -27.5 | 0 | 0 | 0 | 111.9 | ||||
| 415 | D | 28.6 | Very low | 32.9 | Very low | 149 Ų | 149 | 135.8 Ų | 135.8 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | -126.4 | 125.2 | 165 | -70.9 | -69.8 | 0 | 0 | 0 | 107.5 | ||||
| 416 | G | 34.5 | Very low | 32.4 | Very low | 67 Ų | 67 | 142.3 Ų | 142.3 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | cis | -142 | -148.1 | 7.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 417 | P | 41.5 | Very low | 32.6 | Very low | 123 Ų | 123 | 143.8 Ų | 143.8 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 154.7 | -143.7 | 34 | -38.7 | 0 | 0 | 0 | 117.1 | ||
| 418 | P | 37.8 | Very low | 32.6 | Very low | 127 Ų | 127 | 137.6 Ų | 137.6 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 142.5 | 166.7 | 34.1 | -33.6 | 0 | 0 | 0 | 112.8 | ||
| 419 | S | 34.6 | Very low | 32.9 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 138.5 | 175.9 | -55.2 | 0 | 0 | 0 | 0 | 112.9 | ||
| 420 | P | 40.1 | Very low | 32.9 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 140.8 | 160.2 | 33.3 | -31.2 | 0 | 0 | 0 | 110.8 | ||
| 421 | M | 28.6 | Very low | 33.7 | Very low | 185 Ų | 185 | 141.2 Ų | 141.2 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 139.7 | 173.7 | -76.6 | -163 | -70.5 | 0 | 0 | 112.7 | ||
| 422 | A | 30.3 | Very low | 34 | Very low | 92 Ų | 92 | 139.1 Ų | 139.1 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | trans | 45.7 | 112.9 | 151.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 423 | L | 29.8 | Very low | 33.9 | Very low | 177 Ų | 177 | 140.6 Ų | 140.6 | 93% | 0.927 | 79% | 0.792 | S | S | * | * | -155.4 | 143.8 | 111.2 | -103.2 | 166.8 | 0 | 0 | 0 | 110.5 | |||||
| 424 | C | 29.9 | Very low | 33.9 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | -89.9 | 178 | -178.8 | -69.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 425 | P | 44.5 | Very low | 34.2 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | cis | -141.8 | 158.5 | 9 | 39.8 | -21.3 | 0 | 0 | 0 | 118 | ||||
| 426 | R | 29.2 | Very low | 34.4 | Very low | 234 Ų | 234 | 138.5 Ų | 138.5 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | 166.8 | 152.1 | 119.5 | -94.8 | -179.1 | 169.1 | -166.6 | -3.5 | 114.4 | |||||
| 427 | S | 30.6 | Very low | 34.1 | Very low | 103 Ų | 103 | 140.2 Ų | 140.2 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | trans | 7.5 | 147 | 155.3 | 58.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 428 | S | 32.4 | Very low | 33.6 | Very low | 96 Ų | 96 | 137.9 Ų | 137.9 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | cis | -178.5 | 168.6 | -8.9 | 56.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 429 | K | 33.8 | Very low | 33.9 | Very low | 201 Ų | 201 | 138.2 Ų | 138.2 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | 85.1 | 119.3 | 162.2 | -59.6 | 176.9 | -176.1 | 179.7 | 0 | 119.7 | ||||
| 430 | R | 30.1 | Very low | 33.8 | Very low | 210 Ų | 210 | 140.7 Ų | 140.7 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | trans | -58 | 176.9 | 150.1 | -102.7 | 179.6 | 175.3 | 168.1 | -0.7 | 111.7 | ||||
| 431 | P | 45.4 | Very low | 34 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | cis | -122.1 | 163.8 | 19.4 | 13 | 13.8 | 0 | 0 | 0 | 114.8 | ||||
| 432 | K | 33.6 | Very low | 34.2 | Very low | 148 Ų | 148 | 136 Ų | 136 | 64% | 0.643 | 78% | 0.782 | S | S | * | * | cis | 96.9 | 110.7 | 28.2 | -174.6 | -151.2 | -178.6 | -168 | 0 | 113.2 | ||||
| 433 | L | 29.5 | Very low | 34.4 | Very low | 156 Ų | 156 | 135.4 Ų | 135.4 | 82% | 0.817 | 79% | 0.785 | S | S | * | * | 176.9 | 145.4 | 125 | -93.3 | 167.4 | 0 | 0 | 0 | 115.1 | |||||
| 434 | H | 30.7 | Very low | 34.6 | Very low | 171 Ų | 171 | 134.3 Ų | 134.3 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | trans | -101.1 | -163 | 164.4 | -107.5 | -97.6 | 0 | 0 | 0 | 107.9 | ||||
| 435 | P | 43.3 | Very low | 34.6 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | cis | -120.9 | 175.4 | 2 | 11.1 | 17.6 | 0 | 0 | 0 | 113.5 | ||||
| 436 | S | 31.1 | Very low | 33.9 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | cis | 89.8 | 119 | 38.8 | -161.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 437 | A | 29.9 | Very low | 34.7 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | trans | -172.5 | 153.5 | 148.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 438 | G | 30.1 | Very low | 34.7 | Very low | 74 Ų | 74 | 140 Ų | 140 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | trans | -111.8 | -152.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 439 | P | 43.8 | Very low | 34.4 | Very low | 134 Ų | 134 | 145.7 Ų | 145.7 | 87% | 0.87 | 80% | 0.799 | S | S | * | * | cis | -135.2 | -166.3 | 8.7 | 42.8 | -23.7 | 0 | 0 | 0 | 116 | ||||
| 440 | Q | 33.4 | Very low | 34 | Very low | 167 Ų | 167 | 140.9 Ų | 140.9 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | trans | -81.7 | 172.2 | 173.2 | -79.6 | -73.7 | -19.6 | 0 | 0 | 112 | ||||
| 441 | P | 44.6 | Very low | 33.9 | Very low | 106 Ų | 106 | 136.8 Ų | 136.8 | 69% | 0.688 | 79% | 0.792 | S | S | * | * | cis | -152.8 | 168 | 36.6 | 45.4 | -23.9 | 0 | 0 | 0 | 121.9 | ||||
| 442 | S | 33.2 | Very low | 33 | Very low | 107 Ų | 107 | 137.1 Ų | 137.1 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | 43.5 | 126.1 | 142.4 | 67.2 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 443 | G | 33.6 | Very low | 32.7 | Very low | 80 Ų | 80 | 135.2 Ų | 135.2 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -172.2 | 139 | 156.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 444 | I | 34.8 | Very low | 32.7 | Very low | 153 Ų | 153 | 134 Ų | 134 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -120.9 | 123.7 | -176.4 | -58 | 172 | 0 | 0 | 0 | 111.4 | ||||
| 445 | R | 29 | Very low | 32.6 | Very low | 247 Ų | 247 | 135.1 Ų | 135.1 | 93% | 0.932 | 80% | 0.802 | S | S | * | * | trans | -151.3 | 145.9 | 145.6 | -72 | -158.4 | 177.4 | -176.3 | -0.3 | 110.5 | ||||
| 446 | H | 29.6 | Very low | 32 | Very low | 174 Ų | 174 | 133.7 Ų | 133.7 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | trans | -99 | -164.7 | 170.8 | -61.7 | 94.2 | 0 | 0 | 0 | 110 | ||||
| 447 | P | 46.8 | Very low | 31.9 | Very low | 116 Ų | 116 | 134.8 Ų | 134.8 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | -126.8 | 158.4 | -96.6 | 38.1 | -20.9 | 0 | 0 | 0 | 114.3 | |||||
| 448 | V | 29.3 | Very low | 31.9 | Very low | 151 Ų | 151 | 141.4 Ų | 141.4 | 92% | 0.915 | 81% | 0.811 | S | S | * | * | trans | -137 | 151 | 166.6 | -174.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 449 | Y | 27.8 | Very low | 32 | Very low | 216 Ų | 216 | 141.4 Ų | 141.4 | 85% | 0.847 | 81% | 0.811 | S | S | * | * | trans | -82.6 | 176.6 | -169.9 | -120.6 | -110.5 | 0 | 0 | 0 | 114.8 | ||||
| 450 | C | 25 | Very low | 31.5 | Very low | 100 Ų | 100 | 143.5 Ų | 143.5 | 68% | 0.676 | 81% | 0.808 | S | S | * | * | trans | 81.6 | 97 | 160 | -68.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 451 | C | 27 | Very low | 31.7 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | 52.5 | 98.8 | 119.1 | -56.5 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 452 | T | 26.7 | Very low | 31.1 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 77% | 0.767 | 81% | 0.809 | S | S | * | * | trans | -143 | 130.1 | 153.4 | 52.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 453 | S | 27.3 | Very low | 31.1 | Very low | 109 Ų | 109 | 147.2 Ų | 147.2 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | trans | 63 | 168.6 | 153.2 | 66.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 454 | V | 30.6 | Very low | 31 | Very low | 131 Ų | 131 | 150.8 Ų | 150.8 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | cis | -139.4 | 145.8 | 5.4 | -147 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 455 | E | 26.8 | Very low | 30.8 | Very low | 194 Ų | 194 | 150.9 Ų | 150.9 | 91% | 0.907 | 82% | 0.817 | S | S | * | * | trans | -141.3 | 144.5 | 145 | -167 | 156.5 | -141.5 | 0 | 0 | 108.9 | ||||
| 456 | A | 31.5 | Very low | 30.8 | Very low | 86 Ų | 86 | 142.1 Ų | 142.1 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | trans | -99.6 | 135.8 | -159.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 457 | C | 30 | Very low | 30.9 | Very low | 134 Ų | 134 | 143.3 Ų | 143.3 | 91% | 0.905 | 81% | 0.806 | S | S | * | * | trans | -106.7 | 125.9 | 170 | -68.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 458 | Y | 29.8 | Very low | 30.1 | Very low | 242 Ų | 242 | 143.1 Ų | 143.1 | 95% | 0.949 | 81% | 0.808 | S | S | * | * | trans | -102 | 127.1 | 164.9 | -101 | -95.2 | 0 | 0 | 0 | 108.4 | ||||
| 459 | G | 31 | Very low | 30 | Very low | 74 Ų | 74 | 146.4 Ų | 146.4 | 76% | 0.763 | 81% | 0.805 | S | S | * | * | trans | 167.9 | 52.9 | -176 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 460 | E | 33.5 | Very low | 30.9 | Very low | 177 Ų | 177 | 141.3 Ų | 141.3 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | trans | -12.1 | 153 | 146.3 | -89.9 | -69.4 | 106.3 | 0 | 0 | 119.1 | ||||
| 461 | P | 38.6 | Very low | 31 | Very low | 90 Ų | 90 | 141.5 Ų | 141.5 | 58% | 0.584 | 80% | 0.801 | S | S | * | * | -130.8 | 174.2 | -74.8 | 43.1 | -31.3 | 0 | 0 | 0 | 113.1 | |||||
| 462 | C | 31.6 | Very low | 31.3 | Very low | 134 Ų | 134 | 142.3 Ų | 142.3 | 91% | 0.905 | 80% | 0.802 | S | S | * | * | trans | -147.5 | 143.1 | 150.5 | -100.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 463 | R | 32.3 | Very low | 31.6 | Very low | 235 Ų | 235 | 143.9 Ų | 143.9 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | trans | -100.7 | 151.2 | -178.5 | -62.8 | 176.9 | 176.7 | 177.9 | -1.9 | 110.7 | ||||
| 464 | I | 32.2 | Very low | 32.3 | Very low | 154 Ų | 154 | 144.2 Ų | 144.2 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | 155.5 | 139.4 | 131.8 | -79.9 | 155.8 | 0 | 0 | 0 | 110 | ||||
| 465 | N | 29.7 | Very low | 32.2 | Very low | 155 Ų | 155 | 142.2 Ų | 142.2 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | trans | -9.7 | 149.8 | 165 | -44.7 | -13.9 | 0 | 0 | 0 | 118.5 | ||||
| 466 | G | 30.3 | Very low | 32.4 | Very low | 63 Ų | 63 | 140.6 Ų | 140.6 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | cis | 144.3 | 157.2 | 3.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 467 | F | 31.7 | Very low | 32.4 | Very low | 200 Ų | 200 | 143.2 Ų | 143.2 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | 73.3 | 116 | 173.9 | -61.8 | -77.4 | 0 | 0 | 0 | 120.5 | ||||
| 468 | S | 28.6 | Very low | 32.5 | Very low | 111 Ų | 111 | 148.8 Ų | 148.8 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | 67.4 | 119.8 | 126.5 | -53.7 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 469 | Y | 28.6 | Very low | 32.4 | Very low | 220 Ų | 220 | 140.9 Ų | 140.9 | 86% | 0.863 | 80% | 0.798 | S | S | * | * | trans | -53 | 163.2 | 145.4 | -93.6 | -105.8 | 0 | 0 | 0 | 111.9 | ||||
| 470 | P | 45.5 | Very low | 32.2 | Very low | 110 Ų | 110 | 141 Ų | 141 | 71% | 0.714 | 80% | 0.8 | S | S | * | * | cis | -151.2 | 165 | 41.7 | 43.1 | -22.7 | 0 | 0 | 0 | 121 | ||||
| 471 | S | 27.8 | Very low | 32.3 | Very low | 104 Ų | 104 | 138.4 Ų | 138.4 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | 73.5 | 163.8 | 143 | -70.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 472 | V | 33 | Very low | 32.4 | Very low | 140 Ų | 140 | 139 Ų | 139 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | 87.8 | 129.8 | 170.6 | -170 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 473 | I | 33.6 | Very low | 32.4 | Very low | 159 Ų | 159 | 143.4 Ų | 143.4 | 82% | 0.815 | 80% | 0.803 | S | S | * | * | trans | -114.4 | 140 | 175.9 | -58.2 | 164.3 | 0 | 0 | 0 | 107.4 | ||||
| 474 | P | 40.7 | Very low | 32.6 | Very low | 116 Ų | 116 | 138 Ų | 138 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | -141.9 | 146.6 | 131.3 | 35 | -20.9 | 0 | 0 | 0 | 116.1 | ||||
| 475 | A | 29.3 | Very low | 33.1 | Very low | 89 Ų | 89 | 135.9 Ų | 135.9 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | trans | 24.8 | 115.8 | 147.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 476 | I | 31.8 | Very low | 33.1 | Very low | 159 Ų | 159 | 137.5 Ų | 137.5 | 82% | 0.815 | 79% | 0.792 | S | S | * | * | trans | 7.8 | 119.3 | 131.5 | -51 | 168.8 | 0 | 0 | 0 | 117.1 | ||||
| 477 | T | 30.1 | Very low | 33.3 | Very low | 141 Ų | 141 | 141.8 Ų | 141.8 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | trans | -133.8 | 127.1 | 133.3 | 47.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 478 | R | 32.9 | Very low | 33.3 | Very low | 251 Ų | 251 | 138.5 Ų | 138.5 | 95% | 0.947 | 80% | 0.8 | S | S | * | * | trans | -97.9 | 115.3 | 165.6 | -91.9 | -174.3 | 171.7 | 179 | -1.7 | 107.9 | ||||
| 479 | G | 27.4 | Very low | 33.5 | Very low | 77 Ų | 77 | 137.4 Ų | 137.4 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | 179.5 | 146.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 480 | G | 27 | Very low | 33.8 | Very low | 77 Ų | 77 | 136.7 Ų | 136.7 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | 89.6 | 93.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 481 | C | 35.4 | Very low | 33.1 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | trans | -97.1 | 124.2 | 148.5 | 176.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 482 | P | 40.2 | Very low | 33.4 | Very low | 103 Ų | 103 | 139.2 Ų | 139.2 | 67% | 0.669 | 81% | 0.808 | S | S | * | * | trans | -118.3 | 103.3 | 172.8 | 34.8 | -21.3 | 0 | 0 | 0 | 112 | ||||
| 483 | Y | 31.9 | Very low | 33.4 | Very low | 226 Ų | 226 | 141 Ų | 141 | 89% | 0.886 | 81% | 0.806 | S | S | * | * | trans | -110.7 | 124.3 | 147.3 | -93 | -81.1 | 0 | 0 | 0 | 108 | ||||
| 484 | T | 35.9 | Very low | 33.3 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | trans | -136.1 | 174.2 | -176.8 | 62.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 485 | P | 43.3 | Very low | 33 | Very low | 110 Ų | 110 | 139.7 Ų | 139.7 | 71% | 0.714 | 81% | 0.81 | S | S | * | * | -128.8 | 173.3 | -68.9 | 38.3 | -24.6 | 0 | 0 | 0 | 111.6 | |||||
| 486 | K | 31.2 | Very low | 33.2 | Very low | 189 Ų | 189 | 144.2 Ų | 144.2 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | trans | 172.7 | 136.9 | 157 | -97.3 | 152.7 | -178.4 | -174.7 | 0 | 108 | ||||
| 487 | D | 34.3 | Very low | 33.2 | Very low | 154 Ų | 154 | 146.6 Ų | 146.6 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | cis | -136 | 160.6 | -2 | -86.3 | -61.7 | 0 | 0 | 0 | 110.2 | ||||
| 488 | C | 31.3 | Very low | 33.2 | Very low | 130 Ų | 130 | 145.9 Ų | 145.9 | 88% | 0.878 | 80% | 0.799 | S | S | * | * | trans | -134.3 | 130.9 | 175.5 | -177.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 489 | A | 32.8 | Very low | 32.9 | Very low | 88 Ų | 88 | 141.7 Ų | 141.7 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -149.8 | 117.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 490 | K | 34.3 | Very low | 32.8 | Very low | 205 Ų | 205 | 146.8 Ų | 146.8 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | trans | 65.4 | 91 | 153.7 | -54.6 | 176 | -176.9 | 178.7 | 0 | 118.8 | ||||
| 491 | C | 32 | Very low | 32.9 | Very low | 134 Ų | 134 | 147.8 Ų | 147.8 | 91% | 0.905 | 78% | 0.781 | S | S | * | * | -148.1 | 153.3 | 117.2 | -160.8 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 492 | N | 33.1 | Very low | 33.4 | Very low | 134 Ų | 134 | 146.9 Ų | 146.9 | 72% | 0.717 | 77% | 0.774 | S | S | * | * | trans | -151.2 | 136.2 | -166.7 | -152.8 | 2 | 0 | 0 | 0 | 111.1 | ||||
| 493 | Q | 33.9 | Very low | 32.9 | Very low | 176 Ų | 176 | 147.2 Ų | 147.2 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | 64.3 | 146.4 | 172.6 | -56 | 162 | 6.2 | 0 | 0 | 115.8 | ||||
| 494 | G | 30.9 | Very low | 32.9 | Very low | 71 Ų | 71 | 143.9 Ų | 143.9 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | cis | 113.8 | 101.7 | -9.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 495 | I | 34 | Very low | 32.6 | Very low | 177 Ų | 177 | 140.8 Ų | 140.8 | 91% | 0.908 | 77% | 0.767 | S | S | * | * | trans | -151 | 153.6 | 170.8 | -100.4 | 153.3 | 0 | 0 | 0 | 109.8 | ||||
| 496 | K | 33.2 | Very low | 32 | Very low | 184 Ų | 184 | 141.4 Ų | 141.4 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | trans | -113.7 | 162.8 | 178.9 | -58.4 | 175.8 | 177.4 | 179.5 | 0 | 111.6 | ||||
| 497 | R | 31.8 | Very low | 32.2 | Very low | 210 Ų | 210 | 139 Ų | 139 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | -177.1 | 133.6 | 125.6 | -97.9 | -170.1 | 144.7 | 133.9 | 7.7 | 109.5 | |||||
| 498 | E | 30.3 | Very low | 32.1 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 59% | 0.589 | 75% | 0.754 | S | S | * | * | 62.7 | 131.3 | 81.6 | -65.8 | 162.3 | -149.8 | 0 | 0 | 111.9 | |||||
| 499 | E | 26.1 | Very low | 32.1 | Very low | 163 Ų | 163 | 136.9 Ų | 136.9 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | cis | -147.8 | -165.4 | -3.6 | -121.2 | -175.3 | 124.3 | 0 | 0 | 109.2 | ||||
| 500 | Y | 26.4 | Very low | 32.8 | Very low | 184 Ų | 184 | 138.3 Ų | 138.3 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | cis | -157 | 169.8 | 20.4 | -174.1 | -122.6 | 0 | 0 | 0 | 111 | ||||
| 501 | S | 29.5 | Very low | 32.6 | Very low | 98 Ų | 98 | 132.5 Ų | 132.5 | 69% | 0.685 | 73% | 0.733 | S | S | * | * | trans | -143.1 | 149.1 | 170.6 | -59.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 502 | P | 45.8 | Very low | 32.4 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 67% | 0.669 | 73% | 0.731 | S | S | * | * | -146.9 | -169 | 88.1 | 39.5 | -20.1 | 0 | 0 | 0 | 111.6 | |||||
| 503 | S | 30 | Very low | 32.3 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | cis | -168.4 | 173.6 | 11.3 | 9.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 504 | L | 31.8 | Very low | 33 | Very low | 156 Ų | 156 | 133.1 Ų | 133.1 | 82% | 0.817 | 73% | 0.728 | S | S | * | * | cis | -178.3 | 143.9 | -23.4 | 176.7 | 71.3 | 0 | 0 | 0 | 104.7 | ||||
| 505 | G | 28.8 | Very low | 32.7 | Very low | 54 Ų | 54 | 138 Ų | 138 | 56% | 0.557 | 73% | 0.734 | S | S | * | * | cis | -170.5 | -166.6 | -2.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 506 | D | 30.2 | Very low | 32.4 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 66% | 0.663 | 73% | 0.73 | S | S | * | * | trans | 71.4 | 137.8 | 148.1 | -52.5 | -25.6 | 0 | 0 | 0 | 120.4 | ||||
| 507 | H | 35.6 | Very low | 32.8 | Very low | 137 Ų | 137 | 132.8 Ų | 132.8 | 63% | 0.634 | 73% | 0.732 | S | S | * | * | cis | -159 | 153.1 | -2 | -113.1 | 14.3 | 0 | 0 | 0 | 110.9 | ||||
| 508 | H | 32.9 | Very low | 32.7 | Very low | 171 Ų | 171 | 128.1 Ų | 128.1 | 79% | 0.792 | 73% | 0.732 | S | S | * | * | trans | 63 | 153 | 159.9 | -50.3 | -44 | 0 | 0 | 0 | 122.6 | ||||
| 509 | G | 30 | Very low | 33.7 | Very low | 69 Ų | 69 | 126.9 Ų | 126.9 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | trans | -130.5 | -146.7 | 157.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 510 | P | 47.4 | Very low | 33.9 | Very low | 118 Ų | 118 | 129.8 Ų | 129.8 | 77% | 0.766 | 74% | 0.739 | S | S | * | * | cis | -136.1 | -175.5 | -9.4 | 40.2 | -21.8 | 0 | 0 | 0 | 114.4 | ||||
| 511 | S | 30.1 | Very low | 34 | Very low | 84 Ų | 84 | 126.9 Ų | 126.9 | 59% | 0.587 | 74% | 0.74 | S | S | * | * | trans | 57.4 | 134.3 | 151.6 | 59.3 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 512 | F | 28.7 | Very low | 34 | Very low | 197 Ų | 197 | 129.6 Ų | 129.6 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | 166 | 162 | 114.2 | -96.5 | -73.4 | 0 | 0 | 0 | 114.1 | |||||
| 513 | I | 30 | Very low | 33.3 | Very low | 153 Ų | 153 | 130.6 Ų | 130.6 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | -140.9 | 157.3 | 179.1 | -63.6 | 168.1 | 0 | 0 | 0 | 105.2 | ||||
| 514 | P | 48.5 | Very low | 33.2 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 70% | 0.695 | 75% | 0.749 | S | S | * | * | cis | -120.4 | -163.1 | -14.9 | 36.8 | -19.1 | 0 | 0 | 0 | 111.8 | ||||
| 515 | M | 25.3 | Very low | 33.4 | Very low | 173 Ų | 173 | 127.5 Ų | 127.5 | 85% | 0.852 | 75% | 0.752 | S | S | * | * | 179.2 | 148.9 | 111.5 | -95.2 | -160.6 | -65.3 | 0 | 0 | 113.2 | |||||
| 516 | C | 28.1 | Very low | 34 | Very low | 122 Ų | 122 | 131 Ų | 131 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | trans | -101 | 152.8 | 160.1 | -61.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 517 | P | 41.5 | Very low | 34.3 | Very low | 129 Ų | 129 | 131.3 Ų | 131.3 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | -138.9 | 167.2 | 128.7 | 38.1 | -27.1 | 0 | 0 | 0 | 114.7 | |||||
| 518 | S | 29.2 | Very low | 34.6 | Very low | 113 Ų | 113 | 130.1 Ų | 130.1 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | -135 | 165.6 | 167 | -169.7 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 519 | P | 50.9 | Low | 34.3 | Very low | 100 Ų | 100 | 128 Ų | 128 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | cis | -135.2 | -171 | 7.8 | 24.5 | 1.9 | 0 | 0 | 0 | 114.6 | ||||
| 520 | R | 30.3 | Very low | 34.4 | Very low | 223 Ų | 223 | 131.1 Ų | 131.1 | 84% | 0.842 | 78% | 0.779 | S | S | * | * | 132 | 113.1 | 129.8 | -72.4 | -172.3 | 177 | -175 | -0.7 | 119.4 | |||||
| 521 | V | 28.7 | Very low | 34.3 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | 67.9 | 153.4 | 129.8 | -162.5 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 522 | L | 30.1 | Very low | 35 | Very low | 154 Ų | 154 | 132.3 Ų | 132.3 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | trans | 81.4 | 158.8 | 170.9 | -52.6 | 178.5 | 0 | 0 | 0 | 117.4 | ||||
| 523 | T | 30.7 | Very low | 35.2 | Very low | 124 Ų | 124 | 128.1 Ų | 128.1 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | cis | -176.6 | 138.6 | -41.7 | -85.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 524 | G | 28.8 | Very low | 35.2 | Very low | 72 Ų | 72 | 124.4 Ų | 124.4 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | trans | 75.1 | 126.3 | 150.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 525 | C | 34.9 | Very low | 34.4 | Very low | 129 Ų | 129 | 128.8 Ų | 128.8 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | trans | -90.7 | 155.3 | 167.8 | -54.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 526 | P | 42.6 | Very low | 34.6 | Very low | 127 Ų | 127 | 125.3 Ų | 125.3 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -112.6 | 157.9 | 153.2 | 36 | -28 | 0 | 0 | 0 | 113.3 | ||||
| 527 | V | 36.3 | Very low | 34.8 | Very low | 132 Ų | 132 | 126 Ų | 126 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | trans | -131.3 | 143.9 | 179.7 | 164.9 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 528 | P | 41.1 | Very low | 34.8 | Very low | 111 Ų | 111 | 125.2 Ų | 125.2 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | -167.2 | 173.3 | 95.6 | 46.4 | -24.6 | 0 | 0 | 0 | 121.7 | |||||
| 529 | T | 28 | Very low | 34.8 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | 90.9 | 137.9 | 145.7 | -52.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 530 | V | 32 | Very low | 33.9 | Very low | 135 Ų | 135 | 129.5 Ų | 129.5 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -155.2 | 141.5 | 179.7 | -136 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 531 | P | 45.2 | Very low | 34 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -147.9 | -163 | 133.7 | 44.9 | -30.1 | 0 | 0 | 0 | 111.4 | ||||
| 532 | P | 43.7 | Very low | 34 | Very low | 116 Ų | 116 | 128.2 Ų | 128.2 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | cis | -130.2 | 138.7 | -15.2 | 32.8 | -13.4 | 0 | 0 | 0 | 117.5 | ||||
| 533 | A | 32.7 | Very low | 34.3 | Very low | 108 Ų | 108 | 125.9 Ų | 125.9 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | trans | 31.9 | 142.4 | 133 | 0 | 0 | 0 | 0 | 0 | 127 | ||||
| 534 | G | 31.1 | Very low | 34.4 | Very low | 75 Ų | 75 | 126.2 Ų | 126.2 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | 115.3 | 141.5 | 149.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 535 | Q | 30.3 | Very low | 34.5 | Very low | 200 Ų | 200 | 128.5 Ų | 128.5 | 94% | 0.935 | 80% | 0.799 | S | S | * | * | cis | -139.9 | -149.5 | -6.2 | -70.1 | -171.8 | -18.9 | 0 | 0 | 111 | ||||
| 536 | S | 31.2 | Very low | 34.3 | Very low | 99 Ų | 99 | 128.1 Ų | 128.1 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | trans | -139 | 139.3 | -143.7 | 58.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 537 | V | 30.7 | Very low | 34.2 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | 56.6 | 145.1 | 124.4 | -177 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 538 | P | 42.4 | Very low | 34.2 | Very low | 114 Ų | 114 | 126.1 Ų | 126.1 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | cis | -133.6 | 179.9 | -28.6 | 39.6 | -22 | 0 | 0 | 0 | 115 | ||||
| 539 | H | 28.9 | Very low | 33.7 | Very low | 185 Ų | 185 | 132 Ų | 132 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | -146.4 | 169.9 | 146.7 | -151.1 | 57.2 | 0 | 0 | 0 | 113.5 | ||||
| 540 | V | 31.5 | Very low | 34.1 | Very low | 118 Ų | 118 | 132 Ų | 132 | 72% | 0.715 | 79% | 0.79 | S | S | * | * | trans | -91.1 | 149.1 | -153.4 | 179 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 541 | Q | 32.3 | Very low | 34.2 | Very low | 184 Ų | 184 | 134.3 Ų | 134.3 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -105.6 | 148.7 | 170.8 | -66.8 | -177.7 | -5 | 0 | 0 | 112.7 | ||||
| 542 | T | 29 | Very low | 33.8 | Very low | 135 Ų | 135 | 134.4 Ų | 134.4 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | trans | -140.9 | 162.8 | 165 | 16.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 543 | P | 36.2 | Very low | 33.7 | Very low | 106 Ų | 106 | 134.9 Ų | 134.9 | 69% | 0.688 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | -94.9 | 162.3 | -124 | 35.1 | -39.4 | 0 | 0 | 0 | 116.6 | |||
| 544 | P | 34.4 | Very low | 33.6 | Very low | 130 Ų | 130 | 137.7 Ų | 137.7 | 84% | 0.844 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 148.3 | 173 | 29.5 | -36.3 | 0 | 0 | 0 | 112.6 | ||
| 545 | S | 30.4 | Very low | 33.8 | Very low | 120 Ų | 120 | 143.5 Ų | 143.5 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 159.8 | -175.8 | -48.5 | 0 | 0 | 0 | 0 | 114.5 | ||
| 546 | D | 29.4 | Very low | 33.9 | Very low | 122 Ų | 122 | 140.6 Ų | 140.6 | 65% | 0.652 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -64 | 132.3 | -172.5 | 178.7 | 36.2 | 0 | 0 | 0 | 115 | S548 | D546-S548 VanDerWaalsContact C-N 3.25Å; D546-S548 PolarHBondContact O-N 3.06Å; D546-S548 WeakPolarHBondContact OD2-CB 3.44Å; D546-S548 PolarHBondContact OD2-OG 3.17Å |
| 547 | P | 41.2 | Very low | 33.9 | Very low | 133 Ų | 133 | 140.4 Ų | 140.4 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -78.9 | 59 | 178.8 | 34 | -38.8 | 0 | 0 | 0 | 113.7 | ||
| 548 | S | 35.7 | Very low | 34.1 | Very low | 83 Ų | 83 | 143.8 Ų | 143.8 | 58% | 0.58 | 81% | 0.806 | S | S | * | * | trans | -121.4 | 29.3 | -172.8 | 62.7 | 0 | 0 | 0 | 0 | 115.8 | D546 | D546-S548 VanDerWaalsContact C-N 3.25Å; D546-S548 PolarHBondContact O-N 3.06Å; D546-S548 WeakPolarHBondContact OD2-CB 3.44Å; D546-S548 PolarHBondContact OD2-OG 3.17Å | ||
| 549 | R | 31.6 | Very low | 33.7 | Very low | 234 Ų | 234 | 144.8 Ų | 144.8 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | trans | -142 | 135.8 | 172 | -117.5 | 179.4 | -179.1 | -163.4 | -1 | 114.6 | ||||
| 550 | P | 35.2 | Very low | 33.8 | Very low | 128 Ų | 128 | 140.3 Ų | 140.3 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 144.5 | 171.8 | -17.9 | 31.5 | 0 | 0 | 0 | 112.4 | ||
| 551 | Q | 35.3 | Very low | 34.2 | Very low | 183 Ų | 183 | 138.4 Ų | 138.4 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 149.4 | 168.2 | -71.5 | -166.8 | -7.2 | 0 | 0 | 111.6 | ||
| 552 | P | 36.7 | Very low | 34.3 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 147.6 | 177.7 | 30.7 | -35.3 | 0 | 0 | 0 | 112 | ||
| 553 | P | 41.7 | Very low | 34.5 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 130.9 | -179 | 29.1 | -34.2 | 0 | 0 | 0 | 112.4 | ||
| 554 | L | 29.9 | Very low | 34.2 | Very low | 167 Ų | 167 | 136.1 Ų | 136.1 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 137.9 | 171.6 | -72.9 | 166.2 | 0 | 0 | 0 | 111.2 | ||
| 555 | Q | 36.2 | Very low | 34 | Very low | 196 Ų | 196 | 139.1 Ų | 139.1 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 122.3 | 176.7 | -65.6 | -177.4 | -0.3 | 0 | 0 | 111.1 | ||
| 556 | V | 32.3 | Very low | 34 | Very low | 140 Ų | 140 | 138.9 Ų | 138.9 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | trans | -124.9 | 117 | 166.2 | 179.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 557 | A | 30.5 | Very low | 34 | Very low | 95 Ų | 95 | 139.2 Ų | 139.2 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -99.2 | 111.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 558 | K | 35.1 | Very low | 33.4 | Very low | 207 Ų | 207 | 138.8 Ų | 138.8 | 90% | 0.9 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -164.8 | 159.9 | 147.4 | -106.8 | 157 | -173.6 | 178.2 | 0 | 110.1 | C560 | K558-C560 PolarHBondContact O-N 3.29Š|
| 559 | E | 34 | Very low | 33.1 | Very low | 134 Ų | 134 | 140.5 Ų | 140.5 | 63% | 0.626 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 121.8 | -163.7 | -70.8 | -173.9 | 113.2 | 0 | 0 | 114.1 | R665 | E559-R665 IonicContact OE1-CZ 3.69Å; E559-R665 IonicContact OE1-NH1 2.63Å; E559-R665 PolarHBondContact OE1-NH1 3.14Å; E559-R665 VanDerWaalsContact OE1-NH1 3.12Å; E559-R665 IonicContact OE1-NH2 3.84Å; E559-R665 PolarHBondContact OE1-NH2 3.2Å; E559-R665 IonicContact OE2-CZ 3.36Å; E559-R665 IonicContact OE2-NH1 3.81Å; E559-R665 PolarHBondContact OE2-NH1 3.06Å; E559-R665 IonicContact OE2-NH2 2.7Å |
| 560 | C | 31.2 | Very low | 32.8 | Very low | 92 Ų | 92 | 133 Ų | 133 | 62% | 0.622 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -94 | 154.6 | 156 | -151.3 | 0 | 0 | 0 | 0 | 108.3 | K558 Q562 | K558-C560 PolarHBondContact O-N 3.29Å; C560-Q562 PolarHBondContact O-N 2.79Å; C560-Q562 VanDerWaalsContact O-N 3.15Å |
| 561 | P | 40 | Very low | 32.6 | Very low | 78 Ų | 78 | 132.6 Ų | 132.6 | 51% | 0.506 | 79% | 0.791 | S | S | . | * | P | Polyproline II helix | trans | -56.3 | 122 | -179.8 | -24.7 | 35.4 | 0 | 0 | 0 | 111.4 | S563 Y671 | P561-S563 PolarHBondContact O-N 3.41Å; P561-S563 VanDerWaalsContact O-N 3.13Å; P561-Y671 HydrophobicContact CG-CE1 4.21Å |
| 562 | Q | 34.7 | Very low | 32.6 | Very low | 167 Ų | 167 | 135.1 Ų | 135.1 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | trans | -75.3 | 106.8 | -172.7 | -70.5 | -176 | -26.3 | 0 | 0 | 111.2 | C560 A564 | C560-Q562 PolarHBondContact O-N 2.79Å; C560-Q562 VanDerWaalsContact O-N 3.15Å; Q562-A564 PolarHBondContact O-N 2.69Å | ||
| 563 | S | 33.3 | Very low | 32.3 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | -54.1 | 134.2 | 162.6 | 177.6 | 0 | 0 | 0 | 0 | 110.2 | P561 K565 | P561-S563 PolarHBondContact O-N 3.41Å; P561-S563 VanDerWaalsContact O-N 3.13Å; S563-K565 PolarHBondContact O-N 3.37Å; S563-K565 VanDerWaalsContact O-N 3.14Å | ||
| 564 | A | 29.6 | Very low | 31.6 | Very low | 96 Ų | 96 | 133.2 Ų | 133.2 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | trans | -73.3 | 105.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q562 | Q562-A564 PolarHBondContact O-N 2.69Š| ||
| 565 | K | 30.6 | Very low | 31.6 | Very low | 194 Ų | 194 | 130.3 Ų | 130.3 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 142.6 | 172 | -75.3 | -172.7 | 174.7 | -177.1 | 0 | 111.3 | S563 | S563-K565 PolarHBondContact O-N 3.37Å; S563-K565 VanDerWaalsContact O-N 3.14Å |
| 566 | P | 29.8 | Very low | 31.4 | Very low | 114 Ų | 114 | 133 Ų | 133 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 154.8 | 176.7 | 30.2 | -35.8 | 0 | 0 | 0 | 111.7 | S568 | P566-S568 PolarHBondContact O-N 2.81Š|
| 567 | P | 30.1 | Very low | 31.2 | Very low | 130 Ų | 130 | 130.4 Ų | 130.4 | 84% | 0.844 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 125.8 | 178.5 | 29.8 | -34 | 0 | 0 | 0 | 111.6 | ||
| 568 | S | 27.4 | Very low | 31 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 123.7 | 165.4 | 45.9 | 0 | 0 | 0 | 0 | 110.5 | P566 | P566-S568 PolarHBondContact O-N 2.81Š|
| 569 | S | 29.4 | Very low | 30.9 | Very low | 119 Ų | 119 | 128.7 Ų | 128.7 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -89.4 | 112.7 | 173.9 | 47.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 570 | G | 26.4 | Very low | 30.6 | Very low | 77 Ų | 77 | 126.6 Ų | 126.6 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | trans | -68.4 | 150.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 571 | S | 30.9 | Very low | 30.5 | Very low | 120 Ų | 120 | 129 Ų | 129 | 84% | 0.839 | 82% | 0.824 | S | S | * | * | trans | -77.3 | 160.5 | -172.4 | -35.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 572 | R | 33.9 | Very low | 30.4 | Very low | 235 Ų | 235 | 133.1 Ų | 133.1 | 89% | 0.887 | 84% | 0.841 | S | S | * | * | trans | -166.1 | 136.8 | 131.3 | -116.6 | 173.8 | 172 | -169.6 | -5.2 | 114.9 | ||||
| 573 | S | 31.6 | Very low | 30.5 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 83% | 0.832 | 84% | 0.843 | S | S | * | * | trans | 55 | 140.1 | 161 | 50.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 574 | G | 27.5 | Very low | 30.4 | Very low | 81 Ų | 81 | 133 Ų | 133 | 84% | 0.835 | 84% | 0.844 | S | S | * | * | cis | 137 | 88.6 | -4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 575 | A | 29.6 | Very low | 30.5 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 88% | 0.876 | 84% | 0.837 | S | S | * | * | trans | -144.6 | 161.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 576 | R | 31.7 | Very low | 30.6 | Very low | 252 Ų | 252 | 134.7 Ų | 134.7 | 95% | 0.951 | 83% | 0.833 | S | S | * | * | trans | -100.2 | 137.4 | -154.3 | -52.8 | 170 | -175 | 172.1 | -0.4 | 114.8 | ||||
| 577 | G | 27.7 | Very low | 30.8 | Very low | 87 Ų | 87 | 135.5 Ų | 135.5 | 90% | 0.897 | 83% | 0.831 | S | S | * | * | trans | 79 | 155.8 | 133.2 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 578 | G | 26.2 | Very low | 31.2 | Very low | 82 Ų | 82 | 137.7 Ų | 137.7 | 85% | 0.845 | 83% | 0.827 | S | S | * | * | trans | 137.4 | 113 | 167.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 579 | L | 32.4 | Very low | 31.4 | Very low | 183 Ų | 183 | 137.2 Ų | 137.2 | 96% | 0.958 | 82% | 0.815 | S | S | * | * | trans | -97.7 | 129.1 | 165.3 | -80.1 | 158.6 | 0 | 0 | 0 | 109.5 | ||||
| 580 | A | 28.4 | Very low | 31.7 | Very low | 91 Ų | 91 | 139 Ų | 139 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | trans | -173.4 | 115.9 | 156.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 581 | V | 30 | Very low | 31.8 | Very low | 141 Ų | 141 | 145.2 Ų | 145.2 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | 76 | 117.9 | 73.2 | 171.3 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 582 | L | 37 | Very low | 31.9 | Very low | 165 Ų | 165 | 146.4 Ų | 146.4 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | trans | -63.6 | 156.6 | 168.6 | -70.6 | 162.9 | 0 | 0 | 0 | 110.9 | ||||
| 583 | P | 36.3 | Very low | 31.7 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | -129.1 | 145.4 | 123.8 | 35.8 | -30 | 0 | 0 | 0 | 114.2 | |||||
| 584 | L | 31.3 | Very low | 31.7 | Very low | 154 Ų | 154 | 139.5 Ų | 139.5 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | trans | -83.9 | 160.4 | 168 | -171.5 | 74.8 | 0 | 0 | 0 | 109.8 | ||||
| 585 | N | 31.6 | Very low | 31.8 | Very low | 121 Ų | 121 | 140.5 Ų | 140.5 | 65% | 0.647 | 80% | 0.8 | S | S | * | * | 121 | 149.1 | 123.4 | -138.9 | -6.2 | 0 | 0 | 0 | 119.8 | |||||
| 586 | R | 33.1 | Very low | 31.7 | Very low | 203 Ų | 203 | 140.9 Ų | 140.9 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | trans | 72.1 | 111 | 159.3 | -77 | -173.8 | 162.6 | 159.9 | -1.2 | 122.1 | ||||
| 587 | D | 35.2 | Very low | 31.7 | Very low | 132 Ų | 132 | 135.6 Ų | 135.6 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | 48.8 | 143.1 | 101.8 | -60.2 | -35.2 | 0 | 0 | 0 | 119.4 | |||||
| 588 | K | 37.3 | Very low | 32 | Very low | 175 Ų | 175 | 135.4 Ų | 135.4 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | cis | -170 | 148.5 | 39.9 | -145.1 | 164.9 | -176.1 | 179.3 | 0 | 114.6 | ||||
| 589 | N | 33.2 | Very low | 32.2 | Very low | 114 Ų | 114 | 135 Ų | 135 | 61% | 0.61 | 79% | 0.786 | S | S | * | * | trans | 58.1 | 126.5 | 143.3 | -84 | -6.8 | 0 | 0 | 0 | 125 | ||||
| 590 | Q | 34.6 | Very low | 32.3 | Very low | 155 Ų | 155 | 135.6 Ų | 135.6 | 72% | 0.724 | 78% | 0.784 | S | S | * | * | 72.9 | 149.6 | 126.8 | -67.8 | -179.3 | 36.6 | 0 | 0 | 120.1 | |||||
| 591 | R | 29.1 | Very low | 32.4 | Very low | 208 Ų | 208 | 137.8 Ų | 137.8 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | cis | -160.7 | 156.9 | -7.8 | 161.8 | 176.6 | -177.5 | 176.4 | 0.6 | 110 | ||||
| 592 | L | 31.6 | Very low | 32.9 | Very low | 146 Ų | 146 | 136.8 Ų | 136.8 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | -7.2 | 146.7 | 159.6 | -53.3 | 169.7 | 0 | 0 | 0 | 117.4 | ||||
| 593 | S | 30.5 | Very low | 33 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | cis | -179.5 | 166.6 | 13.2 | 31 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 594 | A | 31.1 | Very low | 33 | Very low | 97 Ų | 97 | 138.2 Ų | 138.2 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | cis | -175.7 | -152.6 | -18.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 595 | A | 29.7 | Very low | 33.4 | Very low | 102 Ų | 102 | 138.9 Ų | 138.9 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | 82.3 | 147.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 596 | S | 28.1 | Very low | 33.7 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | 86.4 | 95 | 168.1 | -148.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 597 | V | 32.2 | Very low | 33.8 | Very low | 141 Ų | 141 | 138.3 Ų | 138.3 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | 50.5 | 113.1 | 133.4 | -172 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 598 | G | 32.5 | Very low | 34 | Very low | 83 Ų | 83 | 139.3 Ų | 139.3 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | 95.8 | 107.6 | 126.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 599 | G | 30.4 | Very low | 34.1 | Very low | 74 Ų | 74 | 135.4 Ų | 135.4 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | 175.4 | 115 | 165.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 600 | Q | 35.8 | Very low | 34.7 | Very low | 194 Ų | 194 | 141.8 Ų | 141.8 | 91% | 0.907 | 80% | 0.803 | S | S | * | * | trans | -74.3 | 125.5 | 175.7 | -67.5 | 178.2 | -0 | 0 | 0 | 111 | V602 | Q600-V602 PolarHBondContact O-N 3.01Š| ||
| 601 | T | 30.4 | Very low | 35.6 | Very low | 137 Ų | 137 | 142.2 Ų | 142.2 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | trans | -89 | 96.8 | 173.4 | 38.1 | 0 | 0 | 0 | 0 | 111.1 | P603 | T601-P603 WeakPolarHBondContact O-CD 3.12Š| ||
| 602 | V | 39.5 | Very low | 37 | Very low | 120 Ų | 120 | 138.6 Ų | 138.6 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -64 | 122.2 | 170.3 | 179 | 0 | 0 | 0 | 0 | 109.3 | Q600 K604 | Q600-V602 PolarHBondContact O-N 3.01Å; V602-K604 PolarHBondContact O-N 2.67Å | ||
| 603 | P | 39.1 | Very low | 38.8 | Very low | 114 Ų | 114 | 136.3 Ų | 136.3 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | trans | -66.4 | 126.5 | 175.9 | 27 | -33.1 | 0 | 0 | 0 | 109.8 | T601 Q605 | T601-P603 WeakPolarHBondContact O-CD 3.12Å; P603-Q605 PolarHBondContact O-N 2.82Å; P603-Q605 VanDerWaalsContact O-N 3.14Å | ||
| 604 | K | 36.4 | Very low | 41.2 | Very low | 206 Ų | 206 | 132.8 Ų | 132.8 | 90% | 0.896 | 77% | 0.765 | S | S | * | * | trans | -67.2 | 113.2 | 177 | -75.7 | 177.2 | 178.1 | 169.9 | 0 | 109.6 | V602 | V602-K604 PolarHBondContact O-N 2.67Š| ||
| 605 | Q | 39 | Very low | 43.8 | Very low | 168 Ų | 168 | 131.3 Ų | 131.3 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 131.1 | 165.7 | -77.6 | -73.9 | -12.6 | 0 | 0 | 110.2 | P603 | P603-Q605 PolarHBondContact O-N 2.82Å; P603-Q605 VanDerWaalsContact O-N 3.14Å |
| 606 | P | 39.4 | Very low | 46.7 | Very low | 106 Ų | 106 | 128 Ų | 128 | 69% | 0.688 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 139.2 | 172.4 | 27.1 | -33.3 | 0 | 0 | 0 | 109.2 | N608 | P606-N608 PolarHBondContact O-N 2.92Š|
| 607 | K | 33.8 | Very low | 49.9 | Very low | 207 Ų | 207 | 122.7 Ų | 122.7 | 90% | 0.9 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -58 | 124 | -178.7 | -76.6 | -178.2 | 176.7 | 178 | 0 | 109.9 | S609 | K607-S609 PolarHBondContact O-N 2.95Å; K607-S609 VanDerWaalsContact O-N 3.13Å |
| 608 | N | 41 | Very low | 52.9 | Low | 152 Ų | 152 | 122.7 Ų | 122.7 | 81% | 0.813 | 67% | 0.666 | S | S | * | * | trans | -35.5 | 115.2 | -179.9 | -55.7 | 9 | 0 | 0 | 0 | 112.1 | P606 | P606-N608 PolarHBondContact O-N 2.92Š| ||
| 609 | S | 39.6 | Very low | 55.8 | Low | 93 Ų | 93 | 121.5 Ų | 121.5 | 65% | 0.65 | 64% | 0.644 | S | S | * | * | trans | -53.8 | 146.4 | 149 | 53 | 0 | 0 | 0 | 0 | 107.6 | K607 Q611 | K607-S609 PolarHBondContact O-N 2.95Å; K607-S609 VanDerWaalsContact O-N 3.13Å; S609-Q611 PolarHBondContact O-N 2.97Å | ||
| 610 | R | 45.2 | Very low | 58.8 | Low | 249 Ų | 249 | 119.7 Ų | 119.7 | 94% | 0.94 | 62% | 0.617 | S | S | * | * | trans | -68.9 | 90.5 | 167.9 | -83.7 | -178.5 | 168.5 | 173.4 | -4.3 | 107.4 | K612 | R610-K612 PolarHBondContact O-N 3.2Š| ||
| 611 | Q | 53.3 | Low | 61.5 | Low | 163 Ų | 163 | 112.4 Ų | 112.4 | 76% | 0.762 | 59% | 0.594 | S | S | * | * | trans | -48.8 | 116.6 | 165.4 | -73.5 | -178.1 | -43.6 | 0 | 0 | 107.3 | S609 S613 | S609-Q611 PolarHBondContact O-N 2.97Å; Q611-S613 PolarHBondContact O-N 3.34Å | ||
| 612 | K | 58.7 | Low | 64.4 | Low | 132 Ų | 132 | 113.8 Ų | 113.8 | 57% | 0.574 | 59% | 0.591 | S | S | * | * | trans | -61 | 135.4 | 174.8 | -66.4 | 149.2 | 176.8 | 178.9 | 0 | 106.7 | R610 T614 E686 | R610-K612 PolarHBondContact O-N 3.2Å; K612-T614 PolarHBondContact O-N 3.15Å; K612-T614 VanDerWaalsContact O-N 3.09Å; K612-E686 HydrophobicContact CB-CG 4.5Å; K612-E686 HydrophobicContact CD-CG 4.27Å; K612-E686 WeakPolarHBondContact CD-OE1 3.21Å; K612-E686 WeakPolarHBondContact CD-OE2 3.41Å; K612-E686 WeakPolarHBondContact CE-OE1 3.24Å; K612-E686 IonicContact NZ-OE1 3.24Å; K612-E686 PolarHBondContact NZ-OE1 3.32Å; K612-E686 IonicContact NZ-OE2 2.67Å | ||
| 613 | S | 68.4 | Low | 67.1 | Low | 98 Ų | 98 | 111.8 Ų | 111.8 | 69% | 0.685 | 58% | 0.581 | S | S | * | * | trans | -66.3 | 114.5 | -166.1 | 53.6 | 0 | 0 | 0 | 0 | 111.3 | Q611 N615 A726 | Q611-S613 PolarHBondContact O-N 3.34Å; S613-N615 PolarHBondContact O-N 3.3Å; S613-A726 VanDerWaalsContact O-CB 3.3Å; S613-A726 WeakPolarHBondContact O-CB 3.4Å | ||
| 614 | T | 81.1 | Confident | 69.8 | Low | 39 Ų | 39 | 110.6 Ų | 110.6 | 24% | 0.239 | 56% | 0.564 | C | S | . | * | trans | -65.5 | 18.3 | 171.1 | 57.8 | 0 | 0 | 0 | 0 | 113.5 | K612 G616 W617 L687 | K612-T614 PolarHBondContact O-N 3.15Å; K612-T614 VanDerWaalsContact O-N 3.09Å; T614-G616 PolarHBondContact O-N 3.33Å; T614-G616 VanDerWaalsContact O-N 3.16Å; T614-W617 WeakPolarHBondContact CB-O 3.44Å; T614-W617 VanDerWaalsContact O-CB 3.3Å; T614-W617 WeakPolarHBondContact O-CB 3.42Å; T614-W617 PolarHBondContact O-N 2.82Å; T614-W617 PolarHBondContact OG1-O 2.79Å; T614-L687 HydrophobicContact CG2-CB 4.27Å; T614-L687 HydrophobicContact CG2-CD1 4.45Å; T614-L687 HydrophobicContact CG2-CG 4.48Å | ||
| 615 | N | 86.6 | Confident | 72.6 | Confident | 66 Ų | 66 | 108.4 Ų | 108.4 | 35% | 0.353 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 48.7 | 37.4 | -173.1 | -162.7 | 44.5 | 0 | 0 | 0 | 113.6 | S613 W617 R647 K661 A726 | S613-N615 PolarHBondContact O-N 3.3Å; N615-W617 VanDerWaalsContact C-N 3.3Å; N615-W617 PolarHBondContact O-N 2.69Å; N615-R647 WeakPolarHBondContact O-CD 3.4Å; N615-K661 PolarHBondContact ND2-NZ 2.99Å; N615-A726 HydrophobicContact CB-CB 4.06Å; N615-A726 WeakPolarHBondContact CB-O 3.48Å |
| 616 | G | 90.3 | Very high | 75.2 | Confident | 32 Ų | 32 | 103.2 Ų | 103.2 | 33% | 0.33 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | -15.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | T614 R618 | T614-G616 PolarHBondContact O-N 3.33Å; T614-G616 VanDerWaalsContact O-N 3.16Å; G616-R618 PolarHBondContact O-NH1 3.46Å |
| 617 | W | 94.9 | Very high | 77.7 | Confident | 2 Ų | 2 | 102 Ų | 102 | 1% | 0.008 | 52% | 0.517 | C | S | . | . | trans | -62.7 | 136.6 | 179.3 | -65.8 | 110.2 | 0 | 0 | 0 | 112.3 | T614 N615 I645 R646 R647 D650 I652 V725 I728 | T614-W617 WeakPolarHBondContact CB-O 3.44Å; T614-W617 VanDerWaalsContact O-CB 3.3Å; T614-W617 WeakPolarHBondContact O-CB 3.42Å; T614-W617 PolarHBondContact O-N 2.82Å; T614-W617 PolarHBondContact OG1-O 2.79Å; N615-W617 VanDerWaalsContact C-N 3.3Å; N615-W617 PolarHBondContact O-N 2.69Å; W617-I645 HydrophobicContact CD2-CD1 3.87Å; W617-I645 HydrophobicContact CD2-CG1 4.36Å; W617-I645 HydrophobicContact CE3-CB 3.98Å; W617-I645 HydrophobicContact CE3-CD1 3.77Å; W617-I645 HydrophobicContact CE3-CG1 3.75Å; W617-I645 HydrophobicContact CG-CD1 4.2Å; W617-I645 HydrophobicContact CZ3-CD1 4.33Å; W617-I645 HydrophobicContact CZ3-CG1 4.14Å; W617-R646 VanDerWaalsContact CE3-C 3.46Å; W617-R647 HydrophobicContact CD2-CB 3.62Å; W617-R647 HydrophobicContact CE3-CB 3.4Å; W617-R647 HydrophobicContact CG-CB 4.31Å; W617-R647 HydrophobicContact CH2-CB 3.88Å; W617-R647 HydrophobicContact CZ2-CB 4.13Å; W617-R647 HydrophobicContact CZ3-CB 3.53Å; W617-D650 HydrophobicContact CH2-CB 3.83Å; W617-D650 HydrophobicContact CZ3-CB 4.23Å; W617-I652 HydrophobicContact CH2-CD1 3.33Å; W617-I652 HydrophobicContact CH2-CG1 3.93Å; W617-I652 HydrophobicContact CZ2-CD1 3.72Å; W617-I652 HydrophobicContact CZ3-CD1 3.99Å; W617-I652 HydrophobicContact CZ3-CG1 4.24Å; W617-V725 HydrophobicContact CB-CB 4.47Å; W617-V725 HydrophobicContact CB-CG2 3.76Å; W617-V725 HydrophobicContact CG-CB 4.43Å; W617-V725 HydrophobicContact CG-CG2 4.16Å; W617-V725 PolarHBondContact NE1-O 2.91Å; W617-I728 HydrophobicContact CZ2-CB 4.08Å; W617-I728 HydrophobicContact CZ2-CD1 4.49Å; W617-I728 HydrophobicContact CZ2-CG2 3.7Å | ||
| 618 | R | 94.7 | Very high | 80.5 | Confident | 142 Ų | 142 | 92.4 Ų | 92.4 | 54% | 0.536 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 147.4 | 175.3 | -62.7 | 178.3 | -66.9 | -81.2 | 15.1 | 109.1 | G616 I645 R646 | G616-R618 PolarHBondContact O-NH1 3.46Å; R618-I645 CarbonylContact O-C 3.6Å; R618-I645 WeakPolarHBondContact O-CA 3.17Å; R618-R646 PolarHBondContact N-O 3.09Å; R618-R646 PolarHBondContact O-N 2.99Å |
| 619 | S | 94.8 | Very high | 82.7 | Confident | 57 Ų | 57 | 88.1 Ų | 88.1 | 40% | 0.399 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 147.4 | 176.5 | 49.9 | 0 | 0 | 0 | 0 | 112.4 | F642 | S619-F642 VanDerWaalsContact CB-CD1 3.47Å |
| 620 | L | 93.6 | Very high | 85 | Confident | 37 Ų | 37 | 84.5 Ų | 84.5 | 19% | 0.194 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 140.3 | 177.4 | -178.4 | 142.7 | 0 | 0 | 0 | 110.2 | E643 G644 R646 E651 | L620-E643 PolarHBondContact O-N 3.22Å; L620-G644 PolarHBondContact N-O 3.37Å; L620-G644 PolarHBondContact O-N 3.5Å; L620-R646 HydrophobicContact CD1-CB 4.08Å; L620-E651 HydrophobicContact CD1-CG 4.06Å; L620-E651 VanDerWaalsContact CD1-OE2 3.31Å; L620-E651 WeakPolarHBondContact CD1-OE2 3.46Å |
| 621 | G | 90.9 | Very high | 86.9 | Confident | 41 Ų | 41 | 77 Ų | 77 | 42% | 0.423 | 41% | 0.406 | S | S | . | . | S | Bend | trans | 89.5 | 175 | -165.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 622 | Q | 92.9 | Very high | 88.3 | Confident | 166 Ų | 166 | 73.1 Ų | 73.1 | 78% | 0.776 | 41% | 0.409 | S | S | * | . | trans | -78.5 | 149 | 168.9 | -68.3 | -176.6 | -4.6 | 0 | 0 | 109.9 | ||||
| 623 | P | 94.9 | Very high | 89.5 | Confident | 78 Ų | 78 | 70.8 Ų | 70.8 | 51% | 0.506 | 40% | 0.4 | S | S | . | . | trans | -68.1 | 135.1 | 171.6 | 28 | -32.7 | 0 | 0 | 0 | 110.8 | K640 C641 F642 | P623-K640 HydrophobicContact CB-CD 4.4Å; P623-K640 HydrophobicContact CB-CG 3.86Å; P623-C641 WeakPolarHBondContact CA-O 3.23Å; P623-F642 HydrophobicContact CB-CD1 4.32Å; P623-F642 HydrophobicContact CB-CE1 3.82Å | ||
| 624 | F | 95.6 | Very high | 90 | Very high | 89 Ų | 89 | 76 Ų | 76 | 39% | 0.39 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 155 | 174.3 | 62.3 | -87.7 | 0 | 0 | 0 | 110.5 | K626 C641 E643 | F624-K626 HydrophobicContact CD2-CB 4.11Å; F624-K626 HydrophobicContact CE2-CB 3.84Å; F624-K626 HydrophobicContact CE2-CD 4.46Å; F624-K626 HydrophobicContact CE2-CG 4.31Å; F624-C641 HydrophobicContact CD2-CB 4.08Å; F624-C641 HydrophobicContact CE1-CB 4.24Å; F624-C641 HydrophobicContact CE2-CB 3.7Å; F624-C641 HydrophobicContact CZ-CB 3.78Å; F624-C641 PolarHBondContact N-O 3Å; F624-C641 WeakPolarHBondContact O-CA 3.43Å; F624-C641 WeakPolarHBondContact O-CB 3.46Å; F624-C641 PolarHBondContact O-N 2.95Å; F624-E643 HydrophobicContact CE1-CG 3.98Å |
| 625 | E | 95.9 | Very high | 90.3 | Very high | 160 Ų | 160 | 77.2 Ų | 77.2 | 75% | 0.748 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 136 | 175.3 | -64.8 | -172.2 | 165.8 | 0 | 0 | 110.9 | ||
| 626 | K | 93.4 | Very high | 90.4 | Very high | 58 Ų | 58 | 77.8 Ų | 77.8 | 25% | 0.252 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 148.4 | 175.2 | -161.1 | -145.6 | 169.2 | -156.8 | 0 | 110.8 | D161 F624 V628 L638 R639 C641 | D161-K626 WeakPolarHBondContact OD2-CE 3.4Å; D161-K626 IonicContact OD2-NZ 3.95Å; D161-K626 PolarHBondContact OD2-NZ 2.9Å; F624-K626 HydrophobicContact CD2-CB 4.11Å; F624-K626 HydrophobicContact CE2-CB 3.84Å; F624-K626 HydrophobicContact CE2-CD 4.46Å; F624-K626 HydrophobicContact CE2-CG 4.31Å; K626-V628 PolarHBondContact O-N 3.31Å; K626-L638 WeakPolarHBondContact O-CA 3.43Å; K626-R639 PolarHBondContact N-O 2.9Å; K626-R639 VanDerWaalsContact N-O 3.1Å; K626-R639 PolarHBondContact O-N 2.91Å; K626-C641 HydrophobicContact CB-CB 4.14Å |
| 627 | E | 93 | Very high | 90.5 | Very high | 81 Ų | 81 | 77.4 Ų | 77.4 | 38% | 0.379 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 125.4 | 162.7 | -77.2 | 178.2 | -147.4 | 0 | 0 | 111 | P636 V637 L638 | E627-P636 HydrophobicContact CB-CB 3.77Å; E627-P636 HydrophobicContact CG-CB 4.13Å; E627-V637 CarbonylContact C-O 3.55Å; E627-V637 WeakPolarHBondContact CA-O 3.44Å; E627-L638 HydrophobicContact CG-CD2 4.04Å |
| 628 | V | 91.9 | Very high | 90.5 | Very high | 6 Ų | 6 | 82.8 Ų | 82.8 | 4% | 0.036 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 155.9 | 174.3 | -56.2 | 0 | 0 | 0 | 0 | 111.4 | K626 V630 P636 V637 R639 C641 A677 W679 | K626-V628 PolarHBondContact O-N 3.31Å; V628-V630 HydrophobicContact CG2-CG2 4.15Å; V628-P636 WeakPolarHBondContact O-CA 3.41Å; V628-V637 PolarHBondContact N-O 3.48Å; V628-V637 PolarHBondContact O-N 3.27Å; V628-R639 HydrophobicContact CG2-CB 3.73Å; V628-R639 HydrophobicContact CG2-CG 3.4Å; V628-C641 WeakPolarHBondContact CG1-SG 3.37Å; V628-A677 HydrophobicContact CB-CB 4.19Å; V628-A677 HydrophobicContact CG1-CB 3.52Å; V628-W679 HydrophobicContact CG1-CG 4.38Å; V628-W679 HydrophobicContact CG2-CD2 4.17Å; V628-W679 HydrophobicContact CG2-CG 4.08Å |
| 629 | F | 87.6 | Confident | 90.5 | Very high | 61 Ų | 61 | 77.7 Ų | 77.7 | 27% | 0.268 | 44% | 0.436 | S | S | . | . | trans | -80.4 | 131.5 | 172.8 | 171.3 | -95 | 0 | 0 | 0 | 110.8 | V631 S690 Q720 V722 | F629-V631 HydrophobicContact CE1-CG2 3.89Å; F629-V631 HydrophobicContact CZ-CG2 4.4Å; F629-S690 PolarHBondContact O-OG 3.27Å; F629-Q720 HydrophobicContact CB-CG 4.36Å; F629-Q720 HydrophobicContact CD1-CB 4.48Å; F629-Q720 HydrophobicContact CD1-CG 3.67Å; F629-Q720 HydrophobicContact CD2-CG 4.37Å; F629-Q720 HydrophobicContact CE1-CB 4.29Å; F629-Q720 HydrophobicContact CE1-CG 3.97Å; F629-Q720 HydrophobicContact CG-CG 3.88Å; F629-Q720 HydrophobicContact CZ-CB 4.46Å; F629-Q720 HydrophobicContact CZ-CG 4.44Å; F629-V722 HydrophobicContact CD1-CG2 4.08Å; F629-V722 HydrophobicContact CE1-CG2 4.43Å; F629-V722 VanDerWaalsContact O-CG2 3.28Å; F629-V722 WeakPolarHBondContact O-CG2 3.43Å | ||
| 630 | V | 87.4 | Confident | 90.6 | Very high | 17 Ų | 17 | 79.1 Ų | 79.1 | 10% | 0.103 | 44% | 0.435 | C | S | . | . | trans | -125.2 | 133.3 | 178 | -176.1 | 0 | 0 | 0 | 0 | 108.7 | V628 G632 E633 V637 W679 | V628-V630 HydrophobicContact CG2-CG2 4.15Å; V630-G632 PolarHBondContact O-N 2.92Å; V630-E633 HydrophobicContact CB-CB 4.41Å; V630-E633 HydrophobicContact CB-CG 4.34Å; V630-E633 HydrophobicContact CG1-CG 4.41Å; V630-E633 PolarHBondContact O-N 3.48Å; V630-V637 HydrophobicContact CB-CG2 4.06Å; V630-V637 HydrophobicContact CG2-CB 4.06Å; V630-V637 HydrophobicContact CG2-CG2 3.69Å; V630-W679 HydrophobicContact CG2-CH2 4.34Å; V630-W679 HydrophobicContact CG2-CZ2 4.25Å | ||
| 631 | V | 85 | Confident | 90.8 | Very high | 93 Ų | 93 | 77.4 Ų | 77.4 | 56% | 0.564 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | 115.8 | -178.5 | 175.8 | 0 | 0 | 0 | 0 | 109.9 | F629 V722 | F629-V631 HydrophobicContact CE1-CG2 3.89Å; F629-V631 HydrophobicContact CZ-CG2 4.4Å; V631-V722 HydrophobicContact CG2-CB 3.96Å; V631-V722 HydrophobicContact CG2-CG2 4.02Å |
| 632 | G | 83.3 | Confident | 91 | Very high | 81 Ų | 81 | 75.8 Ų | 75.8 | 84% | 0.835 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 110.9 | -15.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | V630 | V630-G632 PolarHBondContact O-N 2.92Š|
| 633 | E | 84 | Confident | 91.1 | Very high | 83 Ų | 83 | 73.4 Ų | 73.4 | 39% | 0.388 | 40% | 0.396 | S | S | . | . | trans | -100.8 | 126.8 | 175.2 | -56.4 | -169.7 | -114.9 | 0 | 0 | 109.3 | V630 V637 R639 | V630-E633 HydrophobicContact CB-CB 4.41Å; V630-E633 HydrophobicContact CB-CG 4.34Å; V630-E633 HydrophobicContact CG1-CG 4.41Å; V630-E633 PolarHBondContact O-N 3.48Å; E633-V637 HydrophobicContact CB-CG2 3.91Å; E633-V637 HydrophobicContact CG-CG2 4.19Å; E633-V637 WeakPolarHBondContact OE1-CG2 3.49Å; E633-V637 VanDerWaalsContact OE2-CG2 3.29Å; E633-V637 WeakPolarHBondContact OE2-CG2 3.46Å; E633-R639 IonicContact OE1-CZ 3.46Å; E633-R639 IonicContact OE1-NH2 2.87Å; E633-R639 PolarHBondContact OE1-NH2 3.1Å | ||
| 634 | E | 78.8 | Confident | 91.1 | Very high | 206 Ų | 206 | 69.7 Ų | 69.7 | 96% | 0.963 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -76.9 | -30.6 | -177.8 | -176 | 172.4 | -165.6 | 0 | 0 | 112.4 | ||
| 635 | A | 87 | Confident | 91.1 | Very high | 65 Ų | 65 | 65.5 Ų | 65.5 | 54% | 0.537 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -92.7 | 148.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 636 | P | 89.1 | Confident | 91.1 | Very high | 79 Ų | 79 | 64 Ų | 64 | 51% | 0.513 | 34% | 0.341 | S | S | . | . | trans | -58.9 | 146.4 | 165 | -21.3 | 33.8 | 0 | 0 | 0 | 111.6 | E627 V628 | E627-P636 HydrophobicContact CB-CB 3.77Å; E627-P636 HydrophobicContact CG-CB 4.13Å; V628-P636 WeakPolarHBondContact O-CA 3.41Å | ||
| 637 | V | 92.4 | Very high | 91.2 | Very high | 24 Ų | 24 | 62.7 Ų | 62.7 | 15% | 0.145 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 132.6 | -170.1 | -163.2 | 0 | 0 | 0 | 0 | 109.2 | E627 V628 V630 E633 R639 | E627-V637 CarbonylContact C-O 3.55Å; E627-V637 WeakPolarHBondContact CA-O 3.44Å; V628-V637 PolarHBondContact N-O 3.48Å; V628-V637 PolarHBondContact O-N 3.27Å; V630-V637 HydrophobicContact CB-CG2 4.06Å; V630-V637 HydrophobicContact CG2-CB 4.06Å; V630-V637 HydrophobicContact CG2-CG2 3.69Å; E633-V637 HydrophobicContact CB-CG2 3.91Å; E633-V637 HydrophobicContact CG-CG2 4.19Å; E633-V637 WeakPolarHBondContact OE1-CG2 3.49Å; E633-V637 VanDerWaalsContact OE2-CG2 3.29Å; E633-V637 WeakPolarHBondContact OE2-CG2 3.46Å; V637-R639 HydrophobicContact CB-CG 4.42Å; V637-R639 PolarHBondContact O-N 3.22Å |
| 638 | L | 94.9 | Very high | 91 | Very high | 114 Ų | 114 | 65.5 Ų | 65.5 | 60% | 0.597 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 117.9 | 170.9 | -71.4 | 172.7 | 0 | 0 | 0 | 109.5 | K626 E627 | K626-L638 WeakPolarHBondContact O-CA 3.43Å; E627-L638 HydrophobicContact CG-CD2 4.04Å |
| 639 | R | 95.1 | Very high | 90.8 | Very high | 36 Ų | 36 | 67.5 Ų | 67.5 | 14% | 0.136 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 156.2 | 174.7 | -58.2 | -66.3 | 178.6 | 101.3 | -7.2 | 110.1 | K626 V628 E633 V637 C641 W679 | K626-R639 PolarHBondContact N-O 2.9Å; K626-R639 VanDerWaalsContact N-O 3.1Å; K626-R639 PolarHBondContact O-N 2.91Å; V628-R639 HydrophobicContact CG2-CB 3.73Å; V628-R639 HydrophobicContact CG2-CG 3.4Å; E633-R639 IonicContact OE1-CZ 3.46Å; E633-R639 IonicContact OE1-NH2 2.87Å; E633-R639 PolarHBondContact OE1-NH2 3.1Å; V637-R639 HydrophobicContact CB-CG 4.42Å; V637-R639 PolarHBondContact O-N 3.22Å; R639-C641 PolarHBondContact O-N 2.83Å; R639-C641 PolarHBondContact O-SG 3.29Å; R639-W679 HydrophobicContact CB-CB 4.19Å; R639-W679 HydrophobicContact CB-CE3 4.46Å; R639-W679 HydrophobicContact CB-CG 4.48Å; R639-W679 HydrophobicContact CG-CE3 4.33Å; R639-W679 VanDerWaalsContact NH1-CZ3 3.29Å |
| 640 | K | 96.2 | Very high | 90.9 | Very high | 86 Ų | 86 | 67.5 Ų | 67.5 | 37% | 0.374 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 109.9 | 173.2 | -179.2 | -171.6 | 178.1 | -163.3 | 0 | 109.2 | P623 W679 E680 | P623-K640 HydrophobicContact CB-CD 4.4Å; P623-K640 HydrophobicContact CB-CG 3.86Å; K640-W679 CarbonylContact O-C 3.57Å; K640-W679 WeakPolarHBondContact O-CA 3.35Å; K640-W679 WeakPolarHBondContact O-CB 3.3Å; K640-E680 HydrophobicContact CB-CB 4.35Å; K640-E680 HydrophobicContact CD-CB 4.11Å; K640-E680 WeakPolarHBondContact CE-OE2 3.29Å; K640-E680 HydrophobicContact CG-CB 4.48Å; K640-E680 IonicContact NZ-OE1 2.61Å; K640-E680 PolarHBondContact NZ-OE1 2.89Å; K640-E680 IonicContact NZ-OE2 2.91Å; K640-E680 PolarHBondContact NZ-OE2 2.87Å; K640-E680 PolarHBondContact O-N 3.19Å |
| 641 | C | 96.9 | Very high | 91.2 | Very high | 2 Ų | 2 | 69.4 Ų | 69.4 | 1% | 0.014 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 163.2 | -171.6 | -66.4 | 0 | 0 | 0 | 0 | 113 | P623 F624 K626 V628 R639 L678 | P623-C641 WeakPolarHBondContact CA-O 3.23Å; F624-C641 HydrophobicContact CD2-CB 4.08Å; F624-C641 HydrophobicContact CE1-CB 4.24Å; F624-C641 HydrophobicContact CE2-CB 3.7Å; F624-C641 HydrophobicContact CZ-CB 3.78Å; F624-C641 PolarHBondContact N-O 3Å; F624-C641 WeakPolarHBondContact O-CA 3.43Å; F624-C641 WeakPolarHBondContact O-CB 3.46Å; F624-C641 PolarHBondContact O-N 2.95Å; K626-C641 HydrophobicContact CB-CB 4.14Å; V628-C641 WeakPolarHBondContact CG1-SG 3.37Å; R639-C641 PolarHBondContact O-N 2.83Å; R639-C641 PolarHBondContact O-SG 3.29Å; C641-L678 CarbonylContact C-O 3.56Å; C641-L678 WeakPolarHBondContact CA-O 3.14Å |
| 642 | F | 96.2 | Very high | 91.7 | Very high | 6 Ų | 6 | 65 Ų | 65 | 3% | 0.026 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 155.1 | 179 | -52 | -79.8 | 0 | 0 | 0 | 111.2 | S619 P623 L678 E680 L687 | S619-F642 VanDerWaalsContact CB-CD1 3.47Å; P623-F642 HydrophobicContact CB-CD1 4.32Å; P623-F642 HydrophobicContact CB-CE1 3.82Å; F642-L678 PolarHBondContact N-O 2.85Å; F642-E680 HydrophobicContact CE2-CB 4.04Å; F642-E680 HydrophobicContact CZ-CB 4.35Å; F642-L687 HydrophobicContact CD2-CD2 3.94Å; F642-L687 HydrophobicContact CE2-CD2 3.45Å; F642-L687 VanDerWaalsContact CE2-CD2 3.45Å; F642-L687 HydrophobicContact CZ-CD2 4.23Å |
| 643 | E | 94.3 | Very high | 92.3 | Very high | 116 Ų | 116 | 66.9 Ų | 66.9 | 54% | 0.542 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -74.8 | -31.4 | 179.1 | -58.8 | -175.5 | 137.3 | 0 | 0 | 112 | L620 F624 R653 V654 | L620-E643 PolarHBondContact O-N 3.22Å; F624-E643 HydrophobicContact CE1-CG 3.98Å; E643-R653 WeakPolarHBondContact O-CA 3.45Å; E643-V654 PolarHBondContact O-N 3.32Å |
| 644 | G | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | -177.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | L620 I652 L678 | L620-G644 PolarHBondContact N-O 3.37Å; L620-G644 PolarHBondContact O-N 3.5Å; G644-I652 CarbonylContact C-O 3.57Å; G644-I652 WeakPolarHBondContact CA-O 3.49Å; G644-L678 VanDerWaalsContact CA-CD1 3.5Å |
| 645 | I | 96.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 152.5 | 170 | 54.3 | 175.1 | 0 | 0 | 0 | 109.6 | W617 R618 I652 L678 L687 V725 I728 | W617-I645 HydrophobicContact CD2-CD1 3.87Å; W617-I645 HydrophobicContact CD2-CG1 4.36Å; W617-I645 HydrophobicContact CE3-CB 3.98Å; W617-I645 HydrophobicContact CE3-CD1 3.77Å; W617-I645 HydrophobicContact CE3-CG1 3.75Å; W617-I645 HydrophobicContact CG-CD1 4.2Å; W617-I645 HydrophobicContact CZ3-CD1 4.33Å; W617-I645 HydrophobicContact CZ3-CG1 4.14Å; R618-I645 CarbonylContact O-C 3.6Å; R618-I645 WeakPolarHBondContact O-CA 3.17Å; I645-I652 HydrophobicContact CD1-CB 4.47Å; I645-I652 HydrophobicContact CG1-CB 3.98Å; I645-I652 PolarHBondContact N-O 3.29Å; I645-I652 PolarHBondContact O-N 2.82Å; I645-L678 HydrophobicContact CD1-CD2 4.1Å; I645-L678 HydrophobicContact CG1-CD1 4.35Å; I645-L678 HydrophobicContact CG1-CD2 4.36Å; I645-L678 HydrophobicContact CG2-CD1 4.34Å; I645-L678 HydrophobicContact CG2-CD2 4.25Å; I645-L687 HydrophobicContact CG2-CD1 4.44Å; I645-V725 HydrophobicContact CD1-CB 3.94Å; I645-V725 HydrophobicContact CD1-CG1 3.87Å; I645-I728 HydrophobicContact CD1-CD1 3.5Å |
| 646 | R | 95.6 | Very high | 93.7 | Very high | 130 Ų | 130 | 56.1 Ų | 56.1 | 49% | 0.491 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 140.4 | -178.6 | -169.5 | 176.3 | 176 | -169.8 | -3.1 | 112.3 | W617 R618 L620 D650 | W617-R646 VanDerWaalsContact CE3-C 3.46Å; R618-R646 PolarHBondContact N-O 3.09Å; R618-R646 PolarHBondContact O-N 2.99Å; L620-R646 HydrophobicContact CD1-CB 4.08Å; R646-D650 VanDerWaalsContact CA-O 3.3Å; R646-D650 WeakPolarHBondContact CA-O 3.47Å; R646-D650 VanDerWaalsContact CG-O 3.29Å; R646-D650 WeakPolarHBondContact CG-O 3.36Å |
| 647 | R | 94.3 | Very high | 93.9 | Very high | 30 Ų | 30 | 52.9 Ų | 52.9 | 11% | 0.113 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 119.8 | 175.5 | 175.5 | -168.6 | 69.5 | -171.6 | 4.3 | 108.4 | N615 W617 G649 D650 I728 E729 | N615-R647 WeakPolarHBondContact O-CD 3.4Å; W617-R647 HydrophobicContact CD2-CB 3.62Å; W617-R647 HydrophobicContact CE3-CB 3.4Å; W617-R647 HydrophobicContact CG-CB 4.31Å; W617-R647 HydrophobicContact CH2-CB 3.88Å; W617-R647 HydrophobicContact CZ2-CB 4.13Å; W617-R647 HydrophobicContact CZ3-CB 3.53Å; R647-G649 PolarHBondContact O-N 3.38Å; R647-D650 IonicContact CZ-OD2 3.98Å; R647-D650 VanDerWaalsContact CZ-OD2 3.24Å; R647-D650 PolarHBondContact N-O 2.93Å; R647-D650 IonicContact NE-OD2 2.69Å; R647-D650 PolarHBondContact NE-OD2 2.93Å; R647-D650 IonicContact NH2-OD2 2.66Å; R647-D650 PolarHBondContact NH2-OD2 2.84Å; R647-D650 WeakPolarHBondContact O-CB 3.29Å; R647-D650 VanDerWaalsContact O-CG 3.29Å; R647-D650 PolarHBondContact O-N 2.62Å; R647-I728 PolarHBondContact NH1-O 3.05Å; R647-E729 PolarHBondContact NH1-O 2.86Å; R647-E729 VanDerWaalsContact NH1-O 3.14Å; R647-E729 PolarHBondContact NH2-O 2.82Å |
| 648 | D | 89.4 | Confident | 94.1 | Very high | 139 Ų | 139 | 51.7 Ų | 51.7 | 74% | 0.743 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53 | -1.2 | 166 | -50.3 | -25.7 | 0 | 0 | 0 | 119.5 | ||
| 649 | G | 86.9 | Confident | 94.1 | Very high | 49 Ų | 49 | 47.2 Ų | 47.2 | 51% | 0.505 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 157.7 | -51.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | R647 | R647-G649 PolarHBondContact O-N 3.38Š|
| 650 | D | 91.2 | Very high | 94.1 | Very high | 61 Ų | 61 | 45.7 Ų | 45.7 | 33% | 0.326 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -51.6 | 132.1 | 178 | -33.1 | -25.1 | 0 | 0 | 0 | 112.9 | W617 R646 R647 | W617-D650 HydrophobicContact CH2-CB 3.83Å; W617-D650 HydrophobicContact CZ3-CB 4.23Å; R646-D650 VanDerWaalsContact CA-O 3.3Å; R646-D650 WeakPolarHBondContact CA-O 3.47Å; R646-D650 VanDerWaalsContact CG-O 3.29Å; R646-D650 WeakPolarHBondContact CG-O 3.36Å; R647-D650 IonicContact CZ-OD2 3.98Å; R647-D650 VanDerWaalsContact CZ-OD2 3.24Å; R647-D650 PolarHBondContact N-O 2.93Å; R647-D650 IonicContact NE-OD2 2.69Å; R647-D650 PolarHBondContact NE-OD2 2.93Å; R647-D650 IonicContact NH2-OD2 2.66Å; R647-D650 PolarHBondContact NH2-OD2 2.84Å; R647-D650 WeakPolarHBondContact O-CB 3.29Å; R647-D650 VanDerWaalsContact O-CG 3.29Å; R647-D650 PolarHBondContact O-N 2.62Å |
| 651 | E | 93.9 | Very high | 93.7 | Very high | 56 Ų | 56 | 45.8 Ų | 45.8 | 26% | 0.262 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 125.3 | 171.8 | -169.8 | 176.6 | 125.9 | 0 | 0 | 110.6 | L620 R653 K731 | L620-E651 HydrophobicContact CD1-CG 4.06Å; L620-E651 VanDerWaalsContact CD1-OE2 3.31Å; L620-E651 WeakPolarHBondContact CD1-OE2 3.46Å; E651-R653 IonicContact OE1-CZ 2.69Å; E651-R653 IonicContact OE1-NE 3.33Å; E651-R653 PolarHBondContact OE1-NE 3.28Å; E651-R653 IonicContact OE1-NH2 2.7Å; E651-R653 PolarHBondContact OE1-NH2 2.9Å; E651-K731 PolarHBondContact O-NZ 2.91Å |
| 652 | I | 95.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 120 | 179.9 | -61.9 | 173.3 | 0 | 0 | 0 | 107.5 | W617 G644 I645 D656 V658 V675 I728 K731 | W617-I652 HydrophobicContact CH2-CD1 3.33Å; W617-I652 HydrophobicContact CH2-CG1 3.93Å; W617-I652 HydrophobicContact CZ2-CD1 3.72Å; W617-I652 HydrophobicContact CZ3-CD1 3.99Å; W617-I652 HydrophobicContact CZ3-CG1 4.24Å; G644-I652 CarbonylContact C-O 3.57Å; G644-I652 WeakPolarHBondContact CA-O 3.49Å; I645-I652 HydrophobicContact CD1-CB 4.47Å; I645-I652 HydrophobicContact CG1-CB 3.98Å; I645-I652 PolarHBondContact N-O 3.29Å; I645-I652 PolarHBondContact O-N 2.82Å; I652-D656 HydrophobicContact CG2-CB 4.16Å; I652-V658 HydrophobicContact CD1-CG1 3.86Å; I652-V658 HydrophobicContact CG1-CG1 4.48Å; I652-V658 HydrophobicContact CG2-CG1 3.68Å; I652-V675 HydrophobicContact CG2-CG2 4.31Å; I652-I728 HydrophobicContact CD1-CD1 4.13Å; I652-I728 HydrophobicContact CD1-CG2 3.71Å; I652-K731 HydrophobicContact CG1-CB 4.33Å; I652-K731 HydrophobicContact CG1-CD 4.39Å; I652-K731 HydrophobicContact CG1-CG 4.47Å |
| 653 | R | 94.5 | Very high | 91.3 | Very high | 121 Ų | 121 | 48.6 Ų | 48.6 | 46% | 0.457 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 164 | 178.1 | -64 | -173.7 | -179.8 | -155.9 | -3 | 111 | E643 E651 R655 D656 | E643-R653 WeakPolarHBondContact O-CA 3.45Å; E651-R653 IonicContact OE1-CZ 2.69Å; E651-R653 IonicContact OE1-NE 3.33Å; E651-R653 PolarHBondContact OE1-NE 3.28Å; E651-R653 IonicContact OE1-NH2 2.7Å; E651-R653 PolarHBondContact OE1-NH2 2.9Å; R653-R655 PolarHBondContact O-N 3.37Å; R653-D656 PolarHBondContact N-OD2 3.41Å; R653-D656 WeakPolarHBondContact O-CB 3.39Å; R653-D656 PolarHBondContact O-N 3.09Å; R653-D656 VanDerWaalsContact O-N 3.14Å |
| 654 | V | 93.3 | Very high | 89.9 | Confident | 41 Ų | 41 | 49.6 Ų | 49.6 | 25% | 0.248 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 140.9 | 163.5 | -178 | 0 | 0 | 0 | 0 | 109 | E643 S676 L678 | E643-V654 PolarHBondContact O-N 3.32Å; V654-S676 WeakPolarHBondContact CG1-O 3.4Å; V654-L678 HydrophobicContact CG2-CB 4.44Å; V654-L678 HydrophobicContact CG2-CD1 4.05Å; V654-L678 HydrophobicContact CG2-CG 4.18Å |
| 655 | R | 91.9 | Very high | 88.2 | Confident | 79 Ų | 79 | 56.9 Ų | 56.9 | 30% | 0.298 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | -12.4 | -171.2 | -48.3 | -171.7 | 162.3 | 166 | -3.6 | 116.8 | L158 R653 K674 V675 H774 | L158-R655 HydrophobicContact CD1-CB 3.69Å; L158-R655 HydrophobicContact CD1-CG 3.65Å; L158-R655 HydrophobicContact CD2-CG 4.14Å; L158-R655 HydrophobicContact CG-CG 4.32Å; L158-R655 PolarHBondContact O-NH2 3.4Å; R653-R655 PolarHBondContact O-N 3.37Å; R655-K674 WeakPolarHBondContact O-CE 3.37Å; R655-V675 WeakPolarHBondContact CA-O 3.48Å; R655-V675 PolarHBondContact N-O 2.9Å; R655-H774 HydrophobicContact CB-CB 4.22Å; R655-H774 VanDerWaalsContact CD-CE1 3.43Å; R655-H774 WeakPolarHBondContact CD-CE1 3.45Å |
| 656 | D | 93.9 | Very high | 86.4 | Confident | 8 Ų | 8 | 66.8 Ų | 66.8 | 4% | 0.043 | 34% | 0.336 | C | S | . | . | trans | -69.3 | 161.9 | 172.5 | -72.2 | -26.9 | 0 | 0 | 0 | 112.1 | I652 R653 V675 K731 H774 | I652-D656 HydrophobicContact CG2-CB 4.16Å; R653-D656 PolarHBondContact N-OD2 3.41Å; R653-D656 WeakPolarHBondContact O-CB 3.39Å; R653-D656 PolarHBondContact O-N 3.09Å; R653-D656 VanDerWaalsContact O-N 3.14Å; D656-V675 PolarHBondContact O-N 3.16Å; D656-K731 VanDerWaalsContact CG-CE 3.4Å; D656-K731 IonicContact OD1-NZ 3.43Å; D656-K731 WeakPolarHBondContact OD2-CE 3.45Å; D656-K731 IonicContact OD2-NZ 2.97Å; D656-K731 PolarHBondContact OD2-NZ 3.01Å; D656-H774 WeakPolarHBondContact OD1-CB 3.5Å | ||
| 657 | T | 95 | Very high | 84.7 | Confident | 10 Ų | 10 | 70.6 Ų | 70.6 | 6% | 0.061 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 143.7 | 172.9 | 36 | 0 | 0 | 0 | 0 | 111.8 | A673 K674 Y694 C732 V734 | T657-A673 CarbonylContact C-O 3.18Å; T657-A673 VanDerWaalsContact CA-O 3.28Å; T657-A673 WeakPolarHBondContact CA-O 3.49Å; T657-K674 HydrophobicContact CG2-CB 3.93Å; T657-K674 HydrophobicContact CG2-CD 4.22Å; T657-K674 HydrophobicContact CG2-CG 3.78Å; T657-Y694 HydrophobicContact CG2-CE2 3.78Å; T657-C732 CarbonylContact C-O 3.47Å; T657-C732 VanDerWaalsContact C-SG 3.57Å; T657-C732 WeakPolarHBondContact CB-O 3.03Å; T657-C732 PolarHBondContact O-N 3.47Å; T657-C732 PolarHBondContact OG1-O 2.94Å; T657-V734 HydrophobicContact CG2-CB 4.12Å; T657-V734 HydrophobicContact CG2-CG2 3.75Å; T657-V734 PolarHBondContact OG1-N 3.34Å |
| 658 | V | 95.8 | Very high | 83.7 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 146.3 | -169.4 | -63.6 | 0 | 0 | 0 | 0 | 112.5 | I652 L660 V672 A673 V675 I728 C732 | I652-V658 HydrophobicContact CD1-CG1 3.86Å; I652-V658 HydrophobicContact CG1-CG1 4.48Å; I652-V658 HydrophobicContact CG2-CG1 3.68Å; V658-L660 HydrophobicContact CG2-CD1 4.26Å; V658-L660 HydrophobicContact CG2-CD2 4.13Å; V658-L660 HydrophobicContact CG2-CG 4.06Å; V658-V672 WeakPolarHBondContact O-CA 3.43Å; V658-A673 HydrophobicContact CG2-CB 4.42Å; V658-A673 PolarHBondContact N-O 3.14Å; V658-A673 PolarHBondContact O-N 3.09Å; V658-A673 VanDerWaalsContact O-N 3.1Å; V658-V675 HydrophobicContact CG1-CG2 3.99Å; V658-V675 HydrophobicContact CG2-CG2 4.17Å; V658-I728 HydrophobicContact CB-CG2 4.41Å; V658-C732 VanDerWaalsContact C-SG 3.58Å |
| 659 | L | 95.3 | Very high | 83.4 | Confident | 19 Ų | 19 | 68.3 Ų | 68.3 | 10% | 0.099 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 131.7 | 166.7 | -62.1 | -174.2 | 0 | 0 | 0 | 109.7 | P670 Y671 V672 E729 D730 C732 L785 | L659-P670 HydrophobicContact CB-CB 4.41Å; L659-P670 HydrophobicContact CD1-CG 4.48Å; L659-P670 HydrophobicContact CD2-CB 4.5Å; L659-P670 HydrophobicContact CD2-CG 4.48Å; L659-Y671 WeakPolarHBondContact CA-O 3.48Å; L659-V672 HydrophobicContact CD2-CG2 3.83Å; L659-E729 HydrophobicContact CB-CB 4.43Å; L659-E729 PolarHBondContact O-N 3.15Å; L659-D730 HydrophobicContact CD1-CB 4.45Å; L659-D730 PolarHBondContact N-O 2.9Å; L659-C732 HydrophobicContact CD2-CB 4.05Å; L659-C732 HydrophobicContact CG-CB 3.98Å; L659-L785 HydrophobicContact CD1-CD2 3.69Å |
| 660 | L | 94.3 | Very high | 83.6 | Confident | 4 Ų | 4 | 67.6 Ų | 67.6 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 133.1 | -173.8 | -66.5 | 168.5 | 0 | 0 | 0 | 110.6 | V658 S662 Y671 A673 M689 L691 W693 C727 I728 | V658-L660 HydrophobicContact CG2-CD1 4.26Å; V658-L660 HydrophobicContact CG2-CD2 4.13Å; V658-L660 HydrophobicContact CG2-CG 4.06Å; L660-S662 PolarHBondContact O-N 2.95Å; L660-Y671 PolarHBondContact N-O 3.38Å; L660-Y671 PolarHBondContact O-N 2.97Å; L660-A673 HydrophobicContact CD1-CB 3.66Å; L660-M689 HydrophobicContact CD2-CE 3.38Å; L660-M689 HydrophobicContact CD2-SD 4.43Å; L660-L691 HydrophobicContact CD1-CD1 3.6Å; L660-W693 HydrophobicContact CD1-CH2 3.63Å; L660-W693 HydrophobicContact CD1-CZ3 3.52Å; L660-C727 WeakPolarHBondContact CA-O 3.37Å; L660-C727 HydrophobicContact CD2-CB 4.25Å; L660-I728 HydrophobicContact CD2-CB 4.5Å; L660-I728 HydrophobicContact CD2-CG1 3.88Å |
| 661 | K | 88.8 | Confident | 83.7 | Confident | 89 Ų | 89 | 67.4 Ų | 67.4 | 39% | 0.387 | 33% | 0.331 | S | S | . | . | trans | -50.1 | 109.3 | 178.3 | -74 | 176 | -174.4 | 156.2 | 0 | 109.9 | N615 A726 C727 E729 | N615-K661 PolarHBondContact ND2-NZ 2.99Å; K661-A726 PolarHBondContact NZ-O 3.04Å; K661-C727 WeakPolarHBondContact CG-O 3.45Å; K661-C727 PolarHBondContact N-O 3.24Å; K661-E729 HydrophobicContact CB-CG 4.25Å; K661-E729 HydrophobicContact CD-CG 4.39Å; K661-E729 HydrophobicContact CG-CG 3.31Å; K661-E729 WeakPolarHBondContact CG-OE1 3.47Å | ||
| 662 | S | 74.3 | Confident | 83.8 | Confident | 22 Ų | 22 | 64.8 Ų | 64.8 | 15% | 0.154 | 32% | 0.319 | C | S | . | . | trans | -61.6 | 150.4 | 161.5 | -60.4 | 0 | 0 | 0 | 0 | 109 | L660 S668 L669 Y671 | L660-S662 PolarHBondContact O-N 2.95Å; S662-S668 VanDerWaalsContact CB-OG 3.24Å; S662-S668 WeakPolarHBondContact CB-OG 3.33Å; S662-L669 PolarHBondContact OG-O 3.46Å; S662-Y671 WeakPolarHBondContact OG-CD2 3.45Å; S662-Y671 WeakPolarHBondContact OG-CE2 3.33Å | ||
| 663 | G | 68.6 | Low | 83.8 | Confident | 45 Ų | 45 | 64.8 Ų | 64.8 | 46% | 0.464 | 32% | 0.319 | S | S | . | . | trans | -59.9 | -179.6 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R665 | G663-R665 CarbonylContact O-C 3.45Å; G663-R665 PolarHBondContact O-N 3.2Å | ||
| 664 | P | 63.3 | Low | 83.9 | Confident | 137 Ų | 137 | 59.5 Ų | 59.5 | 89% | 0.89 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -57.2 | -6.8 | -171.3 | 21 | -33.4 | 0 | 0 | 0 | 116.5 | K666 | P664-K666 PolarHBondContact O-N 2.71Å; P664-K666 VanDerWaalsContact O-N 3.08Å |
| 665 | R | 61.4 | Low | 84 | Confident | 153 Ų | 153 | 57.5 Ų | 57.5 | 58% | 0.577 | 29% | 0.287 | S | S | * | . | trans | -70.1 | 87.8 | 164.3 | -59.4 | -176.7 | -171.9 | 169.4 | 8.1 | 110.6 | E559 G663 K667 S668 | E559-R665 IonicContact OE1-CZ 3.69Å; E559-R665 IonicContact OE1-NH1 2.63Å; E559-R665 PolarHBondContact OE1-NH1 3.14Å; E559-R665 VanDerWaalsContact OE1-NH1 3.12Å; E559-R665 IonicContact OE1-NH2 3.84Å; E559-R665 PolarHBondContact OE1-NH2 3.2Å; E559-R665 IonicContact OE2-CZ 3.36Å; E559-R665 IonicContact OE2-NH1 3.81Å; E559-R665 PolarHBondContact OE2-NH1 3.06Å; E559-R665 IonicContact OE2-NH2 2.7Å; G663-R665 CarbonylContact O-C 3.45Å; G663-R665 PolarHBondContact O-N 3.2Å; R665-K667 PolarHBondContact O-N 2.94Å; R665-S668 PolarHBondContact O-N 3.03Å; R665-S668 PolarHBondContact O-OG 2.82Å | ||
| 666 | K | 57 | Low | 84 | Confident | 209 Ų | 209 | 54.5 Ų | 54.5 | 91% | 0.909 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 22 | 177.3 | -56.8 | -173.5 | 177.8 | -174.7 | 0 | 117.4 | P664 | P664-K666 PolarHBondContact O-N 2.71Å; P664-K666 VanDerWaalsContact O-N 3.08Å |
| 667 | K | 60.1 | Low | 84.1 | Confident | 210 Ų | 210 | 54.4 Ų | 54.4 | 91% | 0.913 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.4 | -2.7 | -179.1 | -66.5 | -168.9 | 175.9 | -171.5 | 0 | 113.7 | R665 | R665-K667 PolarHBondContact O-N 2.94Š|
| 668 | S | 73.5 | Confident | 84.2 | Confident | 49 Ų | 49 | 54 Ų | 54 | 34% | 0.343 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -89.5 | 133.9 | 177.4 | 42.2 | 0 | 0 | 0 | 0 | 110 | S662 R665 | S662-S668 VanDerWaalsContact CB-OG 3.24Å; S662-S668 WeakPolarHBondContact CB-OG 3.33Å; R665-S668 PolarHBondContact O-N 3.03Å; R665-S668 PolarHBondContact O-OG 2.82Å |
| 669 | L | 84.1 | Confident | 84.2 | Confident | 72 Ų | 72 | 54.1 Ų | 54.1 | 38% | 0.377 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 148.6 | 175.9 | -65.4 | 170.1 | 0 | 0 | 0 | 110.2 | S662 Y671 E698 | S662-L669 PolarHBondContact OG-O 3.46Å; L669-Y671 PolarHBondContact O-N 2.87Å; L669-E698 HydrophobicContact CD1-CB 4.24Å; L669-E698 HydrophobicContact CD1-CG 3.93Å; L669-E698 WeakPolarHBondContact CD1-OE1 3.17Å |
| 670 | P | 90.6 | Very high | 84.2 | Confident | 34 Ų | 34 | 55.8 Ų | 55.8 | 22% | 0.221 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 137.5 | 178.5 | 25.7 | -34 | 0 | 0 | 0 | 110.7 | L659 R696 | L659-P670 HydrophobicContact CB-CB 4.41Å; L659-P670 HydrophobicContact CD1-CG 4.48Å; L659-P670 HydrophobicContact CD2-CB 4.5Å; L659-P670 HydrophobicContact CD2-CG 4.48Å; P670-R696 PolarHBondContact O-NE 2.83Å |
| 671 | Y | 93.8 | Very high | 84.2 | Confident | 57 Ų | 57 | 58 Ų | 58 | 22% | 0.224 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 154.4 | 172.5 | -63.1 | -81.1 | 0 | 0 | 0 | 110.4 | P561 L659 L660 S662 L669 W693 H699 | P561-Y671 HydrophobicContact CG-CE1 4.21Å; L659-Y671 WeakPolarHBondContact CA-O 3.48Å; L660-Y671 PolarHBondContact N-O 3.38Å; L660-Y671 PolarHBondContact O-N 2.97Å; S662-Y671 WeakPolarHBondContact OG-CD2 3.45Å; S662-Y671 WeakPolarHBondContact OG-CE2 3.33Å; L669-Y671 PolarHBondContact O-N 2.87Å; Y671-W693 VanDerWaalsContact CB-CZ3 3.5Å; Y671-W693 HydrophobicContact CG-CZ3 4.21Å; Y671-H699 AromaticContact CD1-CE1 3.8Å; Y671-H699 AromaticContact CD1-ND1 3.62Å; Y671-H699 AromaticContact CE1-CE1 3.89Å; Y671-H699 AromaticContact CE1-ND1 3.7Å |
| 672 | V | 95.7 | Very high | 84.4 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 130.7 | -174.4 | -173.6 | 0 | 0 | 0 | 0 | 108.6 | V658 L659 Y694 I714 V734 L787 | V658-V672 WeakPolarHBondContact O-CA 3.43Å; L659-V672 HydrophobicContact CD2-CG2 3.83Å; V672-Y694 HydrophobicContact CG1-CD2 4.07Å; V672-Y694 HydrophobicContact CG1-CG 4.42Å; V672-Y694 PolarHBondContact O-N 2.79Å; V672-I714 HydrophobicContact CB-CD1 4.42Å; V672-I714 HydrophobicContact CG1-CD1 3.86Å; V672-V734 HydrophobicContact CG1-CG2 4.15Å; V672-L787 HydrophobicContact CG1-CD1 4.08Å; V672-L787 HydrophobicContact CG2-CD1 3.78Å |
| 673 | A | 95.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 158.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T657 V658 L660 L691 F692 W693 | T657-A673 CarbonylContact C-O 3.18Å; T657-A673 VanDerWaalsContact CA-O 3.28Å; T657-A673 WeakPolarHBondContact CA-O 3.49Å; V658-A673 HydrophobicContact CG2-CB 4.42Å; V658-A673 PolarHBondContact N-O 3.14Å; V658-A673 PolarHBondContact O-N 3.09Å; V658-A673 VanDerWaalsContact O-N 3.1Å; L660-A673 HydrophobicContact CD1-CB 3.66Å; A673-L691 HydrophobicContact CB-CB 4.26Å; A673-L691 HydrophobicContact CB-CD1 4.08Å; A673-L691 HydrophobicContact CB-CD2 3.96Å; A673-L691 HydrophobicContact CB-CG 4.34Å; A673-F692 CarbonylContact C-O 3.59Å; A673-F692 VanDerWaalsContact CA-O 3.3Å; A673-F692 WeakPolarHBondContact CA-O 3.3Å; A673-W693 HydrophobicContact CB-CE3 3.91Å; A673-W693 HydrophobicContact CB-CZ3 4.14Å |
| 674 | K | 95.1 | Very high | 86 | Confident | 10 Ų | 10 | 66 Ų | 66 | 4% | 0.043 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 132.1 | 170.2 | -155.4 | 163.9 | -160.7 | -178.3 | 0 | 110.6 | N154 L158 R655 T657 L691 F692 Y694 | N154-K674 PolarHBondContact O-NZ 2.8Å; L158-K674 HydrophobicContact CD1-CD 3.92Å; L158-K674 HydrophobicContact CG-CD 4.4Å; R655-K674 WeakPolarHBondContact O-CE 3.37Å; T657-K674 HydrophobicContact CG2-CB 3.93Å; T657-K674 HydrophobicContact CG2-CD 4.22Å; T657-K674 HydrophobicContact CG2-CG 3.78Å; K674-L691 WeakPolarHBondContact O-CA 3.28Å; K674-F692 PolarHBondContact N-O 3.13Å; K674-F692 PolarHBondContact O-N 2.69Å; K674-Y694 HydrophobicContact CB-CE2 4.02Å |
| 675 | V | 95.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 120.4 | 178.8 | -178 | 0 | 0 | 0 | 0 | 110 | I652 R655 D656 V658 L678 L691 | I652-V675 HydrophobicContact CG2-CG2 4.31Å; R655-V675 WeakPolarHBondContact CA-O 3.48Å; R655-V675 PolarHBondContact N-O 2.9Å; D656-V675 PolarHBondContact O-N 3.16Å; V658-V675 HydrophobicContact CG1-CG2 3.99Å; V658-V675 HydrophobicContact CG2-CG2 4.17Å; V675-L678 HydrophobicContact CG1-CD1 4.25Å; V675-L678 HydrophobicContact CG1-CD2 3.9Å; V675-L678 HydrophobicContact CG1-CG 3.73Å; V675-L691 HydrophobicContact CG2-CD2 4.16Å |
| 676 | S | 93.7 | Very high | 88.8 | Confident | 16 Ų | 16 | 55.3 Ų | 55.3 | 11% | 0.112 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | -24.9 | 176.8 | 60.7 | 0 | 0 | 0 | 0 | 113.6 | V654 S690 | V654-S676 WeakPolarHBondContact CG1-O 3.4Å; S676-S690 PolarHBondContact N-O 3.4Å; S676-S690 VanDerWaalsContact OG-C 3.27Å; S676-S690 PolarHBondContact OG-O 3.44Å |
| 677 | A | 94.9 | Very high | 90.6 | Very high | 5 Ų | 5 | 46.1 Ų | 46.1 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 155.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V628 M689 S690 | V628-A677 HydrophobicContact CB-CB 4.19Å; V628-A677 HydrophobicContact CG1-CB 3.52Å; A677-M689 CarbonylContact O-C 3.51Å; A677-M689 VanDerWaalsContact O-CA 3.27Å; A677-M689 WeakPolarHBondContact O-CA 3.22Å; A677-S690 PolarHBondContact N-O 3.08Å; A677-S690 PolarHBondContact O-N 2.61Å |
| 678 | L | 96.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 124.3 | 171 | -68 | 163.5 | 0 | 0 | 0 | 107.1 | C641 F642 G644 I645 V654 V675 M689 V725 | C641-L678 CarbonylContact C-O 3.56Å; C641-L678 WeakPolarHBondContact CA-O 3.14Å; F642-L678 PolarHBondContact N-O 2.85Å; G644-L678 VanDerWaalsContact CA-CD1 3.5Å; I645-L678 HydrophobicContact CD1-CD2 4.1Å; I645-L678 HydrophobicContact CG1-CD1 4.35Å; I645-L678 HydrophobicContact CG1-CD2 4.36Å; I645-L678 HydrophobicContact CG2-CD1 4.34Å; I645-L678 HydrophobicContact CG2-CD2 4.25Å; V654-L678 HydrophobicContact CG2-CB 4.44Å; V654-L678 HydrophobicContact CG2-CD1 4.05Å; V654-L678 HydrophobicContact CG2-CG 4.18Å; V675-L678 HydrophobicContact CG1-CD1 4.25Å; V675-L678 HydrophobicContact CG1-CD2 3.9Å; V675-L678 HydrophobicContact CG1-CG 3.73Å; L678-M689 HydrophobicContact CD2-CB 3.86Å; L678-V725 HydrophobicContact CD2-CG1 4.19Å |
| 679 | W | 96.5 | Very high | 93.4 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 160.9 | -170.2 | 52.7 | -90.4 | 0 | 0 | 0 | 114.2 | V628 V630 R639 K640 E681 M688 S690 V722 | V628-W679 HydrophobicContact CG1-CG 4.38Å; V628-W679 HydrophobicContact CG2-CD2 4.17Å; V628-W679 HydrophobicContact CG2-CG 4.08Å; V630-W679 HydrophobicContact CG2-CH2 4.34Å; V630-W679 HydrophobicContact CG2-CZ2 4.25Å; R639-W679 HydrophobicContact CB-CB 4.19Å; R639-W679 HydrophobicContact CB-CE3 4.46Å; R639-W679 HydrophobicContact CB-CG 4.48Å; R639-W679 HydrophobicContact CG-CE3 4.33Å; R639-W679 VanDerWaalsContact NH1-CZ3 3.29Å; K640-W679 CarbonylContact O-C 3.57Å; K640-W679 WeakPolarHBondContact O-CA 3.35Å; K640-W679 WeakPolarHBondContact O-CB 3.3Å; W679-E681 HydrophobicContact CE3-CB 4.44Å; W679-E681 HydrophobicContact CZ3-CB 3.86Å; W679-E681 HydrophobicContact CZ3-CG 4.31Å; W679-M688 HydrophobicContact CD2-CB 3.86Å; W679-M688 HydrophobicContact CE3-CB 3.85Å; W679-M688 HydrophobicContact CE3-CG 4.28Å; W679-M688 HydrophobicContact CH2-CB 3.84Å; W679-M688 HydrophobicContact CH2-CG 4.07Å; W679-M688 HydrophobicContact CZ2-CB 3.87Å; W679-M688 HydrophobicContact CZ3-CB 3.82Å; W679-M688 HydrophobicContact CZ3-CG 3.9Å; W679-M688 PolarHBondContact N-O 2.93Å; W679-M688 PolarHBondContact O-N 3.28Å; W679-S690 PolarHBondContact NE1-OG 3.16Å; W679-V722 HydrophobicContact CH2-CG1 4.13Å; W679-V722 HydrophobicContact CZ2-CG1 3.67Å; W679-V722 HydrophobicContact CZ2-CG2 4.08Å |
| 680 | E | 95.9 | Very high | 93.9 | Very high | 55 Ų | 55 | 31.4 Ų | 31.4 | 26% | 0.257 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 127.2 | 176.2 | -164.1 | 171.1 | 115.9 | 0 | 0 | 110.3 | K640 F642 E686 | K640-E680 HydrophobicContact CB-CB 4.35Å; K640-E680 HydrophobicContact CD-CB 4.11Å; K640-E680 WeakPolarHBondContact CE-OE2 3.29Å; K640-E680 HydrophobicContact CG-CB 4.48Å; K640-E680 IonicContact NZ-OE1 2.61Å; K640-E680 PolarHBondContact NZ-OE1 2.89Å; K640-E680 IonicContact NZ-OE2 2.91Å; K640-E680 PolarHBondContact NZ-OE2 2.87Å; K640-E680 PolarHBondContact O-N 3.19Å; F642-E680 HydrophobicContact CE2-CB 4.04Å; F642-E680 HydrophobicContact CZ-CB 4.35Å; E680-E686 WeakPolarHBondContact CA-O 3.45Å |
| 681 | E | 94.4 | Very high | 94.1 | Very high | 51 Ų | 51 | 29.8 Ų | 29.8 | 24% | 0.238 | 16% | 0.163 | C | C | . | . | trans | -77.2 | 122.5 | 176.8 | -179 | 172.8 | -96.6 | 0 | 0 | 110.7 | W679 E683 S684 G685 E686 M688 | W679-E681 HydrophobicContact CE3-CB 4.44Å; W679-E681 HydrophobicContact CZ3-CB 3.86Å; W679-E681 HydrophobicContact CZ3-CG 4.31Å; E681-E683 VanDerWaalsContact C-N 3.31Å; E681-E683 PolarHBondContact O-N 3.2Å; E681-S684 WeakPolarHBondContact CB-OG 3.38Å; E681-S684 WeakPolarHBondContact CG-OG 3.5Å; E681-S684 PolarHBondContact O-N 2.87Å; E681-S684 WeakPolarHBondContact OE2-CB 3.34Å; E681-S684 PolarHBondContact OE2-OG 3.1Å; E681-G685 WeakPolarHBondContact O-CA 3.3Å; E681-G685 PolarHBondContact O-N 3.04Å; E681-E686 PolarHBondContact N-O 3.37Å; E681-M688 HydrophobicContact CB-CG 3.94Å | ||
| 682 | P | 91.5 | Very high | 94.2 | Very high | 96 Ų | 96 | 28 Ų | 28 | 62% | 0.623 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -24 | -166.4 | 26.7 | -35.4 | 0 | 0 | 0 | 114.2 | ||
| 683 | E | 89 | Confident | 94.1 | Very high | 189 Ų | 189 | 29.5 Ų | 29.5 | 88% | 0.883 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -30.4 | 179 | -61.6 | -173.2 | -179 | 0 | 0 | 113.2 | E681 | E681-E683 VanDerWaalsContact C-N 3.31Å; E681-E683 PolarHBondContact O-N 3.2Å |
| 684 | S | 89.1 | Confident | 94.1 | Very high | 39 Ų | 39 | 29.7 Ų | 29.7 | 27% | 0.273 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | -22.4 | -167.1 | 65.7 | 0 | 0 | 0 | 0 | 114.1 | E681 E686 | E681-S684 WeakPolarHBondContact CB-OG 3.38Å; E681-S684 WeakPolarHBondContact CG-OG 3.5Å; E681-S684 PolarHBondContact O-N 2.87Å; E681-S684 WeakPolarHBondContact OE2-CB 3.34Å; E681-S684 PolarHBondContact OE2-OG 3.1Å; S684-E686 WeakPolarHBondContact CB-OE1 3.31Å; S684-E686 PolarHBondContact O-N 2.89Å; S684-E686 WeakPolarHBondContact OG-CB 3.37Å; S684-E686 WeakPolarHBondContact OG-CG 3.43Å; S684-E686 PolarHBondContact OG-N 3.43Å; S684-E686 VanDerWaalsContact OG-N 3.15Å; S684-E686 PolarHBondContact OG-OE1 3.42Å |
| 685 | G | 90.2 | Very high | 94 | Very high | 37 Ų | 37 | 30.7 Ų | 30.7 | 38% | 0.381 | 17% | 0.166 | S | C | . | . | trans | 69.2 | 15.6 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | E681 | E681-G685 WeakPolarHBondContact O-CA 3.3Å; E681-G685 PolarHBondContact O-N 3.04Å | ||
| 686 | E | 92.8 | Very high | 93.9 | Very high | 27 Ų | 27 | 32 Ų | 32 | 13% | 0.126 | 17% | 0.171 | C | C | . | . | trans | -78.6 | 143.5 | 179.5 | -70.9 | 177.2 | -104.4 | 0 | 0 | 112.2 | K612 E680 E681 S684 M688 | K612-E686 HydrophobicContact CB-CG 4.5Å; K612-E686 HydrophobicContact CD-CG 4.27Å; K612-E686 WeakPolarHBondContact CD-OE1 3.21Å; K612-E686 WeakPolarHBondContact CD-OE2 3.41Å; K612-E686 WeakPolarHBondContact CE-OE1 3.24Å; K612-E686 IonicContact NZ-OE1 3.24Å; K612-E686 PolarHBondContact NZ-OE1 3.32Å; K612-E686 IonicContact NZ-OE2 2.67Å; E680-E686 WeakPolarHBondContact CA-O 3.45Å; E681-E686 PolarHBondContact N-O 3.37Å; S684-E686 WeakPolarHBondContact CB-OE1 3.31Å; S684-E686 PolarHBondContact O-N 2.89Å; S684-E686 WeakPolarHBondContact OG-CB 3.37Å; S684-E686 WeakPolarHBondContact OG-CG 3.43Å; S684-E686 PolarHBondContact OG-N 3.43Å; S684-E686 VanDerWaalsContact OG-N 3.15Å; S684-E686 PolarHBondContact OG-OE1 3.42Å; E686-M688 HydrophobicContact CB-SD 4.34Å; E686-M688 PolarHBondContact O-N 3.02Å | ||
| 687 | L | 95.1 | Very high | 93.9 | Very high | 16 Ų | 16 | 31.2 Ų | 31.2 | 8% | 0.084 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 117.6 | 170.6 | -70.6 | 177.6 | 0 | 0 | 0 | 110.1 | T614 F642 I645 V725 | T614-L687 HydrophobicContact CG2-CB 4.27Å; T614-L687 HydrophobicContact CG2-CD1 4.45Å; T614-L687 HydrophobicContact CG2-CG 4.48Å; F642-L687 HydrophobicContact CD2-CD2 3.94Å; F642-L687 HydrophobicContact CE2-CD2 3.45Å; F642-L687 VanDerWaalsContact CE2-CD2 3.45Å; F642-L687 HydrophobicContact CZ-CD2 4.23Å; I645-L687 HydrophobicContact CG2-CD1 4.44Å; L687-V725 HydrophobicContact CB-CG1 4.17Å; L687-V725 HydrophobicContact CB-CG2 3.56Å; L687-V725 WeakPolarHBondContact O-CG2 3.42Å; L687-V725 PolarHBondContact O-N 3.04Å; L687-V725 VanDerWaalsContact O-N 3.08Å |
| 688 | M | 95.9 | Very high | 93.7 | Very high | 22 Ų | 22 | 34.5 Ų | 34.5 | 11% | 0.108 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 159.9 | -179.4 | -57.8 | -58.7 | -78.8 | 0 | 0 | 110.2 | W679 E681 E686 V722 S723 S724 | W679-M688 HydrophobicContact CD2-CB 3.86Å; W679-M688 HydrophobicContact CE3-CB 3.85Å; W679-M688 HydrophobicContact CE3-CG 4.28Å; W679-M688 HydrophobicContact CH2-CB 3.84Å; W679-M688 HydrophobicContact CH2-CG 4.07Å; W679-M688 HydrophobicContact CZ2-CB 3.87Å; W679-M688 HydrophobicContact CZ3-CB 3.82Å; W679-M688 HydrophobicContact CZ3-CG 3.9Å; W679-M688 PolarHBondContact N-O 2.93Å; W679-M688 PolarHBondContact O-N 3.28Å; E681-M688 HydrophobicContact CB-CG 3.94Å; E686-M688 HydrophobicContact CB-SD 4.34Å; E686-M688 PolarHBondContact O-N 3.02Å; M688-V722 HydrophobicContact CE-CG1 3.78Å; M688-S723 CarbonylContact C-O 3.53Å; M688-S723 WeakPolarHBondContact CA-O 3.26Å; M688-S724 VanDerWaalsContact SD-CA 3.6Å |
| 689 | M | 95.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 134.5 | 174.8 | 56.9 | -171.2 | 164.8 | 0 | 0 | 110 | L660 A677 L678 L691 V722 S723 S724 V725 I728 | L660-M689 HydrophobicContact CD2-CE 3.38Å; L660-M689 HydrophobicContact CD2-SD 4.43Å; A677-M689 CarbonylContact O-C 3.51Å; A677-M689 VanDerWaalsContact O-CA 3.27Å; A677-M689 WeakPolarHBondContact O-CA 3.22Å; L678-M689 HydrophobicContact CD2-CB 3.86Å; M689-L691 HydrophobicContact CB-CD2 4.36Å; M689-L691 HydrophobicContact CE-CD1 4.19Å; M689-L691 HydrophobicContact CG-CD1 4.2Å; M689-L691 HydrophobicContact CG-CD2 3.93Å; M689-L691 HydrophobicContact CG-CG 3.96Å; M689-L691 HydrophobicContact SD-CD1 4.34Å; M689-L691 HydrophobicContact SD-CD2 3.89Å; M689-L691 HydrophobicContact SD-CG 4.38Å; M689-V722 WeakPolarHBondContact O-CA 3.31Å; M689-S723 VanDerWaalsContact CG-O 3.32Å; M689-S723 WeakPolarHBondContact CG-O 3.47Å; M689-S723 PolarHBondContact N-O 2.98Å; M689-S723 PolarHBondContact O-N 2.84Å; M689-S724 WeakPolarHBondContact CE-O 3.36Å; M689-V725 HydrophobicContact CB-CG1 4.35Å; M689-V725 HydrophobicContact CG-CG1 4.44Å; M689-V725 HydrophobicContact SD-CG1 4.42Å; M689-I728 HydrophobicContact CE-CD1 4.29Å; M689-I728 HydrophobicContact CE-CG1 3.78Å; M689-I728 HydrophobicContact SD-CD1 3.84Å; M689-I728 HydrophobicContact SD-CG1 3.93Å |
| 690 | S | 95.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.007 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 137.3 | 164.6 | -54.1 | 0 | 0 | 0 | 0 | 108.4 | F629 S676 A677 W679 D721 | F629-S690 PolarHBondContact O-OG 3.27Å; S676-S690 PolarHBondContact N-O 3.4Å; S676-S690 VanDerWaalsContact OG-C 3.27Å; S676-S690 PolarHBondContact OG-O 3.44Å; A677-S690 PolarHBondContact N-O 3.08Å; A677-S690 PolarHBondContact O-N 2.61Å; W679-S690 PolarHBondContact NE1-OG 3.16Å; S690-D721 WeakPolarHBondContact CA-O 3.39Å |
| 691 | L | 94.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 158.7 | -166 | -68 | 178.7 | 0 | 0 | 0 | 112.5 | L660 A673 K674 V675 M689 Q720 D721 | L660-L691 HydrophobicContact CD1-CD1 3.6Å; A673-L691 HydrophobicContact CB-CB 4.26Å; A673-L691 HydrophobicContact CB-CD1 4.08Å; A673-L691 HydrophobicContact CB-CD2 3.96Å; A673-L691 HydrophobicContact CB-CG 4.34Å; K674-L691 WeakPolarHBondContact O-CA 3.28Å; V675-L691 HydrophobicContact CG2-CD2 4.16Å; M689-L691 HydrophobicContact CB-CD2 4.36Å; M689-L691 HydrophobicContact CE-CD1 4.19Å; M689-L691 HydrophobicContact CG-CD1 4.2Å; M689-L691 HydrophobicContact CG-CD2 3.93Å; M689-L691 HydrophobicContact CG-CG 3.96Å; M689-L691 HydrophobicContact SD-CD1 4.34Å; M689-L691 HydrophobicContact SD-CD2 3.89Å; M689-L691 HydrophobicContact SD-CG 4.38Å; L691-Q720 WeakPolarHBondContact O-CA 3.47Å; L691-D721 PolarHBondContact N-O 2.97Å; L691-D721 PolarHBondContact O-N 3.07Å |
| 692 | F | 94.4 | Very high | 91.7 | Very high | 20 Ų | 20 | 43.9 Ų | 43.9 | 9% | 0.088 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 128.6 | 158.5 | -65.9 | -77.3 | 0 | 0 | 0 | 110.6 | L157 A673 K674 H719 Q720 | L157-F692 HydrophobicContact CB-CD2 3.84Å; L157-F692 HydrophobicContact CB-CE2 4.03Å; L157-F692 HydrophobicContact CB-CG 4.21Å; L157-F692 HydrophobicContact CD1-CB 3.9Å; L157-F692 HydrophobicContact CD1-CG 4.18Å; L157-F692 HydrophobicContact CD2-CB 4.19Å; L157-F692 HydrophobicContact CD2-CD1 3.51Å; L157-F692 HydrophobicContact CD2-CD2 4.12Å; L157-F692 HydrophobicContact CD2-CE1 3.71Å; L157-F692 HydrophobicContact CD2-CE2 4.33Å; L157-F692 HydrophobicContact CD2-CG 3.69Å; L157-F692 HydrophobicContact CD2-CZ 4.13Å; L157-F692 HydrophobicContact CG-CB 4.47Å; L157-F692 HydrophobicContact CG-CD2 4.36Å; L157-F692 HydrophobicContact CG-CG 4.22Å; L157-F692 WeakPolarHBondContact O-CE2 3.3Å; A673-F692 CarbonylContact C-O 3.59Å; A673-F692 VanDerWaalsContact CA-O 3.3Å; A673-F692 WeakPolarHBondContact CA-O 3.3Å; K674-F692 PolarHBondContact N-O 3.13Å; K674-F692 PolarHBondContact O-N 2.69Å; F692-H719 WeakPolarHBondContact CA-O 2.83Å; F692-Q720 HydrophobicContact CD1-CB 3.75Å; F692-Q720 HydrophobicContact CD1-CG 3.8Å; F692-Q720 HydrophobicContact CE1-CB 3.51Å; F692-Q720 HydrophobicContact CE1-CG 3.35Å; F692-Q720 HydrophobicContact CZ-CB 4.41Å; F692-Q720 HydrophobicContact CZ-CG 3.79Å |
| 693 | W | 94.9 | Very high | 91.4 | Very high | 31 Ų | 31 | 40.5 Ų | 40.5 | 12% | 0.117 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 140.1 | -173.7 | -68.7 | 105.1 | 0 | 0 | 0 | 114.1 | L660 Y671 A673 Y695 S717 H719 D721 | L660-W693 HydrophobicContact CD1-CH2 3.63Å; L660-W693 HydrophobicContact CD1-CZ3 3.52Å; Y671-W693 VanDerWaalsContact CB-CZ3 3.5Å; Y671-W693 HydrophobicContact CG-CZ3 4.21Å; A673-W693 HydrophobicContact CB-CE3 3.91Å; A673-W693 HydrophobicContact CB-CZ3 4.14Å; W693-Y695 HydrophobicContact CB-CE2 3.95Å; W693-S717 VanDerWaalsContact O-CB 3.31Å; W693-S717 WeakPolarHBondContact O-CB 3.31Å; W693-S717 PolarHBondContact O-N 2.86Å; W693-S717 VanDerWaalsContact O-N 3.16Å; W693-H719 HydrophobicContact CB-CB 4.26Å; W693-H719 AromaticContact CD1-CE1 3.6Å; W693-H719 AromaticContact CD1-CG 3.58Å; W693-H719 AromaticContact CD1-ND1 3.1Å; W693-H719 AromaticContact CG-ND1 3.84Å; W693-H719 PolarHBondContact N-O 3.32Å; W693-H719 AromaticContact NE1-CE1 3.73Å; W693-H719 AromaticContact NE1-ND1 3.7Å; W693-D721 PolarHBondContact NE1-OD2 2.9Å |
| 694 | Y | 94.9 | Very high | 91.5 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.016 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 141.8 | 158.2 | -67.7 | -85 | 0 | 0 | 0 | 110.2 | N154 T657 V672 K674 I714 F715 A716 V734 C789 | N154-Y694 VanDerWaalsContact OD1-CE1 3.22Å; N154-Y694 WeakPolarHBondContact OD1-CE1 3.36Å; N154-Y694 PolarHBondContact OD1-OH 2.99Å; T657-Y694 HydrophobicContact CG2-CE2 3.78Å; V672-Y694 HydrophobicContact CG1-CD2 4.07Å; V672-Y694 HydrophobicContact CG1-CG 4.42Å; V672-Y694 PolarHBondContact O-N 2.79Å; K674-Y694 HydrophobicContact CB-CE2 4.02Å; Y694-I714 HydrophobicContact CD1-CD1 3.78Å; Y694-I714 HydrophobicContact CD1-CG1 4.01Å; Y694-I714 HydrophobicContact CD2-CD1 4.3Å; Y694-I714 HydrophobicContact CG-CD1 3.67Å; Y694-I714 HydrophobicContact CG-CG1 4.31Å; Y694-F715 CarbonylContact C-O 3.49Å; Y694-F715 VanDerWaalsContact CA-O 3.31Å; Y694-F715 WeakPolarHBondContact CA-O 3.45Å; Y694-A716 HydrophobicContact CD1-CB 4.09Å; Y694-A716 HydrophobicContact CE1-CB 3.73Å; Y694-V734 HydrophobicContact CD1-CG1 4.3Å; Y694-V734 HydrophobicContact CD2-CG2 4.33Å; Y694-V734 HydrophobicContact CE1-CG1 3.76Å; Y694-V734 HydrophobicContact CE2-CB 4.39Å; Y694-V734 HydrophobicContact CE2-CG1 4.34Å; Y694-V734 HydrophobicContact CE2-CG2 4.1Å; Y694-C789 HydrophobicContact CE1-CB 4.46Å |
| 695 | Y | 93.7 | Very high | 91.4 | Very high | 31 Ų | 31 | 36 Ų | 36 | 12% | 0.122 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 122.9 | 177.1 | -71.9 | -102.1 | 0 | 0 | 0 | 109.8 | W693 H699 F715 H719 Y793 F795 | W693-Y695 HydrophobicContact CB-CE2 3.95Å; Y695-H699 HydrophobicContact CD1-CB 4.25Å; Y695-F715 PolarHBondContact N-O 3.1Å; Y695-F715 PolarHBondContact O-N 3.43Å; Y695-H719 HydrophobicContact CE2-CB 4.32Å; Y695-H719 PolarHBondContact OH-ND1 3.04Å; Y695-Y793 AromaticContact CD1-CD1 3.92Å; Y695-Y793 HydrophobicContact CD1-CD1 3.92Å; Y695-Y793 AromaticContact CD1-CE1 3.67Å; Y695-Y793 HydrophobicContact CD1-CE1 3.67Å; Y695-Y793 AromaticContact CD2-CD1 3.59Å; Y695-Y793 HydrophobicContact CD2-CD1 3.59Å; Y695-Y793 HydrophobicContact CD2-CE1 4.17Å; Y695-Y793 HydrophobicContact CE1-CD1 4.27Å; Y695-Y793 AromaticContact CE1-CE1 3.86Å; Y695-Y793 HydrophobicContact CE1-CE1 3.86Å; Y695-Y793 AromaticContact CE2-CD1 3.97Å; Y695-Y793 HydrophobicContact CE2-CD1 3.97Å; Y695-Y793 HydrophobicContact CE2-CE1 4.33Å; Y695-Y793 AromaticContact CG-CD1 3.56Å; Y695-Y793 HydrophobicContact CG-CD1 3.56Å; Y695-Y793 AromaticContact CG-CE1 3.84Å; Y695-Y793 HydrophobicContact CG-CE1 3.84Å; Y695-Y793 HydrophobicContact CG-CG 4.46Å; Y695-F795 HydrophobicContact CE2-CB 4.23Å |
| 696 | R | 93.3 | Very high | 91.2 | Very high | 28 Ų | 28 | 39.6 Ų | 39.6 | 11% | 0.106 | 22% | 0.217 | C | C | . | . | trans | -65.9 | 147.6 | 161.1 | -62.9 | -178 | -179 | -87.1 | -0.7 | 108.3 | P670 E698 H699 I714 | P670-R696 PolarHBondContact O-NE 2.83Å; R696-E698 PolarHBondContact O-N 2.85Å; R696-E698 VanDerWaalsContact O-N 3.15Å; R696-H699 WeakPolarHBondContact O-CA 2.99Å; R696-H699 WeakPolarHBondContact O-CB 3.34Å; R696-H699 PolarHBondContact O-N 3.13Å; R696-I714 HydrophobicContact CG-CG2 3.99Å | ||
| 697 | P | 92.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -50 | -38.7 | 176.1 | -27.7 | 31.7 | 0 | 0 | 0 | 114.3 | H699 T700 G703 R704 H709 E713 F715 | P697-H699 PolarHBondContact O-N 2.76Å; P697-H699 VanDerWaalsContact O-N 3.17Å; P697-T700 WeakPolarHBondContact O-CB 3.32Å; P697-T700 PolarHBondContact O-N 2.81Å; P697-T700 PolarHBondContact O-OG1 2.98Å; P697-G703 CarbonylContact O-C 3.5Å; P697-G703 WeakPolarHBondContact O-CA 3.47Å; P697-R704 HydrophobicContact CB-CB 3.94Å; P697-R704 HydrophobicContact CB-CG 4.28Å; P697-H709 WeakPolarHBondContact CB-ND1 3.34Å; P697-H709 HydrophobicContact CG-CB 4.11Å; P697-E713 WeakPolarHBondContact CD-O 3.36Å; P697-F715 HydrophobicContact CB-CE2 4.04Å; P697-F715 HydrophobicContact CB-CZ 4.18Å; P697-F715 HydrophobicContact CG-CE1 4.45Å; P697-F715 HydrophobicContact CG-CE2 3.9Å; P697-F715 HydrophobicContact CG-CZ 3.74Å |
| 698 | E | 91.5 | Very high | 90.3 | Very high | 73 Ų | 73 | 48.5 Ų | 48.5 | 34% | 0.341 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -58 | -23 | 174.8 | -60.8 | 90.7 | 126 | 0 | 0 | 113.6 | L669 R696 R704 | L669-E698 HydrophobicContact CD1-CB 4.24Å; L669-E698 HydrophobicContact CD1-CG 3.93Å; L669-E698 WeakPolarHBondContact CD1-OE1 3.17Å; R696-E698 PolarHBondContact O-N 2.85Å; R696-E698 VanDerWaalsContact O-N 3.15Å; E698-R704 VanDerWaalsContact CD-NH2 3.26Å; E698-R704 HydrophobicContact CG-CB 4.27Å; E698-R704 IonicContact OE1-CZ 2.89Å; E698-R704 VanDerWaalsContact OE1-CZ 3.24Å; E698-R704 IonicContact OE1-NE 2.92Å; E698-R704 PolarHBondContact OE1-NE 2.63Å; E698-R704 VanDerWaalsContact OE1-NE 3.16Å; E698-R704 IonicContact OE1-NH2 3.24Å; E698-R704 PolarHBondContact OE1-NH2 3.18Å; E698-R704 IonicContact OE2-CZ 3.12Å; E698-R704 VanDerWaalsContact OE2-CZ 3.23Å; E698-R704 IonicContact OE2-NE 2.82Å; E698-R704 PolarHBondContact OE2-NE 3.29Å; E698-R704 IonicContact OE2-NH2 3.23Å; E698-R704 PolarHBondContact OE2-NH2 3.02Å |
| 699 | H | 88.3 | Confident | 89.9 | Confident | 50 Ų | 50 | 49 Ų | 49 | 23% | 0.231 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -98.5 | 7.1 | 178.6 | -55.8 | 173.1 | 0 | 0 | 0 | 112.2 | Y671 Y695 R696 P697 | Y671-H699 AromaticContact CD1-CE1 3.8Å; Y671-H699 AromaticContact CD1-ND1 3.62Å; Y671-H699 AromaticContact CE1-CE1 3.89Å; Y671-H699 AromaticContact CE1-ND1 3.7Å; Y695-H699 HydrophobicContact CD1-CB 4.25Å; R696-H699 WeakPolarHBondContact O-CA 2.99Å; R696-H699 WeakPolarHBondContact O-CB 3.34Å; R696-H699 PolarHBondContact O-N 3.13Å; P697-H699 PolarHBondContact O-N 2.76Å; P697-H699 VanDerWaalsContact O-N 3.17Å |
| 700 | T | 88.1 | Confident | 89.5 | Confident | 19 Ų | 19 | 51.8 Ų | 51.8 | 12% | 0.117 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -104.3 | 157 | 176.5 | 73.5 | 0 | 0 | 0 | 0 | 112 | P697 G702 G703 F715 Y793 | P697-T700 WeakPolarHBondContact O-CB 3.32Å; P697-T700 PolarHBondContact O-N 2.81Å; P697-T700 PolarHBondContact O-OG1 2.98Å; T700-G702 PolarHBondContact O-N 3Å; T700-G703 PolarHBondContact O-N 2.71Å; T700-G703 PolarHBondContact OG1-N 3.17Å; T700-F715 HydrophobicContact CG2-CD2 3.72Å; T700-F715 HydrophobicContact CG2-CE2 3.85Å; T700-Y793 HydrophobicContact CG2-CD2 3.88Å; T700-Y793 HydrophobicContact CG2-CE1 4.3Å; T700-Y793 HydrophobicContact CG2-CE2 3.61Å; T700-Y793 HydrophobicContact CG2-CG 4.33Å |
| 701 | Q | 82.8 | Confident | 89.1 | Confident | 168 Ų | 168 | 59.6 Ų | 59.6 | 79% | 0.785 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -24.7 | 179 | -174.3 | 174.3 | -7.7 | 0 | 0 | 113.7 | ||
| 702 | G | 81.2 | Confident | 89 | Confident | 71 Ų | 71 | 61.2 Ų | 61.2 | 73% | 0.732 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -8.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | T700 | T700-G702 PolarHBondContact O-N 3Š|
| 703 | G | 86.6 | Confident | 88.9 | Confident | 24 Ų | 24 | 60.3 Ų | 60.3 | 25% | 0.247 | 33% | 0.332 | C | S | . | . | trans | 63.9 | -165.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | P697 T700 | P697-G703 CarbonylContact O-C 3.5Å; P697-G703 WeakPolarHBondContact O-CA 3.47Å; T700-G703 PolarHBondContact O-N 2.71Å; T700-G703 PolarHBondContact OG1-N 3.17Å | ||
| 704 | R | 89.9 | Confident | 88.9 | Confident | 74 Ų | 74 | 58.8 Ų | 58.8 | 28% | 0.279 | 33% | 0.326 | S | S | . | . | trans | -91 | 120.4 | 172.5 | -177.9 | 170 | -73.2 | -132.5 | 2.5 | 110.2 | P697 E698 H709 C710 E711 | P697-R704 HydrophobicContact CB-CB 3.94Å; P697-R704 HydrophobicContact CB-CG 4.28Å; E698-R704 VanDerWaalsContact CD-NH2 3.26Å; E698-R704 HydrophobicContact CG-CB 4.27Å; E698-R704 IonicContact OE1-CZ 2.89Å; E698-R704 VanDerWaalsContact OE1-CZ 3.24Å; E698-R704 IonicContact OE1-NE 2.92Å; E698-R704 PolarHBondContact OE1-NE 2.63Å; E698-R704 VanDerWaalsContact OE1-NE 3.16Å; E698-R704 IonicContact OE1-NH2 3.24Å; E698-R704 PolarHBondContact OE1-NH2 3.18Å; E698-R704 IonicContact OE2-CZ 3.12Å; E698-R704 VanDerWaalsContact OE2-CZ 3.23Å; E698-R704 IonicContact OE2-NE 2.82Å; E698-R704 PolarHBondContact OE2-NE 3.29Å; E698-R704 IonicContact OE2-NH2 3.23Å; E698-R704 PolarHBondContact OE2-NH2 3.02Å; R704-H709 HydrophobicContact CG-CB 4.42Å; R704-C710 PolarHBondContact NH1-O 3.5Å; R704-E711 VanDerWaalsContact NH1-CA 3.28Å; R704-E711 PolarHBondContact NH1-O 3.21Å; R704-E711 PolarHBondContact NH2-O 3.21Å; R704-E711 VanDerWaalsContact NH2-O 3.09Å | ||
| 705 | N | 86.7 | Confident | 88.8 | Confident | 60 Ų | 60 | 58.7 Ų | 58.7 | 32% | 0.321 | 33% | 0.325 | S | S | . | . | trans | -96.4 | 111.7 | 164.6 | -178.4 | -6.2 | 0 | 0 | 0 | 109.5 | T707 L708 H709 | N705-T707 PolarHBondContact O-N 3.37Å; N705-T707 PolarHBondContact OD1-N 3.07Å; N705-T707 VanDerWaalsContact OD1-N 3.11Å; N705-T707 PolarHBondContact OD1-OG1 3.04Å; N705-L708 HydrophobicContact CB-CB 4.44Å; N705-L708 WeakPolarHBondContact ND2-CD1 3.48Å; N705-L708 PolarHBondContact O-N 2.79Å; N705-H709 PolarHBondContact N-ND1 2.67Å; N705-H709 PolarHBondContact O-N 3.07Å | ||
| 706 | P | 86.6 | Confident | 88.8 | Confident | 113 Ų | 113 | 57.2 Ų | 57.2 | 73% | 0.734 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -20.9 | -177.8 | -23.7 | 35.1 | 0 | 0 | 0 | 115.4 | ||
| 707 | T | 85.2 | Confident | 88.8 | Confident | 120 Ų | 120 | 55.9 Ų | 55.9 | 74% | 0.736 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -14.5 | 179.4 | 65.2 | 0 | 0 | 0 | 0 | 113.5 | N705 | N705-T707 PolarHBondContact O-N 3.37Å; N705-T707 PolarHBondContact OD1-N 3.07Å; N705-T707 VanDerWaalsContact OD1-N 3.11Å; N705-T707 PolarHBondContact OD1-OG1 3.04Å |
| 708 | L | 84.3 | Confident | 88.7 | Confident | 110 Ų | 110 | 59 Ų | 59 | 58% | 0.576 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.3 | -36.9 | -178.1 | -61.9 | -179.2 | 0 | 0 | 0 | 113 | N705 R790 | N705-L708 HydrophobicContact CB-CB 4.44Å; N705-L708 WeakPolarHBondContact ND2-CD1 3.48Å; N705-L708 PolarHBondContact O-N 2.79Å; L708-R790 PolarHBondContact O-NH2 3.16Å |
| 709 | H | 87.8 | Confident | 88.7 | Confident | 31 Ų | 31 | 57.2 Ų | 57.2 | 14% | 0.144 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -101.9 | 128.4 | -172.5 | -52.2 | 158.9 | 0 | 0 | 0 | 111.1 | P697 R704 N705 E713 F715 | P697-H709 WeakPolarHBondContact CB-ND1 3.34Å; P697-H709 HydrophobicContact CG-CB 4.11Å; R704-H709 HydrophobicContact CG-CB 4.42Å; N705-H709 PolarHBondContact N-ND1 2.67Å; N705-H709 PolarHBondContact O-N 3.07Å; H709-E713 WeakPolarHBondContact CA-OE2 3.15Å; H709-F715 AromaticContact CE1-CZ 3.98Å; H709-F715 AromaticContact NE2-CZ 3.89Å |
| 710 | C | 87.3 | Confident | 88.8 | Confident | 60 Ų | 60 | 58 Ų | 58 | 41% | 0.405 | 32% | 0.322 | S | S | . | . | trans | -79.5 | 163.7 | 175.7 | -51.6 | 0 | 0 | 0 | 0 | 111.4 | R704 N712 E713 F788 | R704-C710 PolarHBondContact NH1-O 3.5Å; C710-N712 PolarHBondContact O-N 2.82Å; C710-E713 HydrophobicContact CB-CB 4.41Å; C710-E713 PolarHBondContact N-OE2 3.46Å; C710-E713 WeakPolarHBondContact O-CB 3.33Å; C710-E713 PolarHBondContact O-N 2.98Å; C710-E713 VanDerWaalsContact O-N 3.15Å; C710-F788 HydrophobicContact CB-CE1 3.76Å; C710-F788 HydrophobicContact CB-CZ 3.7Å | ||
| 711 | E | 87.1 | Confident | 89.1 | Confident | 164 Ų | 164 | 59 Ų | 59 | 77% | 0.766 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -52 | -172.6 | -67.1 | -175 | 144.7 | 0 | 0 | 113.2 | R704 E713 | R704-E711 VanDerWaalsContact NH1-CA 3.28Å; R704-E711 PolarHBondContact NH1-O 3.21Å; R704-E711 PolarHBondContact NH2-O 3.21Å; R704-E711 VanDerWaalsContact NH2-O 3.09Å; E711-E713 PolarHBondContact O-N 3.02Å |
| 712 | N | 92.2 | Very high | 89.6 | Confident | 35 Ų | 35 | 52.2 Ų | 52.2 | 19% | 0.187 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 17.7 | -179.3 | -69.3 | 12.7 | 0 | 0 | 0 | 114.1 | C710 Y740 P783 V786 L787 F788 | C710-N712 PolarHBondContact O-N 2.82Å; N712-Y740 HydrophobicContact CB-CE2 4.44Å; N712-Y740 PolarHBondContact ND2-OH 3.27Å; N712-P783 PolarHBondContact ND2-O 3.44Å; N712-V786 PolarHBondContact ND2-O 3.3Å; N712-L787 HydrophobicContact CB-CD2 3.93Å; N712-F788 HydrophobicContact CB-CD1 4.5Å; N712-F788 PolarHBondContact O-N 3.18Å |
| 713 | E | 93.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 134.5 | 177 | -172.7 | 169.7 | -173.5 | 0 | 0 | 112.1 | P697 H709 C710 E711 F715 F788 R790 H791 | P697-E713 WeakPolarHBondContact CD-O 3.36Å; H709-E713 WeakPolarHBondContact CA-OE2 3.15Å; C710-E713 HydrophobicContact CB-CB 4.41Å; C710-E713 PolarHBondContact N-OE2 3.46Å; C710-E713 WeakPolarHBondContact O-CB 3.33Å; C710-E713 PolarHBondContact O-N 2.98Å; C710-E713 VanDerWaalsContact O-N 3.15Å; E711-E713 PolarHBondContact O-N 3.02Å; E713-F715 HydrophobicContact CG-CD1 4.41Å; E713-F715 HydrophobicContact CG-CE1 4.03Å; E713-F788 HydrophobicContact CB-CE1 3.85Å; E713-F788 HydrophobicContact CB-CE2 4.19Å; E713-F788 HydrophobicContact CB-CZ 3.62Å; E713-F788 HydrophobicContact CG-CE2 4Å; E713-F788 HydrophobicContact CG-CZ 3.93Å; E713-R790 VanDerWaalsContact CD-NE 3.3Å; E713-R790 VanDerWaalsContact OE1-CG 3.23Å; E713-R790 WeakPolarHBondContact OE1-CG 3.33Å; E713-R790 IonicContact OE1-CZ 3.8Å; E713-R790 IonicContact OE1-NE 2.78Å; E713-R790 PolarHBondContact OE1-NE 3.04Å; E713-R790 IonicContact OE1-NH2 2.87Å; E713-R790 IonicContact OE2-CZ 3.15Å; E713-R790 IonicContact OE2-NE 3.78Å; E713-R790 PolarHBondContact OE2-NE 3.46Å; E713-R790 IonicContact OE2-NH2 2.74Å; E713-R790 PolarHBondContact OE2-NH2 2.7Å; E713-H791 IonicContact OE1-CE1 3.21Å; E713-H791 PolarHBondContact OE1-CE1 3.14Å; E713-H791 IonicContact OE1-ND1 3.01Å; E713-H791 PolarHBondContact OE1-ND1 3.32Å |
| 714 | I | 94.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 163.2 | 168.9 | 68.3 | -178.3 | 0 | 0 | 0 | 110.8 | V672 Y694 R696 V734 L787 F788 C789 | V672-I714 HydrophobicContact CB-CD1 4.42Å; V672-I714 HydrophobicContact CG1-CD1 3.86Å; Y694-I714 HydrophobicContact CD1-CD1 3.78Å; Y694-I714 HydrophobicContact CD1-CG1 4.01Å; Y694-I714 HydrophobicContact CD2-CD1 4.3Å; Y694-I714 HydrophobicContact CG-CD1 3.67Å; Y694-I714 HydrophobicContact CG-CG1 4.31Å; R696-I714 HydrophobicContact CG-CG2 3.99Å; I714-V734 HydrophobicContact CD1-CB 4.38Å; I714-V734 HydrophobicContact CD1-CG1 3.82Å; I714-V734 HydrophobicContact CD1-CG2 3.6Å; I714-V734 HydrophobicContact CG1-CG1 4.28Å; I714-L787 HydrophobicContact CD1-CB 3.97Å; I714-L787 HydrophobicContact CD1-CD1 4Å; I714-L787 HydrophobicContact CG1-CB 4.43Å; I714-L787 HydrophobicContact CG2-CD1 4.14Å; I714-F788 PolarHBondContact N-O 3.18Å; I714-C789 HydrophobicContact CG1-CB 4.32Å; I714-C789 WeakPolarHBondContact O-CA 3.37Å; I714-C789 WeakPolarHBondContact O-CB 3.14Å; I714-C789 PolarHBondContact O-SG 3.15Å |
| 715 | F | 93.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 0% | 0.004 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 129.1 | -176.9 | -48 | -44.4 | 0 | 0 | 0 | 111.1 | Y694 Y695 P697 T700 H709 E713 H791 L800 | Y694-F715 CarbonylContact C-O 3.49Å; Y694-F715 VanDerWaalsContact CA-O 3.31Å; Y694-F715 WeakPolarHBondContact CA-O 3.45Å; Y695-F715 PolarHBondContact N-O 3.1Å; Y695-F715 PolarHBondContact O-N 3.43Å; P697-F715 HydrophobicContact CB-CE2 4.04Å; P697-F715 HydrophobicContact CB-CZ 4.18Å; P697-F715 HydrophobicContact CG-CE1 4.45Å; P697-F715 HydrophobicContact CG-CE2 3.9Å; P697-F715 HydrophobicContact CG-CZ 3.74Å; T700-F715 HydrophobicContact CG2-CD2 3.72Å; T700-F715 HydrophobicContact CG2-CE2 3.85Å; H709-F715 AromaticContact CE1-CZ 3.98Å; H709-F715 AromaticContact NE2-CZ 3.89Å; E713-F715 HydrophobicContact CG-CD1 4.41Å; E713-F715 HydrophobicContact CG-CE1 4.03Å; F715-H791 WeakPolarHBondContact CA-O 3.21Å; F715-H791 HydrophobicContact CD1-CB 3.79Å; F715-H791 HydrophobicContact CE1-CB 4.18Å; F715-H791 AromaticContact CE1-ND1 3.92Å; F715-L800 HydrophobicContact CB-CD2 4.1Å; F715-L800 HydrophobicContact CD1-CD2 3.96Å; F715-L800 HydrophobicContact CD2-CD2 3.62Å; F715-L800 HydrophobicContact CE1-CD1 4.31Å; F715-L800 HydrophobicContact CE1-CD2 4.21Å; F715-L800 HydrophobicContact CE2-CD1 4.36Å; F715-L800 HydrophobicContact CE2-CD2 3.87Å; F715-L800 HydrophobicContact CG-CD2 3.63Å; F715-L800 HydrophobicContact CZ-CD1 4.04Å; F715-L800 HydrophobicContact CZ-CD2 4.15Å |
| 716 | A | 93.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 139.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | V153 Y694 C789 H791 V792 Y793 | V153-A716 HydrophobicContact CB-CB 4.22Å; V153-A716 HydrophobicContact CG1-CB 3.77Å; Y694-A716 HydrophobicContact CD1-CB 4.09Å; Y694-A716 HydrophobicContact CE1-CB 3.73Å; A716-C789 PolarHBondContact N-SG 2.83Å; A716-H791 PolarHBondContact N-O 3.1Å; A716-H791 VanDerWaalsContact N-O 3.09Å; A716-V792 CarbonylContact O-C 3.51Å; A716-V792 VanDerWaalsContact O-CA 3.26Å; A716-V792 WeakPolarHBondContact O-CA 3.37Å; A716-V792 WeakPolarHBondContact O-CG1 3.14Å; A716-Y793 PolarHBondContact O-N 3.46Å |
| 717 | S | 92.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.007 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 167.8 | 173.4 | -158.8 | 0 | 0 | 0 | 0 | 112.6 | W693 H719 Y793 | W693-S717 VanDerWaalsContact O-CB 3.31Å; W693-S717 WeakPolarHBondContact O-CB 3.31Å; W693-S717 PolarHBondContact O-N 2.86Å; W693-S717 VanDerWaalsContact O-N 3.16Å; S717-H719 PolarHBondContact OG-N 3.28Å; S717-Y793 WeakPolarHBondContact CB-O 3.34Å; S717-Y793 PolarHBondContact OG-O 3.15Å |
| 718 | R | 89.9 | Confident | 92.1 | Very high | 65 Ų | 65 | 35.9 Ų | 35.9 | 25% | 0.245 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 12.5 | 168.2 | -60.6 | -167.9 | -175.1 | 88.9 | 10.2 | 112.4 | M145 L157 Q720 | M145-R718 PolarHBondContact O-NH1 3.38Å; M145-R718 PolarHBondContact O-NH2 3Å; L157-R718 HydrophobicContact CD2-CG 4.47Å; R718-Q720 PolarHBondContact O-N 2.85Å |
| 719 | H | 91.6 | Very high | 92.5 | Very high | 36 Ų | 36 | 34.6 Ų | 34.6 | 17% | 0.167 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 104.8 | 171.2 | -171.9 | -155 | 0 | 0 | 0 | 108.1 | F692 W693 Y695 S717 F795 | F692-H719 WeakPolarHBondContact CA-O 2.83Å; W693-H719 HydrophobicContact CB-CB 4.26Å; W693-H719 AromaticContact CD1-CE1 3.6Å; W693-H719 AromaticContact CD1-CG 3.58Å; W693-H719 AromaticContact CD1-ND1 3.1Å; W693-H719 AromaticContact CG-ND1 3.84Å; W693-H719 PolarHBondContact N-O 3.32Å; W693-H719 AromaticContact NE1-CE1 3.73Å; W693-H719 AromaticContact NE1-ND1 3.7Å; Y695-H719 HydrophobicContact CE2-CB 4.32Å; Y695-H719 PolarHBondContact OH-ND1 3.04Å; S717-H719 PolarHBondContact OG-N 3.28Å; H719-F795 HydrophobicContact CB-CB 4.41Å; H719-F795 HydrophobicContact CB-CD1 3.6Å; H719-F795 HydrophobicContact CB-CD2 4.11Å; H719-F795 HydrophobicContact CB-CE1 3.75Å; H719-F795 HydrophobicContact CB-CE2 4.25Å; H719-F795 HydrophobicContact CB-CG 3.78Å; H719-F795 HydrophobicContact CB-CZ 4.08Å; H719-F795 AromaticContact CD2-CD2 3.96Å; H719-F795 AromaticContact CD2-CE2 3.54Å; H719-F795 AromaticContact CD2-CZ 3.75Å; H719-F795 AromaticContact CG-CD2 3.9Å; H719-F795 AromaticContact CG-CE2 3.93Å |
| 720 | Q | 92.1 | Very high | 92.7 | Very high | 67 Ų | 67 | 36.1 Ų | 36.1 | 31% | 0.313 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 136.9 | 178.2 | -164 | 169 | -1.2 | 0 | 0 | 108.9 | F629 L691 F692 R718 | F629-Q720 HydrophobicContact CB-CG 4.36Å; F629-Q720 HydrophobicContact CD1-CB 4.48Å; F629-Q720 HydrophobicContact CD1-CG 3.67Å; F629-Q720 HydrophobicContact CD2-CG 4.37Å; F629-Q720 HydrophobicContact CE1-CB 4.29Å; F629-Q720 HydrophobicContact CE1-CG 3.97Å; F629-Q720 HydrophobicContact CG-CG 3.88Å; F629-Q720 HydrophobicContact CZ-CB 4.46Å; F629-Q720 HydrophobicContact CZ-CG 4.44Å; L691-Q720 WeakPolarHBondContact O-CA 3.47Å; F692-Q720 HydrophobicContact CD1-CB 3.75Å; F692-Q720 HydrophobicContact CD1-CG 3.8Å; F692-Q720 HydrophobicContact CE1-CB 3.51Å; F692-Q720 HydrophobicContact CE1-CG 3.35Å; F692-Q720 HydrophobicContact CZ-CB 4.41Å; F692-Q720 HydrophobicContact CZ-CG 3.79Å; R718-Q720 PolarHBondContact O-N 2.85Å |
| 721 | D | 92.9 | Very high | 93.1 | Very high | 39 Ų | 39 | 35.2 Ų | 35.2 | 21% | 0.209 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 174.2 | -168.7 | -155.4 | -6.8 | 0 | 0 | 0 | 111.3 | S690 L691 W693 | S690-D721 WeakPolarHBondContact CA-O 3.39Å; L691-D721 PolarHBondContact N-O 2.97Å; L691-D721 PolarHBondContact O-N 3.07Å; W693-D721 PolarHBondContact NE1-OD2 2.9Å |
| 722 | V | 94.6 | Very high | 93.4 | Very high | 25 Ų | 25 | 27.4 Ų | 27.4 | 15% | 0.152 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 143.8 | 175 | 171.6 | 0 | 0 | 0 | 0 | 109.9 | F629 V631 W679 M688 M689 | F629-V722 HydrophobicContact CD1-CG2 4.08Å; F629-V722 HydrophobicContact CE1-CG2 4.43Å; F629-V722 VanDerWaalsContact O-CG2 3.28Å; F629-V722 WeakPolarHBondContact O-CG2 3.43Å; V631-V722 HydrophobicContact CG2-CB 3.96Å; V631-V722 HydrophobicContact CG2-CG2 4.02Å; W679-V722 HydrophobicContact CH2-CG1 4.13Å; W679-V722 HydrophobicContact CZ2-CG1 3.67Å; W679-V722 HydrophobicContact CZ2-CG2 4.08Å; M688-V722 HydrophobicContact CE-CG1 3.78Å; M689-V722 WeakPolarHBondContact O-CA 3.31Å |
| 723 | S | 94.4 | Very high | 93.5 | Very high | 25 Ų | 25 | 27.2 Ų | 27.2 | 18% | 0.175 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 158.1 | 175.4 | -75.2 | 0 | 0 | 0 | 0 | 111.7 | M688 M689 | M688-S723 CarbonylContact C-O 3.53Å; M688-S723 WeakPolarHBondContact CA-O 3.26Å; M689-S723 VanDerWaalsContact CG-O 3.32Å; M689-S723 WeakPolarHBondContact CG-O 3.47Å; M689-S723 PolarHBondContact N-O 2.98Å; M689-S723 PolarHBondContact O-N 2.84Å |
| 724 | S | 94.8 | Very high | 93.5 | Very high | 24 Ų | 24 | 28.1 Ų | 28.1 | 17% | 0.168 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 137.8 | 170.7 | 176.8 | 0 | 0 | 0 | 0 | 110.5 | M688 M689 A726 C727 | M688-S724 VanDerWaalsContact SD-CA 3.6Å; M689-S724 WeakPolarHBondContact CE-O 3.36Å; S724-A726 PolarHBondContact O-N 3.43Å; S724-A726 PolarHBondContact OG-N 2.97Å; S724-C727 WeakPolarHBondContact O-CB 3.43Å; S724-C727 PolarHBondContact O-N 2.86Å; S724-C727 PolarHBondContact O-SG 2.77Å; S724-C727 VanDerWaalsContact O-SG 3.37Å |
| 725 | V | 95.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -59.6 | -19.4 | 178.3 | -56 | 0 | 0 | 0 | 0 | 112.8 | W617 I645 L678 L687 M689 C727 I728 | W617-V725 HydrophobicContact CB-CB 4.47Å; W617-V725 HydrophobicContact CB-CG2 3.76Å; W617-V725 HydrophobicContact CG-CB 4.43Å; W617-V725 HydrophobicContact CG-CG2 4.16Å; W617-V725 PolarHBondContact NE1-O 2.91Å; I645-V725 HydrophobicContact CD1-CB 3.94Å; I645-V725 HydrophobicContact CD1-CG1 3.87Å; L678-V725 HydrophobicContact CD2-CG1 4.19Å; L687-V725 HydrophobicContact CB-CG1 4.17Å; L687-V725 HydrophobicContact CB-CG2 3.56Å; L687-V725 WeakPolarHBondContact O-CG2 3.42Å; L687-V725 PolarHBondContact O-N 3.04Å; L687-V725 VanDerWaalsContact O-N 3.08Å; M689-V725 HydrophobicContact CB-CG1 4.35Å; M689-V725 HydrophobicContact CG-CG1 4.44Å; M689-V725 HydrophobicContact SD-CG1 4.42Å; V725-C727 PolarHBondContact O-N 3.14Å; V725-C727 VanDerWaalsContact O-N 3.09Å; V725-I728 HydrophobicContact CB-CD1 4.14Å; V725-I728 WeakPolarHBondContact O-CB 3.45Å; V725-I728 WeakPolarHBondContact O-CG1 3.39Å; V725-I728 PolarHBondContact O-N 2.59Å |
| 726 | A | 93.9 | Very high | 93.1 | Very high | 22 Ų | 22 | 29.6 Ų | 29.6 | 18% | 0.182 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -57.6 | -22.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114 | S613 N615 K661 S724 I728 | S613-A726 VanDerWaalsContact O-CB 3.3Å; S613-A726 WeakPolarHBondContact O-CB 3.4Å; N615-A726 HydrophobicContact CB-CB 4.06Å; N615-A726 WeakPolarHBondContact CB-O 3.48Å; K661-A726 PolarHBondContact NZ-O 3.04Å; S724-A726 PolarHBondContact O-N 3.43Å; S724-A726 PolarHBondContact OG-N 2.97Å; A726-I728 VanDerWaalsContact C-N 3.32Å |
| 727 | C | 93.3 | Very high | 92.9 | Very high | 48 Ų | 48 | 33 Ų | 33 | 32% | 0.324 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -78.2 | -11.6 | 178.2 | -55.5 | 0 | 0 | 0 | 0 | 113.6 | L660 K661 S724 V725 E729 | L660-C727 WeakPolarHBondContact CA-O 3.37Å; L660-C727 HydrophobicContact CD2-CB 4.25Å; K661-C727 WeakPolarHBondContact CG-O 3.45Å; K661-C727 PolarHBondContact N-O 3.24Å; S724-C727 WeakPolarHBondContact O-CB 3.43Å; S724-C727 PolarHBondContact O-N 2.86Å; S724-C727 PolarHBondContact O-SG 2.77Å; S724-C727 VanDerWaalsContact O-SG 3.37Å; V725-C727 PolarHBondContact O-N 3.14Å; V725-C727 VanDerWaalsContact O-N 3.09Å; C727-E729 PolarHBondContact O-N 3.47Å |
| 728 | I | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 124.7 | 178.6 | -56.4 | 169 | 0 | 0 | 0 | 110 | W617 I645 R647 I652 V658 L660 M689 V725 A726 | W617-I728 HydrophobicContact CZ2-CB 4.08Å; W617-I728 HydrophobicContact CZ2-CD1 4.49Å; W617-I728 HydrophobicContact CZ2-CG2 3.7Å; I645-I728 HydrophobicContact CD1-CD1 3.5Å; R647-I728 PolarHBondContact NH1-O 3.05Å; I652-I728 HydrophobicContact CD1-CD1 4.13Å; I652-I728 HydrophobicContact CD1-CG2 3.71Å; V658-I728 HydrophobicContact CB-CG2 4.41Å; L660-I728 HydrophobicContact CD2-CB 4.5Å; L660-I728 HydrophobicContact CD2-CG1 3.88Å; M689-I728 HydrophobicContact CE-CD1 4.29Å; M689-I728 HydrophobicContact CE-CG1 3.78Å; M689-I728 HydrophobicContact SD-CD1 3.84Å; M689-I728 HydrophobicContact SD-CG1 3.93Å; V725-I728 HydrophobicContact CB-CD1 4.14Å; V725-I728 WeakPolarHBondContact O-CB 3.45Å; V725-I728 WeakPolarHBondContact O-CG1 3.39Å; V725-I728 PolarHBondContact O-N 2.59Å; A726-I728 VanDerWaalsContact C-N 3.32Å |
| 729 | E | 92.8 | Very high | 92.8 | Very high | 84 Ų | 84 | 34.4 Ų | 34.4 | 39% | 0.393 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | -63.7 | 166 | -60.1 | -171.3 | 131.4 | 0 | 0 | 108.5 | R647 L659 K661 C727 | R647-E729 PolarHBondContact NH1-O 2.86Å; R647-E729 VanDerWaalsContact NH1-O 3.14Å; R647-E729 PolarHBondContact NH2-O 2.82Å; L659-E729 HydrophobicContact CB-CB 4.43Å; L659-E729 PolarHBondContact O-N 3.15Å; K661-E729 HydrophobicContact CB-CG 4.25Å; K661-E729 HydrophobicContact CD-CG 4.39Å; K661-E729 HydrophobicContact CG-CG 3.31Å; K661-E729 WeakPolarHBondContact CG-OE1 3.47Å; C727-E729 PolarHBondContact O-N 3.47Å |
| 730 | D | 93.6 | Very high | 92.8 | Very high | 62 Ų | 62 | 34.6 Ų | 34.6 | 33% | 0.332 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 170.2 | -169.7 | -152.5 | -11.8 | 0 | 0 | 0 | 112.5 | L659 | L659-D730 HydrophobicContact CD1-CB 4.45Å; L659-D730 PolarHBondContact N-O 2.9Å |
| 731 | K | 94.1 | Very high | 92.8 | Very high | 42 Ų | 42 | 34.8 Ų | 34.8 | 18% | 0.183 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 145.2 | 169.3 | -169.8 | 172.6 | -170.1 | 160.5 | 0 | 110 | E651 I652 D656 | E651-K731 PolarHBondContact O-NZ 2.91Å; I652-K731 HydrophobicContact CG1-CB 4.33Å; I652-K731 HydrophobicContact CG1-CD 4.39Å; I652-K731 HydrophobicContact CG1-CG 4.47Å; D656-K731 VanDerWaalsContact CG-CE 3.4Å; D656-K731 IonicContact OD1-NZ 3.43Å; D656-K731 WeakPolarHBondContact OD2-CE 3.45Å; D656-K731 IonicContact OD2-NZ 2.97Å; D656-K731 PolarHBondContact OD2-NZ 3.01Å |
| 732 | C | 94.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 169.7 | 173.6 | 63.1 | 0 | 0 | 0 | 0 | 110.7 | T657 V658 L659 L785 | T657-C732 CarbonylContact C-O 3.47Å; T657-C732 VanDerWaalsContact C-SG 3.57Å; T657-C732 WeakPolarHBondContact CB-O 3.03Å; T657-C732 PolarHBondContact O-N 3.47Å; T657-C732 PolarHBondContact OG1-O 2.94Å; V658-C732 VanDerWaalsContact C-SG 3.58Å; L659-C732 HydrophobicContact CD2-CB 4.05Å; L659-C732 HydrophobicContact CG-CB 3.98Å; C732-L785 WeakPolarHBondContact CA-O 3.27Å; C732-L785 WeakPolarHBondContact CB-O 3.36Å |
| 733 | Y | 93.9 | Very high | 92.6 | Very high | 30 Ų | 30 | 39.6 Ų | 39.6 | 12% | 0.118 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 126.8 | -176.6 | -62.4 | -91.4 | 0 | 0 | 0 | 110.1 | V777 P778 V781 L785 L787 | Y733-V777 HydrophobicContact CD1-CG2 3.99Å; Y733-V777 HydrophobicContact CD2-CG1 4.46Å; Y733-V777 HydrophobicContact CG-CG1 4.32Å; Y733-V777 HydrophobicContact CG-CG2 4.06Å; Y733-P778 VanDerWaalsContact CZ-CD 3.43Å; Y733-P778 WeakPolarHBondContact OH-CD 3.47Å; Y733-V781 HydrophobicContact CD2-CG2 4.01Å; Y733-V781 HydrophobicContact CE2-CG2 3.78Å; Y733-L785 PolarHBondContact N-O 3.1Å; Y733-L787 PolarHBondContact O-N 3.28Å |
| 734 | V | 93 | Very high | 92.5 | Very high | 20 Ų | 20 | 40.8 Ų | 40.8 | 12% | 0.121 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 108.5 | 178.4 | -177.8 | 0 | 0 | 0 | 0 | 110.5 | T657 V672 Y694 I714 L787 C789 | T657-V734 HydrophobicContact CG2-CB 4.12Å; T657-V734 HydrophobicContact CG2-CG2 3.75Å; T657-V734 PolarHBondContact OG1-N 3.34Å; V672-V734 HydrophobicContact CG1-CG2 4.15Å; Y694-V734 HydrophobicContact CD1-CG1 4.3Å; Y694-V734 HydrophobicContact CD2-CG2 4.33Å; Y694-V734 HydrophobicContact CE1-CG1 3.76Å; Y694-V734 HydrophobicContact CE2-CB 4.39Å; Y694-V734 HydrophobicContact CE2-CG1 4.34Å; Y694-V734 HydrophobicContact CE2-CG2 4.1Å; I714-V734 HydrophobicContact CD1-CB 4.38Å; I714-V734 HydrophobicContact CD1-CG1 3.82Å; I714-V734 HydrophobicContact CD1-CG2 3.6Å; I714-V734 HydrophobicContact CG1-CG1 4.28Å; V734-L787 WeakPolarHBondContact CA-O 3.36Å; V734-L787 HydrophobicContact CG2-CB 4.47Å; V734-C789 HydrophobicContact CG1-CB 3.99Å |
| 735 | L | 91 | Very high | 92.3 | Very high | 10 Ų | 10 | 42.5 Ų | 42.5 | 5% | 0.052 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 159.7 | -174.9 | -64.9 | -174.9 | 0 | 0 | 0 | 113 | Q739 Y740 F743 V777 V786 L787 F788 C789 | L735-Q739 HydrophobicContact CB-CB 3.89Å; L735-Q739 HydrophobicContact CD1-CB 4.19Å; L735-Q739 HydrophobicContact CD2-CB 4.08Å; L735-Q739 HydrophobicContact CG-CB 4.28Å; L735-Y740 HydrophobicContact CD1-CD2 4.41Å; L735-F743 HydrophobicContact CD1-CB 4.03Å; L735-F743 HydrophobicContact CD1-CG 4.49Å; L735-V777 HydrophobicContact CD1-CG2 4.15Å; L735-V777 HydrophobicContact CD2-CG2 3.8Å; L735-V777 HydrophobicContact CG-CG2 4.31Å; L735-V786 HydrophobicContact CD1-CG1 3.69Å; L735-V786 HydrophobicContact CG-CG1 4.17Å; L735-L787 PolarHBondContact N-O 3.26Å; L735-F788 CarbonylContact O-C 3.55Å; L735-F788 VanDerWaalsContact O-CA 3.29Å; L735-F788 WeakPolarHBondContact O-CA 3.41Å; L735-C789 PolarHBondContact O-N 2.87Å |
| 736 | T | 89 | Confident | 91.9 | Very high | 21 Ų | 21 | 45.9 Ų | 45.9 | 13% | 0.129 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 157.1 | 159 | 71 | 0 | 0 | 0 | 0 | 109.8 | E151 A738 Q739 Y740 | E151-T736 HydrophobicContact CB-CG2 4.09Å; E151-T736 HydrophobicContact CG-CG2 3.94Å; T736-A738 PolarHBondContact O-N 3.01Å; T736-Q739 WeakPolarHBondContact O-CB 3.42Å; T736-Q739 PolarHBondContact O-N 3.39Å; T736-Q739 WeakPolarHBondContact OG1-CG 3.34Å; T736-Q739 PolarHBondContact OG1-N 2.84Å; T736-Q739 PolarHBondContact OG1-OE1 3.14Å; T736-Y740 PolarHBondContact O-N 3.47Å |
| 737 | L | 88.9 | Confident | 91.8 | Very high | 71 Ų | 71 | 46.8 Ų | 46.8 | 37% | 0.372 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -52.1 | -42.8 | 178.3 | 178.5 | 64.3 | 0 | 0 | 0 | 112.5 | Q739 Y740 C741 F788 R790 | L737-Q739 PolarHBondContact O-N 3.2Å; L737-Y740 PolarHBondContact O-N 2.74Å; L737-C741 PolarHBondContact O-N 2.73Å; L737-C741 PolarHBondContact O-SG 2.87Å; L737-F788 HydrophobicContact CB-CD2 4.36Å; L737-F788 HydrophobicContact CD1-CD2 3.94Å; L737-F788 HydrophobicContact CD1-CE2 3.72Å; L737-F788 HydrophobicContact CD1-CZ 4.35Å; L737-R790 HydrophobicContact CB-CB 4.46Å |
| 738 | A | 89.2 | Confident | 91.7 | Very high | 55 Ų | 55 | 50 Ų | 50 | 46% | 0.455 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68.1 | -33.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | T736 R742 | T736-A738 PolarHBondContact O-N 3.01Å; A738-R742 WeakPolarHBondContact O-CG 3.38Å; A738-R742 PolarHBondContact O-N 3.05Å; A738-R742 PolarHBondContact O-NH1 3.16Å |
| 739 | Q | 90.1 | Very high | 91.4 | Very high | 41 Ų | 41 | 54.5 Ų | 54.5 | 19% | 0.192 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.6 | -43 | 171.3 | -73.7 | 168.7 | -28.4 | 0 | 0 | 111 | L735 T736 L737 R742 F743 | L735-Q739 HydrophobicContact CB-CB 3.89Å; L735-Q739 HydrophobicContact CD1-CB 4.19Å; L735-Q739 HydrophobicContact CD2-CB 4.08Å; L735-Q739 HydrophobicContact CG-CB 4.28Å; T736-Q739 WeakPolarHBondContact O-CB 3.42Å; T736-Q739 PolarHBondContact O-N 3.39Å; T736-Q739 WeakPolarHBondContact OG1-CG 3.34Å; T736-Q739 PolarHBondContact OG1-N 2.84Å; T736-Q739 PolarHBondContact OG1-OE1 3.14Å; L737-Q739 PolarHBondContact O-N 3.2Å; Q739-R742 WeakPolarHBondContact O-CB 3.39Å; Q739-R742 PolarHBondContact O-N 2.92Å; Q739-F743 PolarHBondContact O-N 2.93Å |
| 740 | Y | 91.6 | Very high | 91.1 | Very high | 40 Ų | 40 | 55.7 Ų | 55.7 | 16% | 0.157 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 180 | -173.6 | -105.7 | 0 | 0 | 0 | 112.6 | N712 L735 T736 L737 R742 F743 C744 V786 F788 | N712-Y740 HydrophobicContact CB-CE2 4.44Å; N712-Y740 PolarHBondContact ND2-OH 3.27Å; L735-Y740 HydrophobicContact CD1-CD2 4.41Å; T736-Y740 PolarHBondContact O-N 3.47Å; L737-Y740 PolarHBondContact O-N 2.74Å; Y740-R742 VanDerWaalsContact C-N 3.26Å; Y740-R742 PolarHBondContact O-N 3.31Å; Y740-F743 HydrophobicContact CD2-CD1 4.45Å; Y740-F743 HydrophobicContact CE2-CD1 4.37Å; Y740-F743 WeakPolarHBondContact O-CB 3.39Å; Y740-F743 PolarHBondContact O-N 2.93Å; Y740-F743 VanDerWaalsContact O-N 3.1Å; Y740-C744 WeakPolarHBondContact CE1-SG 3.44Å; Y740-C744 VanDerWaalsContact CZ-SG 3.51Å; Y740-C744 PolarHBondContact O-N 3.16Å; Y740-C744 PolarHBondContact O-SG 2.84Å; Y740-V786 HydrophobicContact CD2-CG1 4.14Å; Y740-V786 HydrophobicContact CE2-CG1 4.25Å; Y740-V786 WeakPolarHBondContact CE2-O 3.37Å; Y740-F788 HydrophobicContact CD1-CB 4.07Å; Y740-F788 AromaticContact CD1-CD1 3.47Å; Y740-F788 HydrophobicContact CD1-CD1 3.47Å; Y740-F788 VanDerWaalsContact CD1-CD1 3.47Å; Y740-F788 HydrophobicContact CD1-CE1 4.08Å; Y740-F788 AromaticContact CD1-CG 3.85Å; Y740-F788 HydrophobicContact CD1-CG 3.85Å; Y740-F788 HydrophobicContact CD2-CB 3.86Å; Y740-F788 HydrophobicContact CD2-CD1 4.23Å; Y740-F788 HydrophobicContact CD2-CG 4.43Å; Y740-F788 AromaticContact CE1-CD1 3.58Å; Y740-F788 HydrophobicContact CE1-CD1 3.58Å; Y740-F788 AromaticContact CE1-CE1 3.97Å; Y740-F788 HydrophobicContact CE1-CE1 3.97Å; Y740-F788 HydrophobicContact CE1-CG 4.41Å; Y740-F788 HydrophobicContact CE2-CD1 4.32Å; Y740-F788 HydrophobicContact CG-CB 3.55Å; Y740-F788 AromaticContact CG-CD1 3.83Å; Y740-F788 HydrophobicContact CG-CD1 3.83Å; Y740-F788 AromaticContact CG-CG 3.87Å; Y740-F788 HydrophobicContact CG-CG 3.87Å |
| 741 | C | 92.6 | Very high | 90.9 | Very high | 71 Ų | 71 | 63.1 Ų | 63.1 | 48% | 0.48 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.3 | -36.6 | 174.5 | -66.7 | 0 | 0 | 0 | 0 | 112.5 | L737 A745 | L737-C741 PolarHBondContact O-N 2.73Å; L737-C741 PolarHBondContact O-SG 2.87Å; C741-A745 PolarHBondContact O-N 3.17Å; C741-A745 VanDerWaalsContact O-N 3.12Å |
| 742 | R | 91.6 | Very high | 90.8 | Very high | 149 Ų | 149 | 66.1 Ų | 66.1 | 56% | 0.562 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -67.9 | -43.6 | 173.1 | -70 | -171.3 | -63.3 | -97.7 | 10.2 | 111.9 | A738 Q739 Y740 A745 L746 | A738-R742 WeakPolarHBondContact O-CG 3.38Å; A738-R742 PolarHBondContact O-N 3.05Å; A738-R742 PolarHBondContact O-NH1 3.16Å; Q739-R742 WeakPolarHBondContact O-CB 3.39Å; Q739-R742 PolarHBondContact O-N 2.92Å; Y740-R742 VanDerWaalsContact C-N 3.26Å; Y740-R742 PolarHBondContact O-N 3.31Å; R742-A745 PolarHBondContact O-N 3.22Å; R742-L746 WeakPolarHBondContact O-CG 3.46Å; R742-L746 PolarHBondContact O-N 2.76Å |
| 743 | F | 91.3 | Very high | 90.3 | Very high | 17 Ų | 17 | 69 Ų | 69 | 8% | 0.075 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58 | -48.5 | 174.4 | 173.6 | -100.5 | 0 | 0 | 0 | 111.8 | L735 Q739 Y740 A745 L746 V747 V777 V781 P783 V786 | L735-F743 HydrophobicContact CD1-CB 4.03Å; L735-F743 HydrophobicContact CD1-CG 4.49Å; Q739-F743 PolarHBondContact O-N 2.93Å; Y740-F743 HydrophobicContact CD2-CD1 4.45Å; Y740-F743 HydrophobicContact CE2-CD1 4.37Å; Y740-F743 WeakPolarHBondContact O-CB 3.39Å; Y740-F743 PolarHBondContact O-N 2.93Å; Y740-F743 VanDerWaalsContact O-N 3.1Å; F743-A745 VanDerWaalsContact C-N 3.3Å; F743-A745 PolarHBondContact O-N 3.1Å; F743-L746 PolarHBondContact O-N 3.05Å; F743-L746 VanDerWaalsContact O-N 3.12Å; F743-V747 HydrophobicContact CD1-CG2 4.21Å; F743-V747 HydrophobicContact CD2-CG2 4.19Å; F743-V747 HydrophobicContact CE1-CG2 3.74Å; F743-V747 HydrophobicContact CE2-CG2 3.72Å; F743-V747 HydrophobicContact CG-CG2 4.41Å; F743-V747 HydrophobicContact CZ-CG2 3.47Å; F743-V747 VanDerWaalsContact CZ-CG2 3.47Å; F743-V747 WeakPolarHBondContact O-CG2 3.41Å; F743-V747 PolarHBondContact O-N 2.92Å; F743-V777 HydrophobicContact CD2-CG1 4.09Å; F743-V777 HydrophobicContact CE2-CG1 3.84Å; F743-V781 HydrophobicContact CE2-CG1 4.11Å; F743-V781 HydrophobicContact CZ-CG1 4.18Å; F743-P783 HydrophobicContact CE1-CB 4.24Å; F743-P783 HydrophobicContact CZ-CB 4.37Å; F743-P783 HydrophobicContact CZ-CG 4.46Å; F743-V786 HydrophobicContact CD1-CB 4.15Å; F743-V786 HydrophobicContact CD1-CG1 3.73Å; F743-V786 HydrophobicContact CE1-CB 3.62Å; F743-V786 HydrophobicContact CE1-CG1 3.74Å; F743-V786 HydrophobicContact CE1-CG2 3.82Å; F743-V786 HydrophobicContact CE2-CG2 4.01Å; F743-V786 HydrophobicContact CG-CG1 4.14Å; F743-V786 HydrophobicContact CZ-CB 3.89Å; F743-V786 HydrophobicContact CZ-CG1 4.16Å; F743-V786 HydrophobicContact CZ-CG2 3.51Å |
| 744 | C | 91.9 | Very high | 89.8 | Confident | 50 Ų | 50 | 71.4 Ų | 71.4 | 34% | 0.338 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.3 | -39.2 | 176.6 | -64.4 | 0 | 0 | 0 | 0 | 112.8 | Y740 K748 | Y740-C744 WeakPolarHBondContact CE1-SG 3.44Å; Y740-C744 VanDerWaalsContact CZ-SG 3.51Å; Y740-C744 PolarHBondContact O-N 3.16Å; Y740-C744 PolarHBondContact O-SG 2.84Å; C744-K748 VanDerWaalsContact O-CB 3.29Å; C744-K748 WeakPolarHBondContact O-CB 3.05Å; C744-K748 PolarHBondContact O-N 2.99Å |
| 745 | A | 91.1 | Very high | 88.7 | Confident | 60 Ų | 60 | 75.9 Ų | 75.9 | 50% | 0.496 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.8 | -38.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | C741 R742 F743 R749 | C741-A745 PolarHBondContact O-N 3.17Å; C741-A745 VanDerWaalsContact O-N 3.12Å; R742-A745 PolarHBondContact O-N 3.22Å; F743-A745 VanDerWaalsContact C-N 3.3Å; F743-A745 PolarHBondContact O-N 3.1Å; A745-R749 WeakPolarHBondContact O-CB 3.15Å; A745-R749 PolarHBondContact O-N 2.87Å |
| 746 | L | 88.5 | Confident | 87.6 | Confident | 71 Ų | 71 | 80.1 Ų | 80.1 | 37% | 0.372 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -68.4 | -45.5 | 175.3 | -69.2 | 169.4 | 0 | 0 | 0 | 112 | R742 F743 K748 R749 R750 | R742-L746 WeakPolarHBondContact O-CG 3.46Å; R742-L746 PolarHBondContact O-N 2.76Å; F743-L746 PolarHBondContact O-N 3.05Å; F743-L746 VanDerWaalsContact O-N 3.12Å; L746-K748 VanDerWaalsContact C-N 3.32Å; L746-K748 PolarHBondContact O-N 2.91Å; L746-R749 PolarHBondContact O-N 3.32Å; L746-R750 WeakPolarHBondContact O-CG 3.37Å; L746-R750 PolarHBondContact O-N 2.78Å |
| 747 | V | 90.4 | Very high | 86.6 | Confident | 40 Ų | 40 | 82.6 Ų | 82.6 | 24% | 0.242 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 175.2 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | F743 R750 R751 P783 | F743-V747 HydrophobicContact CD1-CG2 4.21Å; F743-V747 HydrophobicContact CD2-CG2 4.19Å; F743-V747 HydrophobicContact CE1-CG2 3.74Å; F743-V747 HydrophobicContact CE2-CG2 3.72Å; F743-V747 HydrophobicContact CG-CG2 4.41Å; F743-V747 HydrophobicContact CZ-CG2 3.47Å; F743-V747 VanDerWaalsContact CZ-CG2 3.47Å; F743-V747 WeakPolarHBondContact O-CG2 3.41Å; F743-V747 PolarHBondContact O-N 2.92Å; V747-R750 PolarHBondContact O-N 3.1Å; V747-R751 WeakPolarHBondContact O-CB 3.13Å; V747-R751 PolarHBondContact O-N 2.85Å; V747-P783 HydrophobicContact CG1-CG 4.03Å; V747-P783 HydrophobicContact CG2-CG 4.39Å |
| 748 | K | 91.3 | Very high | 85.4 | Confident | 116 Ų | 116 | 82.8 Ų | 82.8 | 50% | 0.504 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.9 | -50.4 | 174 | -176.2 | 179.3 | 173.1 | -176.4 | 0 | 111.5 | C744 L746 R750 R751 E752 | C744-K748 VanDerWaalsContact O-CB 3.29Å; C744-K748 WeakPolarHBondContact O-CB 3.05Å; C744-K748 PolarHBondContact O-N 2.99Å; L746-K748 VanDerWaalsContact C-N 3.32Å; L746-K748 PolarHBondContact O-N 2.91Å; K748-R750 VanDerWaalsContact C-N 3.34Å; K748-R750 PolarHBondContact O-N 2.7Å; K748-R751 PolarHBondContact O-N 3.01Å; K748-R751 VanDerWaalsContact O-N 3.15Å; K748-E752 WeakPolarHBondContact CE-OE1 3.28Å; K748-E752 VanDerWaalsContact CE-OE2 3.3Å; K748-E752 WeakPolarHBondContact CE-OE2 3.35Å; K748-E752 HydrophobicContact CG-CG 4.45Å; K748-E752 IonicContact NZ-OE1 2.71Å; K748-E752 WeakPolarHBondContact O-CB 3.28Å; K748-E752 WeakPolarHBondContact O-CG 3.07Å; K748-E752 PolarHBondContact O-N 2.74Å |
| 749 | R | 88.4 | Confident | 84.2 | Confident | 95 Ų | 95 | 83.1 Ų | 83.1 | 36% | 0.358 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -53.4 | -48.7 | 176.4 | -177.8 | -170.9 | -67.6 | 177.6 | -1.3 | 111.6 | A745 L746 E752 G753 V754 D756 | A745-R749 WeakPolarHBondContact O-CB 3.15Å; A745-R749 PolarHBondContact O-N 2.87Å; L746-R749 PolarHBondContact O-N 3.32Å; R749-E752 PolarHBondContact O-N 3.36Å; R749-G753 PolarHBondContact O-N 3.26Å; R749-V754 HydrophobicContact CG-CB 3.84Å; R749-V754 HydrophobicContact CG-CG1 4.07Å; R749-V754 VanDerWaalsContact CG-O 3.31Å; R749-V754 WeakPolarHBondContact CG-O 3.08Å; R749-V754 PolarHBondContact O-N 2.85Å; R749-D756 WeakPolarHBondContact CD-OD1 3.39Å; R749-D756 IonicContact CZ-OD1 2.84Å; R749-D756 IonicContact NE-OD1 3.68Å; R749-D756 IonicContact NH1-OD1 3.16Å; R749-D756 PolarHBondContact NH1-OD1 2.89Å |
| 750 | R | 87.1 | Confident | 82.9 | Confident | 108 Ų | 108 | 83.6 Ų | 83.6 | 41% | 0.408 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 177.3 | -73.5 | -157.2 | -77.9 | -96.2 | 17.5 | 112.2 | L746 V747 K748 E752 G753 D779 | L746-R750 WeakPolarHBondContact O-CG 3.37Å; L746-R750 PolarHBondContact O-N 2.78Å; V747-R750 PolarHBondContact O-N 3.1Å; K748-R750 VanDerWaalsContact C-N 3.34Å; K748-R750 PolarHBondContact O-N 2.7Å; R750-E752 VanDerWaalsContact C-N 3.27Å; R750-E752 PolarHBondContact O-N 3.34Å; R750-G753 PolarHBondContact O-N 3.35Å; R750-G753 VanDerWaalsContact O-N 3.15Å; R750-D779 IonicContact CZ-OD1 3.58Å; R750-D779 IonicContact NH1-OD1 3.04Å; R750-D779 PolarHBondContact NH1-OD1 3.37Å; R750-D779 VanDerWaalsContact NH2-CA 3.29Å; R750-D779 PolarHBondContact NH2-O 2.79Å; R750-D779 IonicContact NH2-OD1 3.77Å; R750-D779 PolarHBondContact NH2-OD1 3.5Å |
| 751 | R | 88.8 | Confident | 81.4 | Confident | 218 Ų | 218 | 88.8 Ų | 88.8 | 82% | 0.823 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.5 | -30.3 | 177.1 | -176.5 | 177.3 | 179 | -84.1 | 2.1 | 113.1 | V747 K748 G753 | V747-R751 WeakPolarHBondContact O-CB 3.13Å; V747-R751 PolarHBondContact O-N 2.85Å; K748-R751 PolarHBondContact O-N 3.01Å; K748-R751 VanDerWaalsContact O-N 3.15Å; R751-G753 VanDerWaalsContact C-N 3.29Å |
| 752 | E | 92.3 | Very high | 80.1 | Confident | 106 Ų | 106 | 91 Ų | 91 | 50% | 0.495 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -0.5 | 177.5 | -69.8 | 172.8 | 162.8 | 0 | 0 | 112.9 | K748 R749 R750 V754 | K748-E752 WeakPolarHBondContact CE-OE1 3.28Å; K748-E752 VanDerWaalsContact CE-OE2 3.3Å; K748-E752 WeakPolarHBondContact CE-OE2 3.35Å; K748-E752 HydrophobicContact CG-CG 4.45Å; K748-E752 IonicContact NZ-OE1 2.71Å; K748-E752 WeakPolarHBondContact O-CB 3.28Å; K748-E752 WeakPolarHBondContact O-CG 3.07Å; K748-E752 PolarHBondContact O-N 2.74Å; R749-E752 PolarHBondContact O-N 3.36Å; R750-E752 VanDerWaalsContact C-N 3.27Å; R750-E752 PolarHBondContact O-N 3.34Å; E752-V754 HydrophobicContact CB-CG2 4.07Å; E752-V754 PolarHBondContact O-N 3.42Å |
| 753 | G | 85 | Confident | 78.7 | Confident | 59 Ų | 59 | 88.6 Ų | 88.6 | 61% | 0.608 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | 12.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | R749 R750 R751 C755 | R749-G753 PolarHBondContact O-N 3.26Å; R750-G753 PolarHBondContact O-N 3.35Å; R750-G753 VanDerWaalsContact O-N 3.15Å; R751-G753 VanDerWaalsContact C-N 3.29Å; G753-C755 PolarHBondContact O-N 3.09Å; G753-C755 VanDerWaalsContact O-N 3.08Å |
| 754 | V | 82.4 | Confident | 77.2 | Confident | 82 Ų | 82 | 92.4 Ų | 92.4 | 50% | 0.497 | 53% | 0.531 | S | S | . | . | trans | -74.2 | 102.4 | -178.9 | 175.6 | 0 | 0 | 0 | 0 | 108.3 | R749 E752 | R749-V754 HydrophobicContact CG-CB 3.84Å; R749-V754 HydrophobicContact CG-CG1 4.07Å; R749-V754 VanDerWaalsContact CG-O 3.31Å; R749-V754 WeakPolarHBondContact CG-O 3.08Å; R749-V754 PolarHBondContact O-N 2.85Å; E752-V754 HydrophobicContact CB-CG2 4.07Å; E752-V754 PolarHBondContact O-N 3.42Å | ||
| 755 | C | 70.4 | Confident | 75.6 | Confident | 113 Ų | 113 | 94.8 Ų | 94.8 | 76% | 0.764 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -51.2 | 143.4 | 171.3 | -63.9 | 0 | 0 | 0 | 0 | 110.6 | G753 S757 | G753-C755 PolarHBondContact O-N 3.09Å; G753-C755 VanDerWaalsContact O-N 3.08Å; C755-S757 PolarHBondContact O-N 3.37Å; C755-S757 VanDerWaalsContact O-N 3.15Å |
| 756 | D | 68.8 | Low | 74 | Confident | 100 Ų | 100 | 97.9 Ų | 97.9 | 54% | 0.535 | 56% | 0.559 | S | S | . | * | P | Polyproline II helix | trans | -59.3 | 122.5 | 172.1 | -71.4 | -55.4 | 0 | 0 | 0 | 109.6 | R749 | R749-D756 WeakPolarHBondContact CD-OD1 3.39Å; R749-D756 IonicContact CZ-OD1 2.84Å; R749-D756 IonicContact NE-OD1 3.68Å; R749-D756 IonicContact NH1-OD1 3.16Å; R749-D756 PolarHBondContact NH1-OD1 2.89Å |
| 757 | S | 67.2 | Low | 72.4 | Confident | 72 Ų | 72 | 102.4 Ų | 102.4 | 50% | 0.503 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -63.5 | 152.9 | -177.4 | 58 | 0 | 0 | 0 | 0 | 110.4 | C755 A759 S760 | C755-S757 PolarHBondContact O-N 3.37Å; C755-S757 VanDerWaalsContact O-N 3.15Å; S757-A759 PolarHBondContact O-N 3.45Å; S757-S760 WeakPolarHBondContact O-CB 3.43Å; S757-S760 PolarHBondContact O-N 2.8Å; S757-S760 PolarHBondContact O-OG 3.2Å |
| 758 | A | 63.7 | Low | 70.3 | Confident | 76 Ų | 76 | 104.5 Ų | 104.5 | 63% | 0.628 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -53.3 | -25.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S760 L761 V762 | A758-S760 PolarHBondContact O-N 3.45Å; A758-L761 WeakPolarHBondContact O-CB 3.36Å; A758-L761 PolarHBondContact O-N 2.68Å; A758-V762 WeakPolarHBondContact O-CG2 3.43Å; A758-V762 PolarHBondContact O-N 3.17Å |
| 759 | A | 63.2 | Low | 68.1 | Low | 62 Ų | 62 | 106 Ų | 106 | 51% | 0.512 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -61.2 | -23.6 | 173 | 0 | 0 | 0 | 0 | 0 | 114.7 | S757 L761 V762 V763 | S757-A759 PolarHBondContact O-N 3.45Å; A759-L761 VanDerWaalsContact C-N 3.3Å; A759-V762 PolarHBondContact O-N 2.87Å; A759-V763 PolarHBondContact O-N 2.87Å |
| 760 | S | 62.7 | Low | 66.6 | Low | 51 Ų | 51 | 106 Ų | 106 | 36% | 0.357 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -70.9 | -26.7 | 171.8 | 74.4 | 0 | 0 | 0 | 0 | 112.7 | S757 A758 | S757-S760 WeakPolarHBondContact O-CB 3.43Å; S757-S760 PolarHBondContact O-N 2.8Å; S757-S760 PolarHBondContact O-OG 3.2Å; A758-S760 PolarHBondContact O-N 3.45Å |
| 761 | L | 60.4 | Low | 65.1 | Low | 149 Ų | 149 | 106 Ų | 106 | 78% | 0.78 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -83.1 | -22.2 | 174.3 | -52.4 | 175.9 | 0 | 0 | 0 | 111.8 | A758 A759 | A758-L761 WeakPolarHBondContact O-CB 3.36Å; A758-L761 PolarHBondContact O-N 2.68Å; A759-L761 VanDerWaalsContact C-N 3.3Å |
| 762 | V | 65.4 | Low | 64 | Low | 117 Ų | 117 | 98.5 Ų | 98.5 | 71% | 0.709 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -75.7 | -28.9 | 175.4 | 174 | 0 | 0 | 0 | 0 | 111.9 | A758 A759 P764 | A758-V762 WeakPolarHBondContact O-CG2 3.43Å; A758-V762 PolarHBondContact O-N 3.17Å; A759-V762 PolarHBondContact O-N 2.87Å; V762-P764 WeakPolarHBondContact O-CD 3.21Å |
| 763 | V | 63.2 | Low | 62.6 | Low | 98 Ų | 98 | 98.8 Ų | 98.8 | 59% | 0.594 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -82.4 | 114.2 | 167.9 | -179.7 | 0 | 0 | 0 | 0 | 108.1 | A759 | A759-V763 PolarHBondContact O-N 2.87Š|
| 764 | P | 59.3 | Low | 61.7 | Low | 97 Ų | 97 | 97.8 Ų | 97.8 | 63% | 0.63 | 61% | 0.607 | S | S | * | * | trans | -60.1 | 134.5 | 176.6 | -21.8 | 34.2 | 0 | 0 | 0 | 109.8 | V762 V766 | V762-P764 WeakPolarHBondContact O-CD 3.21Å; P764-V766 PolarHBondContact O-N 2.94Å | ||
| 765 | P | 58.6 | Low | 60.9 | Low | 100 Ų | 100 | 96.4 Ų | 96.4 | 65% | 0.649 | 60% | 0.595 | S | S | * | * | trans | -57.3 | 138.5 | 170.7 | 26.1 | -33.8 | 0 | 0 | 0 | 108.4 | L767 | P765-L767 VanDerWaalsContact C-N 3.3Å; P765-L767 PolarHBondContact O-N 3.1Å | ||
| 766 | V | 56.4 | Low | 61.2 | Low | 126 Ų | 126 | 93.9 Ų | 93.9 | 76% | 0.764 | 58% | 0.577 | S | S | * | * | trans | -67.7 | 87.9 | -170.6 | -177.3 | 0 | 0 | 0 | 0 | 110.2 | P764 S768 | P764-V766 PolarHBondContact O-N 2.94Å; V766-S768 WeakPolarHBondContact CG1-O 3.21Å; V766-S768 PolarHBondContact O-N 3.22Å; V766-S768 VanDerWaalsContact O-N 3.16Å | ||
| 767 | L | 54.9 | Low | 62 | Low | 165 Ų | 165 | 90.8 Ų | 90.8 | 86% | 0.864 | 56% | 0.562 | S | S | * | * | trans | -81.2 | 20.2 | -175.5 | -92.8 | 162.7 | 0 | 0 | 0 | 113.4 | P765 | P765-L767 VanDerWaalsContact C-N 3.3Å; P765-L767 PolarHBondContact O-N 3.1Å | ||
| 768 | S | 46.1 | Very low | 63 | Low | 85 Ų | 85 | 89.6 Ų | 89.6 | 59% | 0.594 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -136.2 | 128.9 | 176.6 | -175.5 | 0 | 0 | 0 | 0 | 108.4 | V766 | V766-S768 WeakPolarHBondContact CG1-O 3.21Å; V766-S768 PolarHBondContact O-N 3.22Å; V766-S768 VanDerWaalsContact O-N 3.16Å |
| 769 | N | 45.7 | Very low | 63.9 | Low | 147 Ų | 147 | 91.4 Ų | 91.4 | 79% | 0.786 | 55% | 0.552 | S | S | * | * | S | Bend | trans | 57.1 | 76.4 | -166.4 | -57.1 | -12.4 | 0 | 0 | 0 | 112.8 | M771 | N769-M771 PolarHBondContact O-N 3.27Š|
| 770 | A | 56.7 | Low | 64.9 | Low | 95 Ų | 95 | 95.4 Ų | 95.4 | 79% | 0.785 | 57% | 0.565 | S | S | * | * | trans | -51.4 | 114.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 771 | M | 56.8 | Low | 66.2 | Low | 108 Ų | 108 | 94.3 Ų | 94.3 | 53% | 0.532 | 56% | 0.556 | S | S | . | * | trans | -54.1 | 127.3 | -178.2 | -82.4 | -65.7 | -60.9 | 0 | 0 | 109.3 | N769 T773 H775 C776 | N769-M771 PolarHBondContact O-N 3.27Å; M771-T773 PolarHBondContact O-N 2.78Å; M771-H775 HydrophobicContact CE-CB 3.75Å; M771-C776 PolarHBondContact O-SG 2.99Å | ||
| 772 | P | 64.1 | Low | 67.7 | Low | 60 Ų | 60 | 91.3 Ų | 91.3 | 39% | 0.39 | 54% | 0.541 | S | S | . | . | trans | -55.9 | 134.8 | -174.6 | -26.3 | 33.8 | 0 | 0 | 0 | 110.8 | H774 H775 | P772-H774 WeakPolarHBondContact CB-CE1 3.47Å; P772-H774 PolarHBondContact O-N 3.02Å; P772-H775 WeakPolarHBondContact O-CB 3.37Å; P772-H775 PolarHBondContact O-N 3.21Å | ||
| 773 | T | 64.1 | Low | 68.9 | Low | 113 Ų | 113 | 88.5 Ų | 88.5 | 69% | 0.693 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -55.4 | -29.6 | -163.5 | -39.9 | 0 | 0 | 0 | 0 | 114.4 | M771 H775 C776 | M771-T773 PolarHBondContact O-N 2.78Å; T773-H775 PolarHBondContact O-N 2.94Å; T773-C776 PolarHBondContact O-N 2.97Å; T773-C776 VanDerWaalsContact O-N 3.1Å |
| 774 | H | 66.3 | Low | 70.3 | Confident | 38 Ų | 38 | 91.4 Ų | 91.4 | 18% | 0.176 | 53% | 0.532 | C | S | . | . | G | 310 helix | trans | -70.8 | -4.1 | 174.7 | 55.3 | -95.1 | 0 | 0 | 0 | 115 | R655 D656 P772 | R655-H774 HydrophobicContact CB-CB 4.22Å; R655-H774 VanDerWaalsContact CD-CE1 3.43Å; R655-H774 WeakPolarHBondContact CD-CE1 3.45Å; D656-H774 WeakPolarHBondContact OD1-CB 3.5Å; P772-H774 WeakPolarHBondContact CB-CE1 3.47Å; P772-H774 PolarHBondContact O-N 3.02Å |
| 775 | H | 65.3 | Low | 71.9 | Confident | 53 Ų | 53 | 88.5 Ų | 88.5 | 25% | 0.245 | 51% | 0.51 | C | S | . | . | G | 310 helix | trans | -106.5 | -7.7 | 169.8 | -73.5 | -68 | 0 | 0 | 0 | 113.1 | M771 P772 T773 | M771-H775 HydrophobicContact CE-CB 3.75Å; P772-H775 WeakPolarHBondContact O-CB 3.37Å; P772-H775 PolarHBondContact O-N 3.21Å; T773-H775 PolarHBondContact O-N 2.94Å |
| 776 | C | 76.6 | Confident | 73.6 | Confident | 59 Ų | 59 | 83.7 Ų | 83.7 | 40% | 0.399 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -94.8 | 122.7 | 178 | -64.4 | 0 | 0 | 0 | 0 | 109.2 | M771 T773 | M771-C776 PolarHBondContact O-SG 2.99Å; T773-C776 PolarHBondContact O-N 2.97Å; T773-C776 VanDerWaalsContact O-N 3.1Å |
| 777 | V | 86 | Confident | 75.4 | Confident | 35 Ų | 35 | 77.8 Ų | 77.8 | 21% | 0.212 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -92.8 | 123.8 | 175.6 | -177 | 0 | 0 | 0 | 0 | 108 | Y733 L735 F743 V781 V786 | Y733-V777 HydrophobicContact CD1-CG2 3.99Å; Y733-V777 HydrophobicContact CD2-CG1 4.46Å; Y733-V777 HydrophobicContact CG-CG1 4.32Å; Y733-V777 HydrophobicContact CG-CG2 4.06Å; L735-V777 HydrophobicContact CD1-CG2 4.15Å; L735-V777 HydrophobicContact CD2-CG2 3.8Å; L735-V777 HydrophobicContact CG-CG2 4.31Å; F743-V777 HydrophobicContact CD2-CG1 4.09Å; F743-V777 HydrophobicContact CE2-CG1 3.84Å; V777-V781 HydrophobicContact CG1-CB 4.47Å; V777-V781 HydrophobicContact CG1-CG1 3.51Å; V777-V786 HydrophobicContact CG1-CG2 3.89Å |
| 778 | P | 86.6 | Confident | 77.2 | Confident | 47 Ų | 47 | 70 Ų | 70 | 31% | 0.305 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 148.7 | 175.8 | -23.1 | 34.3 | 0 | 0 | 0 | 112.4 | Y733 D780 V781 | Y733-P778 VanDerWaalsContact CZ-CD 3.43Å; Y733-P778 WeakPolarHBondContact OH-CD 3.47Å; P778-D780 VanDerWaalsContact C-N 3.26Å; P778-D780 WeakPolarHBondContact CB-OD1 3.33Å; P778-D780 PolarHBondContact O-N 3.18Å; P778-V781 WeakPolarHBondContact O-CG1 3.44Å; P778-V781 PolarHBondContact O-N 3.23Å |
| 779 | D | 82.8 | Confident | 79.4 | Confident | 114 Ų | 114 | 66.1 Ų | 66.1 | 61% | 0.61 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -20.1 | -177.1 | -78.4 | -51.7 | 0 | 0 | 0 | 114.3 | R750 | R750-D779 IonicContact CZ-OD1 3.58Å; R750-D779 IonicContact NH1-OD1 3.04Å; R750-D779 PolarHBondContact NH1-OD1 3.37Å; R750-D779 VanDerWaalsContact NH2-CA 3.29Å; R750-D779 PolarHBondContact NH2-O 2.79Å; R750-D779 IonicContact NH2-OD1 3.77Å; R750-D779 PolarHBondContact NH2-OD1 3.5Å |
| 780 | D | 84.8 | Confident | 81.5 | Confident | 147 Ų | 147 | 62.7 Ų | 62.7 | 79% | 0.786 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 1.8 | 179.5 | 61.3 | -39.2 | 0 | 0 | 0 | 114.1 | P778 | P778-D780 VanDerWaalsContact C-N 3.26Å; P778-D780 WeakPolarHBondContact CB-OD1 3.33Å; P778-D780 PolarHBondContact O-N 3.18Å |
| 781 | V | 89.4 | Confident | 83.1 | Confident | 27 Ų | 27 | 60.5 Ų | 60.5 | 16% | 0.164 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -68.5 | 146.4 | 178.3 | 82.6 | 0 | 0 | 0 | 0 | 112.2 | Y733 F743 V777 P778 P783 L785 V786 | Y733-V781 HydrophobicContact CD2-CG2 4.01Å; Y733-V781 HydrophobicContact CE2-CG2 3.78Å; F743-V781 HydrophobicContact CE2-CG1 4.11Å; F743-V781 HydrophobicContact CZ-CG1 4.18Å; V777-V781 HydrophobicContact CG1-CB 4.47Å; V777-V781 HydrophobicContact CG1-CG1 3.51Å; P778-V781 WeakPolarHBondContact O-CG1 3.44Å; P778-V781 PolarHBondContact O-N 3.23Å; V781-P783 WeakPolarHBondContact O-CD 3.43Å; V781-L785 HydrophobicContact CG2-CB 4.18Å; V781-L785 HydrophobicContact CG2-CD1 4.29Å; V781-V786 HydrophobicContact CG1-CG2 3.58Å |
| 782 | D | 91.8 | Very high | 84.6 | Confident | 87 Ų | 87 | 55.4 Ų | 55.4 | 47% | 0.465 | 30% | 0.3 | S | S | . | . | trans | -66.1 | 127.1 | 167.7 | -165.1 | -47 | 0 | 0 | 0 | 110.5 | E784 L785 | D782-E784 PolarHBondContact O-N 3.21Å; D782-E784 VanDerWaalsContact O-N 3.16Å; D782-E784 WeakPolarHBondContact OD1-CB 3.29Å; D782-E784 PolarHBondContact OD1-N 3.29Å; D782-L785 HydrophobicContact CB-CD1 4.28Å; D782-L785 HydrophobicContact CB-CG 4.26Å; D782-L785 WeakPolarHBondContact O-CB 3.45Å; D782-L785 PolarHBondContact O-N 3.18Å | ||
| 783 | P | 92.3 | Very high | 85.9 | Confident | 57 Ų | 57 | 53.3 Ų | 53.3 | 37% | 0.37 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -55.7 | -24.7 | 174.4 | -27 | 36.3 | 0 | 0 | 0 | 115.3 | N712 F743 V747 V781 L785 V786 | N712-P783 PolarHBondContact ND2-O 3.44Å; F743-P783 HydrophobicContact CE1-CB 4.24Å; F743-P783 HydrophobicContact CZ-CB 4.37Å; F743-P783 HydrophobicContact CZ-CG 4.46Å; V747-P783 HydrophobicContact CG1-CG 4.03Å; V747-P783 HydrophobicContact CG2-CG 4.39Å; V781-P783 WeakPolarHBondContact O-CD 3.43Å; P783-L785 VanDerWaalsContact C-N 3.26Å; P783-L785 PolarHBondContact O-N 2.57Å; P783-V786 PolarHBondContact O-N 2.56Å; P783-V786 VanDerWaalsContact O-N 3.16Å |
| 784 | E | 91.3 | Very high | 87.2 | Confident | 160 Ų | 160 | 48.9 Ų | 48.9 | 75% | 0.748 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -68.3 | -24.6 | 174.8 | -66.2 | -167.9 | -170.7 | 0 | 0 | 112.8 | D782 V786 | D782-E784 PolarHBondContact O-N 3.21Å; D782-E784 VanDerWaalsContact O-N 3.16Å; D782-E784 WeakPolarHBondContact OD1-CB 3.29Å; D782-E784 PolarHBondContact OD1-N 3.29Å; E784-V786 VanDerWaalsContact C-N 3.27Å; E784-V786 PolarHBondContact O-N 3.26Å |
| 785 | L | 93.4 | Very high | 88.3 | Confident | 35 Ų | 35 | 50.6 Ų | 50.6 | 18% | 0.183 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -81.9 | -3.2 | 173.7 | -61.6 | 177.3 | 0 | 0 | 0 | 113 | L659 C732 Y733 V781 D782 P783 | L659-L785 HydrophobicContact CD1-CD2 3.69Å; C732-L785 WeakPolarHBondContact CA-O 3.27Å; C732-L785 WeakPolarHBondContact CB-O 3.36Å; Y733-L785 PolarHBondContact N-O 3.1Å; V781-L785 HydrophobicContact CG2-CB 4.18Å; V781-L785 HydrophobicContact CG2-CD1 4.29Å; D782-L785 HydrophobicContact CB-CD1 4.28Å; D782-L785 HydrophobicContact CB-CG 4.26Å; D782-L785 WeakPolarHBondContact O-CB 3.45Å; D782-L785 PolarHBondContact O-N 3.18Å; P783-L785 VanDerWaalsContact C-N 3.26Å; P783-L785 PolarHBondContact O-N 2.57Å |
| 786 | V | 94.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 107.5 | -179.9 | -171.7 | 0 | 0 | 0 | 0 | 110.3 | N712 L735 Y740 F743 V777 V781 P783 E784 | N712-V786 PolarHBondContact ND2-O 3.3Å; L735-V786 HydrophobicContact CD1-CG1 3.69Å; L735-V786 HydrophobicContact CG-CG1 4.17Å; Y740-V786 HydrophobicContact CD2-CG1 4.14Å; Y740-V786 HydrophobicContact CE2-CG1 4.25Å; Y740-V786 WeakPolarHBondContact CE2-O 3.37Å; F743-V786 HydrophobicContact CD1-CB 4.15Å; F743-V786 HydrophobicContact CD1-CG1 3.73Å; F743-V786 HydrophobicContact CE1-CB 3.62Å; F743-V786 HydrophobicContact CE1-CG1 3.74Å; F743-V786 HydrophobicContact CE1-CG2 3.82Å; F743-V786 HydrophobicContact CE2-CG2 4.01Å; F743-V786 HydrophobicContact CG-CG1 4.14Å; F743-V786 HydrophobicContact CZ-CB 3.89Å; F743-V786 HydrophobicContact CZ-CG1 4.16Å; F743-V786 HydrophobicContact CZ-CG2 3.51Å; V777-V786 HydrophobicContact CG1-CG2 3.89Å; V781-V786 HydrophobicContact CG1-CG2 3.58Å; P783-V786 PolarHBondContact O-N 2.56Å; P783-V786 VanDerWaalsContact O-N 3.16Å; E784-V786 VanDerWaalsContact C-N 3.27Å; E784-V786 PolarHBondContact O-N 3.26Å |
| 787 | L | 94.4 | Very high | 90.1 | Very high | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 163.3 | -178.1 | -56 | 174.8 | 0 | 0 | 0 | 110.1 | V672 N712 I714 Y733 V734 L735 | V672-L787 HydrophobicContact CG1-CD1 4.08Å; V672-L787 HydrophobicContact CG2-CD1 3.78Å; N712-L787 HydrophobicContact CB-CD2 3.93Å; I714-L787 HydrophobicContact CD1-CB 3.97Å; I714-L787 HydrophobicContact CD1-CD1 4Å; I714-L787 HydrophobicContact CG1-CB 4.43Å; I714-L787 HydrophobicContact CG2-CD1 4.14Å; Y733-L787 PolarHBondContact O-N 3.28Å; V734-L787 WeakPolarHBondContact CA-O 3.36Å; V734-L787 HydrophobicContact CG2-CB 4.47Å; L735-L787 PolarHBondContact N-O 3.26Å |
| 788 | F | 93.4 | Very high | 90.3 | Very high | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.009 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 156.6 | 176 | 82.1 | -86.8 | 0 | 0 | 0 | 113.4 | C710 N712 E713 I714 L735 L737 Y740 R790 | C710-F788 HydrophobicContact CB-CE1 3.76Å; C710-F788 HydrophobicContact CB-CZ 3.7Å; N712-F788 HydrophobicContact CB-CD1 4.5Å; N712-F788 PolarHBondContact O-N 3.18Å; E713-F788 HydrophobicContact CB-CE1 3.85Å; E713-F788 HydrophobicContact CB-CE2 4.19Å; E713-F788 HydrophobicContact CB-CZ 3.62Å; E713-F788 HydrophobicContact CG-CE2 4Å; E713-F788 HydrophobicContact CG-CZ 3.93Å; I714-F788 PolarHBondContact N-O 3.18Å; L735-F788 CarbonylContact O-C 3.55Å; L735-F788 VanDerWaalsContact O-CA 3.29Å; L735-F788 WeakPolarHBondContact O-CA 3.41Å; L737-F788 HydrophobicContact CB-CD2 4.36Å; L737-F788 HydrophobicContact CD1-CD2 3.94Å; L737-F788 HydrophobicContact CD1-CE2 3.72Å; L737-F788 HydrophobicContact CD1-CZ 4.35Å; Y740-F788 HydrophobicContact CD1-CB 4.07Å; Y740-F788 AromaticContact CD1-CD1 3.47Å; Y740-F788 HydrophobicContact CD1-CD1 3.47Å; Y740-F788 VanDerWaalsContact CD1-CD1 3.47Å; Y740-F788 HydrophobicContact CD1-CE1 4.08Å; Y740-F788 AromaticContact CD1-CG 3.85Å; Y740-F788 HydrophobicContact CD1-CG 3.85Å; Y740-F788 HydrophobicContact CD2-CB 3.86Å; Y740-F788 HydrophobicContact CD2-CD1 4.23Å; Y740-F788 HydrophobicContact CD2-CG 4.43Å; Y740-F788 AromaticContact CE1-CD1 3.58Å; Y740-F788 HydrophobicContact CE1-CD1 3.58Å; Y740-F788 AromaticContact CE1-CE1 3.97Å; Y740-F788 HydrophobicContact CE1-CE1 3.97Å; Y740-F788 HydrophobicContact CE1-CG 4.41Å; Y740-F788 HydrophobicContact CE2-CD1 4.32Å; Y740-F788 HydrophobicContact CG-CB 3.55Å; Y740-F788 AromaticContact CG-CD1 3.83Å; Y740-F788 HydrophobicContact CG-CD1 3.83Å; Y740-F788 AromaticContact CG-CG 3.87Å; Y740-F788 HydrophobicContact CG-CG 3.87Å; F788-R790 HydrophobicContact CE2-CG 4.14Å |
| 789 | C | 91.7 | Very high | 90.4 | Very high | 2 Ų | 2 | 63.6 Ų | 63.6 | 1% | 0.014 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 129.8 | -176.4 | -175.9 | 0 | 0 | 0 | 0 | 112 | Y694 I714 A716 V734 L735 H791 | Y694-C789 HydrophobicContact CE1-CB 4.46Å; I714-C789 HydrophobicContact CG1-CB 4.32Å; I714-C789 WeakPolarHBondContact O-CA 3.37Å; I714-C789 WeakPolarHBondContact O-CB 3.14Å; I714-C789 PolarHBondContact O-SG 3.15Å; A716-C789 PolarHBondContact N-SG 2.83Å; V734-C789 HydrophobicContact CG1-CB 3.99Å; L735-C789 PolarHBondContact O-N 2.87Å; C789-H791 PolarHBondContact SG-O 2.77Å; C789-H791 VanDerWaalsContact SG-O 3.38Å |
| 790 | R | 89.6 | Confident | 90.7 | Very high | 75 Ų | 75 | 61 Ų | 61 | 28% | 0.283 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | -16.5 | 175.5 | 56.9 | 174.1 | 175.4 | 172.7 | -1.4 | 114.1 | A150 L708 E713 L737 F788 N803 | A150-R790 WeakPolarHBondContact CB-O 3.48Å; L708-R790 PolarHBondContact O-NH2 3.16Å; E713-R790 VanDerWaalsContact CD-NE 3.3Å; E713-R790 VanDerWaalsContact OE1-CG 3.23Å; E713-R790 WeakPolarHBondContact OE1-CG 3.33Å; E713-R790 IonicContact OE1-CZ 3.8Å; E713-R790 IonicContact OE1-NE 2.78Å; E713-R790 PolarHBondContact OE1-NE 3.04Å; E713-R790 IonicContact OE1-NH2 2.87Å; E713-R790 IonicContact OE2-CZ 3.15Å; E713-R790 IonicContact OE2-NE 3.78Å; E713-R790 PolarHBondContact OE2-NE 3.46Å; E713-R790 IonicContact OE2-NH2 2.74Å; E713-R790 PolarHBondContact OE2-NH2 2.7Å; L737-R790 HydrophobicContact CB-CB 4.46Å; F788-R790 HydrophobicContact CE2-CG 4.14Å; R790-N803 PolarHBondContact O-ND2 3.4Å |
| 791 | H | 89.3 | Confident | 90.7 | Very high | 49 Ų | 49 | 54.8 Ų | 54.8 | 23% | 0.227 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 153.3 | -179.9 | -57.4 | 116 | 0 | 0 | 0 | 112.4 | E713 F715 A716 C789 L800 | E713-H791 IonicContact OE1-CE1 3.21Å; E713-H791 PolarHBondContact OE1-CE1 3.14Å; E713-H791 IonicContact OE1-ND1 3.01Å; E713-H791 PolarHBondContact OE1-ND1 3.32Å; F715-H791 WeakPolarHBondContact CA-O 3.21Å; F715-H791 HydrophobicContact CD1-CB 3.79Å; F715-H791 HydrophobicContact CE1-CB 4.18Å; F715-H791 AromaticContact CE1-ND1 3.92Å; A716-H791 PolarHBondContact N-O 3.1Å; A716-H791 VanDerWaalsContact N-O 3.09Å; C789-H791 PolarHBondContact SG-O 2.77Å; C789-H791 VanDerWaalsContact SG-O 3.38Å; H791-L800 HydrophobicContact CB-CD1 4.39Å; H791-L800 HydrophobicContact CB-CD2 4Å |
| 792 | V | 90 | Very high | 90 | Very high | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 132.4 | 175.3 | -179.4 | 0 | 0 | 0 | 0 | 109.3 | A150 V153 A716 L800 L801 | A150-V792 HydrophobicContact CB-CG2 4.14Å; V153-V792 HydrophobicContact CB-CG2 4.24Å; V153-V792 HydrophobicContact CG2-CG1 4.12Å; V153-V792 HydrophobicContact CG2-CG2 3.67Å; A716-V792 CarbonylContact O-C 3.51Å; A716-V792 VanDerWaalsContact O-CA 3.26Å; A716-V792 WeakPolarHBondContact O-CA 3.37Å; A716-V792 WeakPolarHBondContact O-CG1 3.14Å; V792-L800 CarbonylContact O-C 3.52Å; V792-L800 WeakPolarHBondContact O-CA 3.44Å; V792-L801 HydrophobicContact CB-CB 4.34Å; V792-L801 HydrophobicContact CB-CD1 4.09Å; V792-L801 HydrophobicContact CB-CG 4.36Å; V792-L801 HydrophobicContact CG1-CD1 3.71Å; V792-L801 HydrophobicContact CG1-CG 4.25Å; V792-L801 PolarHBondContact O-N 3.43Å |
| 793 | Y | 91.5 | Very high | 88.3 | Confident | 17 Ų | 17 | 60.9 Ų | 60.9 | 7% | 0.067 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 119.7 | 177.8 | -177 | -112.1 | 0 | 0 | 0 | 110.6 | Y695 T700 A716 S717 F795 G798 L800 | Y695-Y793 AromaticContact CD1-CD1 3.92Å; Y695-Y793 HydrophobicContact CD1-CD1 3.92Å; Y695-Y793 AromaticContact CD1-CE1 3.67Å; Y695-Y793 HydrophobicContact CD1-CE1 3.67Å; Y695-Y793 AromaticContact CD2-CD1 3.59Å; Y695-Y793 HydrophobicContact CD2-CD1 3.59Å; Y695-Y793 HydrophobicContact CD2-CE1 4.17Å; Y695-Y793 HydrophobicContact CE1-CD1 4.27Å; Y695-Y793 AromaticContact CE1-CE1 3.86Å; Y695-Y793 HydrophobicContact CE1-CE1 3.86Å; Y695-Y793 AromaticContact CE2-CD1 3.97Å; Y695-Y793 HydrophobicContact CE2-CD1 3.97Å; Y695-Y793 HydrophobicContact CE2-CE1 4.33Å; Y695-Y793 AromaticContact CG-CD1 3.56Å; Y695-Y793 HydrophobicContact CG-CD1 3.56Å; Y695-Y793 AromaticContact CG-CE1 3.84Å; Y695-Y793 HydrophobicContact CG-CE1 3.84Å; Y695-Y793 HydrophobicContact CG-CG 4.46Å; T700-Y793 HydrophobicContact CG2-CD2 3.88Å; T700-Y793 HydrophobicContact CG2-CE1 4.3Å; T700-Y793 HydrophobicContact CG2-CE2 3.61Å; T700-Y793 HydrophobicContact CG2-CG 4.33Å; A716-Y793 PolarHBondContact O-N 3.46Å; S717-Y793 WeakPolarHBondContact CB-O 3.34Å; S717-Y793 PolarHBondContact OG-O 3.15Å; Y793-F795 HydrophobicContact CD1-CB 4.26Å; Y793-F795 HydrophobicContact CE1-CB 4.14Å; Y793-F795 PolarHBondContact O-N 3.01Å; Y793-G798 VanDerWaalsContact CE2-C 3.47Å; Y793-L800 HydrophobicContact CD2-CD2 4.11Å |
| 794 | D | 90.9 | Very high | 86 | Confident | 19 Ų | 19 | 65.7 Ų | 65.7 | 10% | 0.102 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 97.1 | 169.2 | -164.4 | -28 | 0 | 0 | 0 | 109 | R796 Y797 G798 R799 L801 | D794-R796 PolarHBondContact O-N 2.63Å; D794-R796 WeakPolarHBondContact OD1-CB 3.34Å; D794-R796 IonicContact OD1-CZ 2.68Å; D794-R796 PolarHBondContact OD1-N 3Å; D794-R796 IonicContact OD1-NE 3.66Å; D794-R796 PolarHBondContact OD1-NE 3.14Å; D794-R796 IonicContact OD1-NH2 2.8Å; D794-R796 IonicContact OD2-CZ 3.61Å; D794-R796 IonicContact OD2-NE 3.53Å; D794-R796 IonicContact OD2-NH2 2.79Å; D794-R796 PolarHBondContact OD2-NH2 3.16Å; D794-Y797 HydrophobicContact CB-CD2 4.33Å; D794-Y797 PolarHBondContact O-N 3.47Å; D794-G798 PolarHBondContact O-N 2.61Å; D794-R799 PolarHBondContact N-O 2.91Å; D794-L801 HydrophobicContact CB-CD2 4.07Å |
| 795 | F | 89.3 | Confident | 83.3 | Confident | 75 Ų | 75 | 69.1 Ų | 69.1 | 33% | 0.329 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -24.9 | -177.7 | 73.7 | -78.2 | 0 | 0 | 0 | 114 | Y695 H719 Y793 | Y695-F795 HydrophobicContact CE2-CB 4.23Å; H719-F795 HydrophobicContact CB-CB 4.41Å; H719-F795 HydrophobicContact CB-CD1 3.6Å; H719-F795 HydrophobicContact CB-CD2 4.11Å; H719-F795 HydrophobicContact CB-CE1 3.75Å; H719-F795 HydrophobicContact CB-CE2 4.25Å; H719-F795 HydrophobicContact CB-CG 3.78Å; H719-F795 HydrophobicContact CB-CZ 4.08Å; H719-F795 AromaticContact CD2-CD2 3.96Å; H719-F795 AromaticContact CD2-CE2 3.54Å; H719-F795 AromaticContact CD2-CZ 3.75Å; H719-F795 AromaticContact CG-CD2 3.9Å; H719-F795 AromaticContact CG-CE2 3.93Å; Y793-F795 HydrophobicContact CD1-CB 4.26Å; Y793-F795 HydrophobicContact CE1-CB 4.14Å; Y793-F795 PolarHBondContact O-N 3.01Å |
| 796 | R | 90.3 | Very high | 82.8 | Confident | 160 Ų | 160 | 70.9 Ų | 70.9 | 60% | 0.604 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -20.5 | -179.6 | -55.9 | 170.8 | -61.2 | 162.5 | 7.3 | 113.3 | D794 | D794-R796 PolarHBondContact O-N 2.63Å; D794-R796 WeakPolarHBondContact OD1-CB 3.34Å; D794-R796 IonicContact OD1-CZ 2.68Å; D794-R796 PolarHBondContact OD1-N 3Å; D794-R796 IonicContact OD1-NE 3.66Å; D794-R796 PolarHBondContact OD1-NE 3.14Å; D794-R796 IonicContact OD1-NH2 2.8Å; D794-R796 IonicContact OD2-CZ 3.61Å; D794-R796 IonicContact OD2-NE 3.53Å; D794-R796 IonicContact OD2-NH2 2.79Å; D794-R796 PolarHBondContact OD2-NH2 3.16Å |
| 797 | Y | 89.3 | Confident | 82.2 | Confident | 141 Ų | 141 | 74.6 Ų | 74.6 | 55% | 0.553 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.6 | 10.1 | -178.7 | -61.8 | -66.7 | 0 | 0 | 0 | 112.8 | D794 R799 | D794-Y797 HydrophobicContact CB-CD2 4.33Å; D794-Y797 PolarHBondContact O-N 3.47Å; Y797-R799 PolarHBondContact O-N 3.01Å |
| 798 | G | 89.2 | Confident | 81.5 | Confident | 18 Ų | 18 | 78.6 Ų | 78.6 | 19% | 0.186 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 16 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y793 D794 | Y793-G798 VanDerWaalsContact CE2-C 3.47Å; D794-G798 PolarHBondContact O-N 2.61Å |
| 799 | R | 88.9 | Confident | 80.8 | Confident | 147 Ų | 147 | 83.1 Ų | 83.1 | 56% | 0.555 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 150.1 | -164.7 | 70.7 | -174.3 | 178.6 | -177.9 | -3.6 | 114.2 | D794 Y797 | D794-R799 PolarHBondContact N-O 2.91Å; Y797-R799 PolarHBondContact O-N 3.01Å |
| 800 | L | 88.6 | Confident | 80.2 | Confident | 59 Ų | 59 | 88.2 Ų | 88.2 | 31% | 0.309 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 138 | 163.2 | -63.4 | 178.2 | 0 | 0 | 0 | 110.1 | F715 H791 V792 Y793 K802 | F715-L800 HydrophobicContact CB-CD2 4.1Å; F715-L800 HydrophobicContact CD1-CD2 3.96Å; F715-L800 HydrophobicContact CD2-CD2 3.62Å; F715-L800 HydrophobicContact CE1-CD1 4.31Å; F715-L800 HydrophobicContact CE1-CD2 4.21Å; F715-L800 HydrophobicContact CE2-CD1 4.36Å; F715-L800 HydrophobicContact CE2-CD2 3.87Å; F715-L800 HydrophobicContact CG-CD2 3.63Å; F715-L800 HydrophobicContact CZ-CD1 4.04Å; F715-L800 HydrophobicContact CZ-CD2 4.15Å; H791-L800 HydrophobicContact CB-CD1 4.39Å; H791-L800 HydrophobicContact CB-CD2 4Å; V792-L800 CarbonylContact O-C 3.52Å; V792-L800 WeakPolarHBondContact O-CA 3.44Å; Y793-L800 HydrophobicContact CD2-CD2 4.11Å; L800-K802 PolarHBondContact O-N 2.87Å |
| 801 | L | 85.6 | Confident | 79.5 | Confident | 18 Ų | 18 | 89.1 Ų | 89.1 | 9% | 0.094 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 124 | 164.1 | -59.7 | -175.7 | 0 | 0 | 0 | 107.8 | V792 D794 N803 | V792-L801 HydrophobicContact CB-CB 4.34Å; V792-L801 HydrophobicContact CB-CD1 4.09Å; V792-L801 HydrophobicContact CB-CG 4.36Å; V792-L801 HydrophobicContact CG1-CD1 3.71Å; V792-L801 HydrophobicContact CG1-CG 4.25Å; V792-L801 PolarHBondContact O-N 3.43Å; D794-L801 HydrophobicContact CB-CD2 4.07Å; L801-N803 PolarHBondContact O-N 3.29Å; L801-N803 VanDerWaalsContact O-N 3.16Å |
| 802 | K | 74.4 | Confident | 78.8 | Confident | 196 Ų | 196 | 91.9 Ų | 91.9 | 85% | 0.852 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 116.6 | 167.8 | -64.1 | -173.4 | 178.3 | -172.6 | 0 | 107.5 | L800 L804 | L800-K802 PolarHBondContact O-N 2.87Å; K802-L804 PolarHBondContact O-N 3.25Å |
| 803 | N | 57.1 | Low | 78 | Confident | 46 Ų | 46 | 98.9 Ų | 98.9 | 25% | 0.246 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 122 | 169.8 | -77.6 | -32.2 | 0 | 0 | 0 | 107.7 | R790 L801 Q805 | R790-N803 PolarHBondContact O-ND2 3.4Å; L801-N803 PolarHBondContact O-N 3.29Å; L801-N803 VanDerWaalsContact O-N 3.16Å; N803-Q805 VanDerWaalsContact C-N 3.29Å; N803-Q805 HydrophobicContact CB-CG 4.36Å; N803-Q805 PolarHBondContact O-N 3.23Å |
| 804 | L | 43.8 | Very low | 76.9 | Confident | 157 Ų | 157 | 105.8 Ų | 105.8 | 82% | 0.822 | 48% | 0.478 | S | S | * | . | trans | -79.1 | 87.1 | 160.8 | -71.5 | 165.2 | 0 | 0 | 0 | 106.6 | K802 | K802-L804 PolarHBondContact O-N 3.25Š| ||
| 805 | Q | 35 | Very low | 75.6 | Confident | 233 Ų | 233 | 113.6 Ų | 113.6 | 100% | 1.089 | 51% | 0.513 | S | S | * | . | trans | -108.5 | 0 | 163 | -75.8 | -172.9 | -97.8 | 0 | 0 | 108 | N803 | N803-Q805 VanDerWaalsContact C-N 3.29Å; N803-Q805 HydrophobicContact CB-CG 4.36Å; N803-Q805 PolarHBondContact O-N 3.23Å |
Retrieved 805 of 805 residues in 149.1 ms
(Link to these results)