| 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 | 44.8 | Very low | 52.9 | Low | 245 Ų | 245 | 159.6 Ų | 159.6 | 100% | 1.207 | 84% | 0.836 | S | S | * | * | 0 | 98.9 | 0 | -74.4 | 152 | 72.7 | 0 | 0 | 107.5 | |||||
| 2 | T | 44.4 | Very low | 53.3 | Low | 137 Ų | 137 | 157.8 Ų | 157.8 | 84% | 0.84 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 116.3 | -176.2 | 45.8 | 0 | 0 | 0 | 0 | 109.2 | ||
| 3 | G | 51.8 | Low | 53.7 | Low | 73 Ų | 73 | 159.3 Ų | 159.3 | 75% | 0.753 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 121.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 4 | V | 51.2 | Low | 53.8 | Low | 124 Ų | 124 | 156.7 Ų | 156.7 | 75% | 0.752 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 119.1 | 175.1 | 178.7 | 0 | 0 | 0 | 0 | 108 | ||
| 5 | F | 60.5 | Low | 53.8 | Low | 207 Ų | 207 | 154 Ų | 154 | 91% | 0.908 | 82% | 0.821 | S | S | * | * | trans | -94.1 | 108.1 | 166.1 | -75.5 | -74 | 0 | 0 | 0 | 109.1 | ||||
| 6 | D | 55.8 | Low | 53.8 | Low | 142 Ų | 142 | 153.3 Ų | 153.3 | 76% | 0.759 | 82% | 0.818 | S | S | * | * | trans | -73.5 | 142.8 | -179.1 | -145.7 | -61.2 | 0 | 0 | 0 | 111.7 | ||||
| 7 | R | 50.9 | Low | 53.6 | Low | 221 Ų | 221 | 157.4 Ų | 157.4 | 83% | 0.834 | 83% | 0.827 | S | S | * | * | trans | -87.6 | 123 | -171.9 | -128.8 | 176.6 | -159.2 | -164.5 | 4.1 | 108.4 | ||||
| 8 | R | 54.3 | Low | 53.5 | Low | 240 Ų | 240 | 159.3 Ų | 159.3 | 91% | 0.906 | 83% | 0.831 | S | S | * | * | trans | -127.4 | 101.1 | 162.1 | -62.7 | -153.9 | -154.2 | -141.1 | 10.4 | 111 | ||||
| 9 | I | 61.7 | Low | 52.9 | Low | 144 Ų | 144 | 156.1 Ų | 156.1 | 74% | 0.738 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 126.3 | 164.1 | -60.9 | -174.7 | 0 | 0 | 0 | 107.1 | S11 | I9-S11 PolarHBondContact O-N 3.19Š|
| 10 | P | 57.5 | Low | 52.7 | Low | 113 Ų | 113 | 153.6 Ų | 153.6 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 123.3 | 170.7 | -13.3 | 28.6 | 0 | 0 | 0 | 110.7 | ||
| 11 | S | 49.5 | Very low | 52.4 | Low | 110 Ų | 110 | 156 Ų | 156 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 120.9 | 172.8 | 178.1 | 0 | 0 | 0 | 0 | 110.6 | I9 | I9-S11 PolarHBondContact O-N 3.19Š|
| 12 | V | 57.1 | Low | 52.9 | Low | 138 Ų | 138 | 152.9 Ų | 152.9 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 117.3 | 174.5 | -158.4 | 0 | 0 | 0 | 0 | 107.8 | ||
| 13 | K | 59 | Low | 53.1 | Low | 177 Ų | 177 | 154.5 Ų | 154.5 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 140.7 | 177.6 | -61.9 | -179.7 | -178 | 175.9 | 0 | 110.2 | ||
| 14 | P | 54.1 | Low | 52.8 | Low | 123 Ų | 123 | 155.8 Ų | 155.8 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | trans | -103.9 | 78.4 | -177.4 | 37.6 | -27.9 | 0 | 0 | 0 | 111.1 | ||||
| 15 | T | 54.6 | Low | 52.6 | Low | 116 Ų | 116 | 155.4 Ų | 155.4 | 71% | 0.712 | 81% | 0.808 | S | S | * | * | trans | -152 | 44.7 | 177.8 | 51.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 16 | D | 53.3 | Low | 52.1 | Low | 143 Ų | 143 | 153.1 Ų | 153.1 | 77% | 0.765 | 80% | 0.802 | S | S | * | * | trans | -153.3 | 40.1 | -179.4 | -112.1 | -48.5 | 0 | 0 | 0 | 118.1 | ||||
| 17 | F | 51.3 | Low | 51.6 | Low | 223 Ų | 223 | 155.2 Ų | 155.2 | 98% | 0.978 | 81% | 0.807 | S | S | * | * | trans | -140.3 | 71.3 | 160 | -82.6 | -75.3 | 0 | 0 | 0 | 111.4 | ||||
| 18 | Q | 51.5 | Low | 51.5 | Low | 192 Ų | 192 | 152.4 Ų | 152.4 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | trans | -114 | 101 | 160.1 | -153 | -176.7 | 28.4 | 0 | 0 | 107.2 | ||||
| 19 | S | 41.3 | Very low | 51.3 | Low | 98 Ų | 98 | 146.2 Ų | 146.2 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | trans | -164.2 | 117.2 | 158.7 | -98.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 20 | S | 49.8 | Very low | 50.4 | Low | 105 Ų | 105 | 144.5 Ų | 144.5 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | 59.6 | 88.5 | 133.1 | -59.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 21 | F | 47.2 | Very low | 49.8 | Very low | 206 Ų | 206 | 147.3 Ų | 147.3 | 90% | 0.904 | 80% | 0.798 | S | S | * | * | trans | -114.4 | 113.1 | 147.2 | -49.3 | -66 | 0 | 0 | 0 | 108.4 | ||||
| 22 | Q | 53.5 | Low | 49.6 | Very low | 178 Ų | 178 | 150 Ų | 150 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -64.1 | 133.5 | -175.6 | -66.7 | -176.3 | -38.7 | 0 | 0 | 111.4 | S24 | Q22-S24 PolarHBondContact O-N 3.36Š| ||
| 23 | L | 49.3 | Very low | 48.7 | Very low | 172 Ų | 172 | 148.9 Ų | 148.9 | 90% | 0.901 | 80% | 0.797 | S | S | * | * | trans | -69.1 | 108.5 | 164.8 | -172.7 | 73.1 | 0 | 0 | 0 | 108.2 | ||||
| 24 | S | 46.1 | Very low | 48.5 | Very low | 100 Ų | 100 | 146 Ų | 146 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | trans | -112.7 | 110.5 | 168 | -70.9 | 0 | 0 | 0 | 0 | 109.6 | Q22 M26 | Q22-S24 PolarHBondContact O-N 3.36Å; S24-M26 PolarHBondContact O-N 2.85Å | ||
| 25 | S | 45.8 | Very low | 48.3 | Very low | 115 Ų | 115 | 147 Ų | 147 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -53.4 | 123.4 | 166 | -64.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 26 | M | 49.6 | Very low | 48.1 | Very low | 159 Ų | 159 | 149.4 Ų | 149.4 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | trans | -112.6 | 101.8 | 159 | -83 | -173.4 | 65.2 | 0 | 0 | 109.2 | S24 | S24-M26 PolarHBondContact O-N 2.85Š| ||
| 27 | H | 46.3 | Very low | 48.5 | Very low | 186 Ų | 186 | 148 Ų | 148 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | trans | -76.7 | 115.7 | 168.5 | -157.2 | -122 | 0 | 0 | 0 | 107.4 | ||||
| 28 | H | 48.7 | Very low | 48.1 | Very low | 162 Ų | 162 | 145.6 Ų | 145.6 | 75% | 0.75 | 80% | 0.798 | S | S | * | * | trans | -89.4 | 121.4 | 172 | -96.7 | -105.3 | 0 | 0 | 0 | 109.3 | ||||
| 29 | P | 49.3 | Very low | 48.1 | Very low | 110 Ų | 110 | 142.3 Ų | 142.3 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | trans | -81.3 | 147.1 | 169.4 | 32.3 | -30.2 | 0 | 0 | 0 | 111.1 | ||||
| 30 | S | 43.7 | Very low | 48.3 | Very low | 109 Ų | 109 | 142.3 Ų | 142.3 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | -39.1 | 131.3 | 175.2 | -41.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 31 | Q | 44.3 | Very low | 48.3 | Very low | 171 Ų | 171 | 141.9 Ų | 141.9 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | trans | -136.1 | 103.2 | 150.4 | -75.9 | -64.1 | -15.8 | 0 | 0 | 108.1 | ||||
| 32 | E | 46.7 | Very low | 48.5 | Very low | 166 Ų | 166 | 138.6 Ų | 138.6 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -44.9 | 137.3 | 157.6 | 57.9 | -151.1 | 82.4 | 0 | 0 | 112.2 | ||||
| 33 | S | 38.6 | Very low | 47.8 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -152.8 | 149.2 | 166.2 | -86.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 34 | P | 54.3 | Low | 47.7 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | -103 | 152.6 | -115.4 | 34.3 | -34.3 | 0 | 0 | 0 | 113.8 | L36 | P34-L36 PolarHBondContact O-N 2.8Š| |||
| 35 | T | 49.7 | Very low | 47.5 | Very low | 142 Ų | 142 | 132.8 Ų | 132.8 | 87% | 0.871 | 79% | 0.791 | S | S | * | * | trans | -40.7 | 119.8 | 165.1 | 18.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 36 | L | 50.6 | Low | 47.6 | Very low | 167 Ų | 167 | 138.6 Ų | 138.6 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | -65.6 | 127.4 | 161.7 | -85.5 | 160.1 | 0 | 0 | 0 | 109.1 | P34 E38 | P34-L36 PolarHBondContact O-N 2.8Å; L36-E38 PolarHBondContact O-N 2.99Å | ||
| 37 | P | 60.7 | Low | 47.4 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | trans | -73.3 | 127.5 | 169.4 | 27.6 | -30.3 | 0 | 0 | 0 | 110.4 | S39 | P37-S39 PolarHBondContact O-N 3.46Š| ||
| 38 | E | 43.5 | Very low | 47.5 | Very low | 173 Ų | 173 | 137.6 Ų | 137.6 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | trans | -52.7 | 109.7 | 164 | -173.4 | 178.8 | 99.7 | 0 | 0 | 109.7 | L36 S40 | L36-E38 PolarHBondContact O-N 2.99Å; E38-S40 PolarHBondContact O-N 3.48Å | ||
| 39 | S | 51.4 | Low | 47.9 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -70.5 | 98.7 | 168.3 | -69.5 | 0 | 0 | 0 | 0 | 108.7 | P37 | P37-S39 PolarHBondContact O-N 3.46Š| ||
| 40 | S | 45.9 | Very low | 47.5 | Very low | 98 Ų | 98 | 135.3 Ų | 135.3 | 69% | 0.685 | 80% | 0.803 | S | S | * | * | trans | -60.3 | 145.8 | 168.7 | -96.8 | 0 | 0 | 0 | 0 | 112.3 | E38 | E38-S40 PolarHBondContact O-N 3.48Š| ||
| 41 | A | 50.2 | Low | 47.3 | Very low | 96 Ų | 96 | 134 Ų | 134 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | trans | -57.7 | 140.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 42 | T | 50.4 | Low | 46.9 | Very low | 137 Ų | 137 | 129.1 Ų | 129.1 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | trans | -169.6 | 134 | 153.4 | 9.7 | 0 | 0 | 0 | 0 | 102.4 | ||||
| 43 | D | 38.5 | Very low | 46.8 | Very low | 137 Ų | 137 | 128 Ų | 128 | 73% | 0.733 | 81% | 0.806 | S | S | * | * | cis | -176.2 | 140 | 27.6 | 154.5 | 60.7 | 0 | 0 | 0 | 103.3 | ||||
| 44 | S | 46.6 | Very low | 47.6 | Very low | 119 Ų | 119 | 127.8 Ų | 127.8 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | 175.2 | 110 | 151.3 | -83.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 45 | G | 43.4 | Very low | 47.2 | Very low | 73 Ų | 73 | 130.6 Ų | 130.6 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | trans | 107.5 | 72.8 | 134 | 0 | 0 | 0 | 0 | 0 | 117.6 | Y47 | G45-Y47 PolarHBondContact O-N 3.21Š| ||
| 46 | Y | 47.1 | Very low | 46.5 | Very low | 237 Ų | 237 | 127.6 Ų | 127.6 | 93% | 0.929 | 80% | 0.803 | S | S | * | * | trans | -56.3 | 107.3 | 146.2 | -99.2 | -101.8 | 0 | 0 | 0 | 110 | ||||
| 47 | Y | 46.4 | Very low | 46.1 | Very low | 216 Ų | 216 | 130.2 Ų | 130.2 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | trans | -177.1 | 112.7 | 134.6 | -127 | -101.1 | 0 | 0 | 0 | 109.9 | G45 | G45-Y47 PolarHBondContact O-N 3.21Š| ||
| 48 | S | 48.3 | Very low | 45 | Very low | 108 Ų | 108 | 130.9 Ų | 130.9 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | trans | -78.8 | 154.9 | 153 | -77.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 49 | P | 56.4 | Low | 44.9 | Very low | 118 Ų | 118 | 127.4 Ų | 127.4 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | -139.8 | 150.8 | 103.1 | 29.7 | -12.3 | 0 | 0 | 0 | 115.2 | |||||
| 50 | A | 42.1 | Very low | 44.8 | Very low | 106 Ų | 106 | 127.9 Ų | 127.9 | 88% | 0.876 | 80% | 0.803 | S | S | * | * | trans | 2.9 | 129.8 | 158.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 51 | G | 38.6 | Very low | 44.4 | Very low | 82 Ų | 82 | 128.1 Ų | 128.1 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | trans | 170.3 | 64.5 | 161.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 52 | G | 35 | Very low | 43.8 | Very low | 68 Ų | 68 | 128.6 Ų | 128.6 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | trans | 63.2 | 107.7 | 139.1 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 53 | V | 46.2 | Very low | 43.2 | Very low | 141 Ų | 141 | 127.1 Ų | 127.1 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | trans | 70.3 | 160.2 | 131.2 | -117.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 54 | P | 54.8 | Low | 43.3 | Very low | 111 Ų | 111 | 126.1 Ų | 126.1 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | -124.3 | 175.9 | -97.2 | 43.1 | -26.8 | 0 | 0 | 0 | 115.8 | |||||
| 55 | H | 46.1 | Very low | 42.8 | Very low | 177 Ų | 177 | 124.3 Ų | 124.3 | 82% | 0.819 | 79% | 0.789 | S | S | * | * | trans | -9.1 | 139.7 | 161.3 | -79 | -97.1 | 0 | 0 | 0 | 121 | ||||
| 56 | G | 34.1 | Very low | 42.3 | Very low | 80 Ų | 80 | 132 Ų | 132 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -170.2 | 100.2 | 155.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 57 | Y | 43.7 | Very low | 42 | Very low | 221 Ų | 221 | 123.7 Ų | 123.7 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | trans | -81.9 | 138.9 | 160.9 | -73.7 | -96.2 | 0 | 0 | 0 | 109 | ||||
| 58 | C | 35.9 | Very low | 42.2 | Very low | 129 Ų | 129 | 123.3 Ų | 123.3 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | trans | 170 | 147 | 130.1 | -157.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 59 | S | 42.7 | Very low | 43.1 | Very low | 100 Ų | 100 | 123.1 Ų | 123.1 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | -55 | 175.2 | -170.2 | -46.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 60 | P | 49.2 | Very low | 42.1 | Very low | 132 Ų | 132 | 124.9 Ų | 124.9 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | trans | -122.9 | 131.2 | 144.5 | 34.6 | -22 | 0 | 0 | 0 | 113.2 | ||||
| 61 | S | 36.2 | Very low | 41.9 | Very low | 103 Ų | 103 | 126.9 Ų | 126.9 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | -91 | 152.4 | 167 | -44 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 62 | S | 37.8 | Very low | 41.8 | Very low | 105 Ų | 105 | 127 Ų | 127 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | 63.6 | 105.2 | 152.3 | 32.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 63 | S | 39.2 | Very low | 41.7 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | 74.6 | 114.3 | 77.7 | 73.1 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 64 | S | 38.7 | Very low | 41.5 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | 70.3 | 110.9 | 137.5 | -88.6 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 65 | S | 36.5 | Very low | 40.4 | Very low | 82 Ų | 82 | 141.4 Ų | 141.4 | 57% | 0.573 | 79% | 0.787 | S | S | * | * | 99.8 | 137.4 | 102.8 | -136.9 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 66 | Y | 34.3 | Very low | 40.1 | Very low | 233 Ų | 233 | 140.4 Ų | 140.4 | 91% | 0.914 | 78% | 0.782 | S | S | * | * | trans | 63 | 137.9 | 161.1 | -58.9 | -71.1 | 0 | 0 | 0 | 117.3 | ||||
| 67 | G | 39.4 | Very low | 40.1 | Very low | 64 Ų | 64 | 147.5 Ų | 147.5 | 66% | 0.66 | 79% | 0.786 | S | S | * | * | cis | 135.6 | 128.6 | 6.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 68 | K | 51 | Low | 40.3 | Very low | 207 Ų | 207 | 142.4 Ų | 142.4 | 90% | 0.9 | 78% | 0.78 | S | S | * | * | trans | 94.5 | 168.6 | 158.6 | -54.4 | -161.7 | 174.2 | -173.6 | 0 | 119.4 | ||||
| 69 | P | 66.3 | Low | 40.3 | Very low | 105 Ų | 105 | 139.7 Ų | 139.7 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | -141.8 | -174 | -64.4 | 43.3 | -25.9 | 0 | 0 | 0 | 112.5 | |||||
| 70 | L | 37.2 | Very low | 40.4 | Very low | 154 Ų | 154 | 142.3 Ų | 142.3 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | trans | 155.3 | 140.9 | 150.4 | -84.8 | 151.8 | 0 | 0 | 0 | 107.9 | ||||
| 71 | N | 37.5 | Very low | 40 | Very low | 149 Ų | 149 | 144 Ų | 144 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | cis | -158.8 | 161.4 | 9.9 | -139.8 | -14.8 | 0 | 0 | 0 | 110.3 | ||||
| 72 | A | 35.1 | Very low | 40.1 | Very low | 83 Ų | 83 | 142.5 Ų | 142.5 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | trans | -95.5 | 152.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 73 | Y | 33.1 | Very low | 40.3 | Very low | 242 Ų | 242 | 143 Ų | 143 | 95% | 0.949 | 79% | 0.791 | S | S | * | * | trans | -124.6 | 139.1 | 159.4 | -99.9 | -82.7 | 0 | 0 | 0 | 110.7 | ||||
| 74 | Q | 42 | Very low | 40.6 | Very low | 148 Ų | 148 | 143 Ų | 143 | 69% | 0.692 | 80% | 0.798 | S | S | * | * | trans | -114.9 | 142.8 | -164.3 | 167.8 | 167.3 | -31.9 | 0 | 0 | 109.9 | ||||
| 75 | Y | 32 | Very low | 40.7 | Very low | 233 Ų | 233 | 140.2 Ų | 140.2 | 91% | 0.914 | 79% | 0.787 | S | S | * | * | trans | -142 | 131.4 | 163.5 | -108 | -86.8 | 0 | 0 | 0 | 111.6 | ||||
| 76 | Q | 40.4 | Very low | 41.3 | Very low | 157 Ų | 157 | 144.4 Ų | 144.4 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | -94.9 | 152 | -177 | -82.8 | 166.3 | -43.4 | 0 | 0 | 112 | ||||
| 77 | Y | 34.7 | Very low | 41.7 | Very low | 228 Ų | 228 | 143.1 Ų | 143.1 | 89% | 0.894 | 80% | 0.798 | S | S | * | * | trans | -135.1 | 157.1 | 156.5 | -100.9 | -91.4 | 0 | 0 | 0 | 110.6 | ||||
| 78 | P | 47.5 | Very low | 41.6 | Very low | 115 Ų | 115 | 146.2 Ų | 146.2 | 75% | 0.747 | 80% | 0.804 | S | S | * | * | trans | -104.9 | 154.4 | -149.4 | 38.1 | -31.6 | 0 | 0 | 0 | 115.5 | ||||
| 79 | G | 36.5 | Very low | 40.9 | Very low | 72 Ų | 72 | 142.1 Ų | 142.1 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | trans | 86.7 | 96.3 | 136 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 80 | V | 44.8 | Very low | 39.7 | Very low | 154 Ų | 154 | 146.3 Ų | 146.3 | 93% | 0.933 | 80% | 0.804 | S | S | * | * | -155.5 | 147.7 | 109.5 | -64.6 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 81 | N | 40.6 | Very low | 39.5 | Very low | 168 Ų | 168 | 144 Ų | 144 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | trans | -88 | 139.3 | -163.3 | -165.6 | 4 | 0 | 0 | 0 | 112.5 | ||||
| 82 | G | 37.5 | Very low | 39.3 | Very low | 72 Ų | 72 | 148 Ų | 148 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | trans | 160.7 | 102.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 83 | S | 42.8 | Very low | 39.6 | Very low | 115 Ų | 115 | 148.8 Ų | 148.8 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -65 | 143.2 | -162.2 | -68.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 84 | A | 44.8 | Very low | 39.9 | Very low | 108 Ų | 108 | 144 Ų | 144 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | trans | 82.4 | 115.5 | 138.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 85 | G | 41 | Very low | 39.8 | Very low | 55 Ų | 55 | 146.1 Ų | 146.1 | 57% | 0.567 | 80% | 0.801 | S | S | * | * | trans | 152.7 | 81.6 | 158.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y87 | G85-Y87 PolarHBondContact O-N 3.2Š| ||
| 86 | N | 49.8 | Very low | 40.2 | Very low | 170 Ų | 170 | 140 Ų | 140 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -68.4 | 115.9 | 176.3 | -73 | 9.4 | 0 | 0 | 0 | 111.3 | ||||
| 87 | Y | 42.7 | Very low | 40.2 | Very low | 206 Ų | 206 | 134.8 Ų | 134.8 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | trans | -151.6 | 125.1 | 150.2 | 40.8 | -89.5 | 0 | 0 | 0 | 110.8 | G85 T89 | G85-Y87 PolarHBondContact O-N 3.2Å; Y87-T89 PolarHBondContact O-N 2.9Å | ||
| 88 | T | 37.4 | Very low | 40.5 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | trans | -74.3 | 107.7 | 179.7 | -59.9 | 0 | 0 | 0 | 0 | 110.5 | K90 | T88-K90 HydrophobicContact CG2-CG 4.34Š| ||
| 89 | T | 34.8 | Very low | 40.3 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | trans | -82.8 | 124.4 | 159.7 | 175.6 | 0 | 0 | 0 | 0 | 108.9 | Y87 S91 | Y87-T89 PolarHBondContact O-N 2.9Å; T89-S91 PolarHBondContact O-N 2.8Å | ||
| 90 | K | 41.5 | Very low | 40.8 | Very low | 193 Ų | 193 | 137.9 Ų | 137.9 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | trans | -90 | 98.8 | 169.1 | -69.5 | -169.2 | 173.3 | -171.6 | 0 | 108.2 | T88 Y92 | T88-K90 HydrophobicContact CG2-CG 4.34Å; K90-Y92 PolarHBondContact O-N 2.8Å | ||
| 91 | S | 33.9 | Very low | 41.1 | Very low | 105 Ų | 105 | 136 Ų | 136 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | trans | -59.5 | 122 | 159.2 | 31.4 | 0 | 0 | 0 | 0 | 109.6 | T89 | T89-S91 PolarHBondContact O-N 2.8Š| ||
| 92 | Y | 31.9 | Very low | 40.9 | Very low | 234 Ų | 234 | 132.4 Ų | 132.4 | 92% | 0.918 | 76% | 0.76 | S | S | * | * | trans | -88.1 | 108.2 | 167.9 | -153.9 | -91.5 | 0 | 0 | 0 | 107.4 | K90 | K90-Y92 PolarHBondContact O-N 2.8Š| ||
| 93 | S | 42.4 | Very low | 41 | Very low | 99 Ų | 99 | 139.6 Ų | 139.6 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | trans | -69.8 | 130.2 | 171.9 | 30.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 94 | D | 38.3 | Very low | 40.9 | Very low | 141 Ų | 141 | 142.5 Ų | 142.5 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | trans | -24.7 | 126.4 | 148.6 | -141.2 | -66.8 | 0 | 0 | 0 | 113.1 | S96 | D94-S96 PolarHBondContact OD1-N 3.35Š| ||
| 95 | Y | 40.3 | Very low | 40.4 | Very low | 193 Ų | 193 | 145.3 Ų | 145.3 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | trans | -131.6 | 77.8 | 160.3 | -149.1 | -99.6 | 0 | 0 | 0 | 109.5 | S97 | Y95-S97 WeakPolarHBondContact CE1-OG 3.41Å; Y95-S97 VanDerWaalsContact CZ-OG 3.32Å | ||
| 96 | S | 40.6 | Very low | 40.3 | Very low | 103 Ų | 103 | 154.2 Ų | 154.2 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | trans | -66.6 | 111.3 | 149.2 | -166.2 | 0 | 0 | 0 | 0 | 109 | D94 | D94-S96 PolarHBondContact OD1-N 3.35Š| ||
| 97 | S | 40.7 | Very low | 39.9 | Very low | 48 Ų | 48 | 151.1 Ų | 151.1 | 34% | 0.336 | 78% | 0.778 | S | S | . | * | trans | 173.8 | 93.5 | 149.9 | 40.5 | 0 | 0 | 0 | 0 | 111.3 | Y95 | Y95-S97 WeakPolarHBondContact CE1-OG 3.41Å; Y95-S97 VanDerWaalsContact CZ-OG 3.32Å | ||
| 98 | Y | 39.9 | Very low | 39.6 | Very low | 229 Ų | 229 | 144.7 Ų | 144.7 | 90% | 0.898 | 77% | 0.774 | S | S | * | * | trans | -121 | 80.4 | 151.4 | -59.3 | -70.3 | 0 | 0 | 0 | 107.2 | ||||
| 99 | T | 44.7 | Very low | 39.9 | Very low | 128 Ų | 128 | 145.1 Ų | 145.1 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | -81.2 | 125.5 | 167.8 | -33.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 100 | T | 47.4 | Very low | 40.4 | Very low | 124 Ų | 124 | 149.8 Ų | 149.8 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | trans | -47.9 | 139.7 | 176 | -32.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 101 | P | 49.9 | Very low | 40.6 | Very low | 114 Ų | 114 | 146.4 Ų | 146.4 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | trans | -88.3 | 112.9 | 161.1 | 31.7 | -24.4 | 0 | 0 | 0 | 109.4 | ||||
| 102 | A | 35.7 | Very low | 40.8 | Very low | 93 Ų | 93 | 152 Ų | 152 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -83.8 | 113.2 | 162 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 103 | Y | 41.3 | Very low | 41.6 | Very low | 223 Ų | 223 | 147.3 Ų | 147.3 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | trans | -107.8 | 100.1 | 164.3 | -107.8 | -90.2 | 0 | 0 | 0 | 107.8 | ||||
| 104 | H | 40.1 | Very low | 41.8 | Very low | 175 Ų | 175 | 151.1 Ų | 151.1 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | trans | -120.6 | 117.5 | 154.6 | -81.8 | -81.6 | 0 | 0 | 0 | 106 | ||||
| 105 | Q | 35.2 | Very low | 41.9 | Very low | 168 Ų | 168 | 149 Ų | 149 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | 172.7 | 99.5 | 129 | -147.8 | 99.5 | 15.8 | 0 | 0 | 109.1 | |||||
| 106 | Y | 38.1 | Very low | 42 | Very low | 242 Ų | 242 | 147.4 Ų | 147.4 | 95% | 0.949 | 79% | 0.792 | S | S | * | * | trans | -146.4 | 122.1 | 135.9 | -79.7 | -68.1 | 0 | 0 | 0 | 107.5 | ||||
| 107 | A | 41.4 | Very low | 42.3 | Very low | 104 Ų | 104 | 148 Ų | 148 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -69.5 | 142.3 | 178 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 108 | G | 36.6 | Very low | 42 | Very low | 71 Ų | 71 | 150 Ų | 150 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | trans | -159.8 | 103.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 109 | T | 43.8 | Very low | 42.4 | Very low | 139 Ų | 139 | 144.8 Ų | 144.8 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -73.5 | 126.3 | 179.5 | 47.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 110 | Y | 44.8 | Very low | 42.3 | Very low | 220 Ų | 220 | 147.6 Ų | 147.6 | 86% | 0.863 | 81% | 0.806 | S | S | * | * | trans | -157.5 | 122.7 | 137.3 | 51.5 | -90.9 | 0 | 0 | 0 | 110.2 | ||||
| 111 | S | 45.5 | Very low | 42.2 | Very low | 122 Ų | 122 | 151 Ų | 151 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | -62.1 | 136 | 170.1 | -62.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 112 | R | 39.1 | Very low | 42 | Very low | 222 Ų | 222 | 154 Ų | 154 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | trans | -149.6 | 107.8 | 146.3 | -175 | 170.4 | -85.2 | -154.6 | -3.7 | 109.7 | ||||
| 113 | V | 48 | Very low | 42.4 | Very low | 136 Ų | 136 | 156.8 Ų | 156.8 | 82% | 0.824 | 82% | 0.816 | S | S | * | * | trans | -69.8 | 126 | 169 | -179.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 114 | Q | 45.9 | Very low | 42.8 | Very low | 179 Ų | 179 | 152.8 Ų | 152.8 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | trans | -157.1 | 143.7 | 152.1 | -116.3 | 169.4 | 6 | 0 | 0 | 111.5 | ||||
| 115 | A | 40.3 | Very low | 43.4 | Very low | 96 Ų | 96 | 149.2 Ų | 149.2 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | trans | -82.1 | 157 | -150 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 116 | Q | 43.4 | Very low | 44.3 | Very low | 160 Ų | 160 | 148.8 Ų | 148.8 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | -51.9 | 152 | 163.2 | -94 | -87 | -41.8 | 0 | 0 | 113.3 | ||||
| 117 | P | 46.4 | Very low | 45.1 | Very low | 116 Ų | 116 | 142 Ų | 142 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | -141.5 | 138.2 | 100.8 | 34.7 | -19.2 | 0 | 0 | 0 | 116.7 | |||||
| 118 | S | 35.3 | Very low | 45.9 | Very low | 89 Ų | 89 | 142.5 Ų | 142.5 | 62% | 0.622 | 77% | 0.771 | S | S | * | * | trans | 66.2 | 127.3 | 151 | 74.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 119 | P | 47.7 | Very low | 46.9 | Very low | 120 Ų | 120 | 142.9 Ų | 142.9 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | trans | -83.1 | 123.1 | 170.2 | 31.5 | -27.4 | 0 | 0 | 0 | 110.7 | E121 | P119-E121 PolarHBondContact O-N 3.05Š| ||
| 120 | Q | 42.9 | Very low | 47.9 | Very low | 187 Ų | 187 | 143 Ų | 143 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | trans | -72.2 | 114.5 | 160.1 | -72.5 | 178.9 | -23.6 | 0 | 0 | 107.9 | K122 | Q120-K122 VanDerWaalsContact C-N 3.3Å; Q120-K122 PolarHBondContact O-N 3.24Å | ||
| 121 | E | 46 | Very low | 48.5 | Very low | 194 Ų | 194 | 139 Ų | 139 | 91% | 0.907 | 74% | 0.735 | S | S | * | * | trans | -60.2 | 92 | 170.4 | -67.7 | -177.2 | 144.8 | 0 | 0 | 109.2 | P119 D123 | P119-E121 PolarHBondContact O-N 3.05Å; E121-D123 PolarHBondContact O-N 2.84Å | ||
| 122 | K | 44.3 | Very low | 49.2 | Very low | 179 Ų | 179 | 136.9 Ų | 136.9 | 78% | 0.778 | 72% | 0.717 | S | S | * | * | trans | -87.6 | 102.1 | 162.2 | -151.9 | 167.8 | -169.2 | 172.9 | 0 | 105.2 | Q120 I124 | Q120-K122 VanDerWaalsContact C-N 3.3Å; Q120-K122 PolarHBondContact O-N 3.24Å; K122-I124 VanDerWaalsContact C-N 3.28Å; K122-I124 WeakPolarHBondContact O-CG1 3.13Å; K122-I124 PolarHBondContact O-N 2.93Å | ||
| 123 | D | 45.2 | Very low | 50.1 | Low | 150 Ų | 150 | 132.5 Ų | 132.5 | 80% | 0.802 | 71% | 0.71 | S | S | * | * | trans | -49.8 | 93 | 169.2 | -178.7 | 27.7 | 0 | 0 | 0 | 109.2 | E121 S125 | E121-D123 PolarHBondContact O-N 2.84Å; D123-S125 VanDerWaalsContact C-N 3.35Å; D123-S125 PolarHBondContact O-N 2.84Å | ||
| 124 | I | 48 | Very low | 50.9 | Low | 139 Ų | 139 | 128.8 Ų | 128.8 | 71% | 0.713 | 70% | 0.699 | S | S | * | * | trans | -84 | 92.1 | 173.9 | -68.8 | 152.8 | 0 | 0 | 0 | 104.2 | K122 E126 | K122-I124 VanDerWaalsContact C-N 3.28Å; K122-I124 WeakPolarHBondContact O-CG1 3.13Å; K122-I124 PolarHBondContact O-N 2.93Å; I124-E126 PolarHBondContact O-N 2.7Å | ||
| 125 | S | 52.6 | Low | 51.9 | Low | 101 Ų | 101 | 126.6 Ų | 126.6 | 71% | 0.706 | 69% | 0.687 | S | S | * | * | trans | -39.4 | 108.1 | 161.4 | 42.3 | 0 | 0 | 0 | 0 | 109.3 | D123 | D123-S125 VanDerWaalsContact C-N 3.35Å; D123-S125 PolarHBondContact O-N 2.84Å | ||
| 126 | E | 54.5 | Low | 53.1 | Low | 158 Ų | 158 | 126.8 Ų | 126.8 | 74% | 0.738 | 68% | 0.68 | S | S | * | * | trans | -55.9 | 126.4 | -177 | -160.4 | -153.2 | -170.4 | 0 | 0 | 108.1 | I124 E128 | I124-E126 PolarHBondContact O-N 2.7Å; E126-E128 VanDerWaalsContact C-N 3.27Å; E126-E128 PolarHBondContact O-N 2.92Å | ||
| 127 | P | 54.8 | Low | 54.4 | Low | 101 Ų | 101 | 125.1 Ų | 125.1 | 66% | 0.656 | 67% | 0.671 | S | S | * | * | trans | -69.2 | 92.7 | 175.5 | 28.2 | -32.8 | 0 | 0 | 0 | 107.7 | V129 | P127-V129 WeakPolarHBondContact O-CG2 2.94Å; P127-V129 PolarHBondContact O-N 3.04Å | ||
| 128 | E | 58.2 | Low | 55.9 | Low | 113 Ų | 113 | 129.2 Ų | 129.2 | 53% | 0.528 | 68% | 0.676 | S | S | . | * | trans | -45.6 | 101.7 | 178.6 | -170.4 | -172.5 | 151.4 | 0 | 0 | 109.8 | E126 R130 | E126-E128 VanDerWaalsContact C-N 3.27Å; E126-E128 PolarHBondContact O-N 2.92Å; E128-R130 VanDerWaalsContact C-N 3.26Å; E128-R130 HydrophobicContact CG-CG 4.17Å; E128-R130 PolarHBondContact O-N 3.2Å; E128-R130 IonicContact OE1-CZ 3.15Å; E128-R130 IonicContact OE1-NE 2.7Å; E128-R130 PolarHBondContact OE1-NE 3.31Å; E128-R130 IonicContact OE1-NH2 2.84Å; E128-R130 PolarHBondContact OE1-NH2 3.45Å; E128-R130 IonicContact OE2-CZ 3.59Å; E128-R130 IonicContact OE2-NE 3.86Å; E128-R130 IonicContact OE2-NH2 2.84Å; E128-R130 PolarHBondContact OE2-NH2 3.37Å | ||
| 129 | V | 59.1 | Low | 58 | Low | 80 Ų | 80 | 129.1 Ų | 129.1 | 49% | 0.485 | 67% | 0.672 | S | S | . | * | trans | -80.9 | 78.9 | -176.1 | -156.9 | 0 | 0 | 0 | 0 | 107 | P127 M131 P136 | P127-V129 WeakPolarHBondContact O-CG2 2.94Å; P127-V129 PolarHBondContact O-N 3.04Å; V129-M131 PolarHBondContact O-N 3.11Å; V129-P136 HydrophobicContact CG1-CB 3.78Å | ||
| 130 | R | 63.2 | Low | 59.7 | Low | 140 Ų | 140 | 134.2 Ų | 134.2 | 53% | 0.528 | 68% | 0.676 | S | S | . | * | trans | -64.1 | 112.4 | 175.1 | -72.6 | -174.4 | -177.9 | 132.6 | 11.9 | 109.6 | E128 V132 V139 | E128-R130 VanDerWaalsContact C-N 3.26Å; E128-R130 HydrophobicContact CG-CG 4.17Å; E128-R130 PolarHBondContact O-N 3.2Å; E128-R130 IonicContact OE1-CZ 3.15Å; E128-R130 IonicContact OE1-NE 2.7Å; E128-R130 PolarHBondContact OE1-NE 3.31Å; E128-R130 IonicContact OE1-NH2 2.84Å; E128-R130 PolarHBondContact OE1-NH2 3.45Å; E128-R130 IonicContact OE2-CZ 3.59Å; E128-R130 IonicContact OE2-NE 3.86Å; E128-R130 IonicContact OE2-NH2 2.84Å; E128-R130 PolarHBondContact OE2-NH2 3.37Å; R130-V132 PolarHBondContact O-N 3.37Å; R130-V139 HydrophobicContact CB-CG2 4.16Å | ||
| 131 | M | 58.3 | Low | 61.7 | Low | 137 Ų | 137 | 134.3 Ų | 134.3 | 68% | 0.675 | 67% | 0.673 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -73 | 107 | 174.9 | -59.4 | -167.5 | 76.4 | 0 | 0 | 109.1 | V129 | V129-M131 PolarHBondContact O-N 3.11Å |
| 132 | V | 60.9 | Low | 63.6 | Low | 77 Ų | 77 | 130.8 Ų | 130.8 | 47% | 0.467 | 67% | 0.667 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.4 | 113.1 | 170.5 | -179.6 | 0 | 0 | 0 | 0 | 107.4 | R130 | R130-V132 PolarHBondContact O-N 3.37Å |
| 133 | N | 57.3 | Low | 65.9 | Low | 131 Ų | 131 | 133.8 Ų | 133.8 | 70% | 0.701 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.3 | 31 | -175.9 | -59.4 | 92.6 | 0 | 0 | 0 | 116.2 | K135 | N133-K135 VanDerWaalsContact C-N 3.28Å; N133-K135 WeakPolarHBondContact O-CD 3.39Å; N133-K135 PolarHBondContact O-N 3.03Å; N133-K135 PolarHBondContact O-NZ 2.99Å |
| 134 | G | 65.6 | Low | 68 | Low | 58 Ų | 58 | 131.9 Ų | 131.9 | 60% | 0.598 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.3 | 6.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 135 | K | 66.8 | Low | 70.3 | Confident | 132 Ų | 132 | 132.5 Ų | 132.5 | 57% | 0.574 | 67% | 0.671 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.2 | 134.5 | 171 | -60.6 | 101.9 | -175 | 165.8 | 0 | 109.9 | N133 K137 | N133-K135 VanDerWaalsContact C-N 3.28Å; N133-K135 WeakPolarHBondContact O-CD 3.39Å; N133-K135 PolarHBondContact O-N 3.03Å; N133-K135 PolarHBondContact O-NZ 2.99Å; K135-K137 PolarHBondContact O-N 3.23Å |
| 136 | P | 64.2 | Low | 72.4 | Confident | 101 Ų | 101 | 130.3 Ų | 130.3 | 66% | 0.656 | 65% | 0.647 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -66.5 | 99.4 | 174.7 | 26.5 | -32 | 0 | 0 | 0 | 109.4 | V129 | V129-P136 HydrophobicContact CG1-CB 3.78Å |
| 137 | K | 71.7 | Confident | 74.5 | Confident | 125 Ų | 125 | 125.4 Ų | 125.4 | 54% | 0.543 | 63% | 0.631 | S | S | . | * | trans | -93.8 | 118.6 | 171.8 | -74.4 | -176.3 | 176.4 | 177.8 | 0 | 108.1 | K135 V139 | K135-K137 PolarHBondContact O-N 3.23Å; K137-V139 PolarHBondContact O-N 2.95Å | ||
| 138 | K | 78.2 | Confident | 76.6 | Confident | 201 Ų | 201 | 125.6 Ų | 125.6 | 87% | 0.874 | 63% | 0.634 | S | S | * | * | trans | -59.4 | 112.2 | 172.8 | -59.2 | -173.4 | -178.1 | -160.7 | 0 | 108.4 | R140 | K138-R140 PolarHBondContact O-N 3.36Š| ||
| 139 | V | 78.9 | Confident | 78.5 | Confident | 88 Ų | 88 | 127 Ų | 127 | 53% | 0.533 | 64% | 0.639 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 123.2 | 177 | 179.7 | 0 | 0 | 0 | 0 | 108 | R130 K137 | R130-V139 HydrophobicContact CB-CG2 4.16Å; K137-V139 PolarHBondContact O-N 2.95Å |
| 140 | R | 83.8 | Confident | 80.3 | Confident | 226 Ų | 226 | 124.8 Ų | 124.8 | 85% | 0.853 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 142.5 | 176.9 | -63.8 | 178.5 | 78.6 | 117.9 | -0.7 | 108.4 | K138 | K138-R140 PolarHBondContact O-N 3.36Š|
| 141 | K | 84.4 | Confident | 82 | Confident | 190 Ų | 190 | 121.6 Ų | 121.6 | 83% | 0.826 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 133.7 | 175.6 | -75.2 | 85.2 | 164.2 | -175.2 | 0 | 109.6 | ||
| 142 | P | 86.8 | Confident | 83.9 | Confident | 119 Ų | 119 | 117.7 Ų | 117.7 | 77% | 0.773 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 143.4 | 174.4 | 24.3 | -32.9 | 0 | 0 | 0 | 109.8 | T144 | P142-T144 PolarHBondContact O-N 3.32Š|
| 143 | R | 90.7 | Very high | 85.7 | Confident | 242 Ų | 242 | 115.1 Ų | 115.1 | 91% | 0.913 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 128.8 | 178.1 | -69.1 | -178.8 | 179.7 | 149.3 | -0.8 | 109.2 | ||
| 144 | T | 90.9 | Very high | 87.7 | Confident | 110 Ų | 110 | 108.9 Ų | 108.9 | 68% | 0.675 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 136.4 | 170.2 | -47.1 | 0 | 0 | 0 | 0 | 110.1 | P142 | P142-T144 PolarHBondContact O-N 3.32Š|
| 145 | I | 94.8 | Very high | 89.2 | Confident | 152 Ų | 152 | 108.5 Ų | 108.5 | 78% | 0.779 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -103.4 | 142.1 | 171 | 59.8 | 173.9 | 0 | 0 | 0 | 109.9 | ||
| 146 | Y | 97.8 | Very high | 90.7 | Very high | 56 Ų | 56 | 110.8 Ų | 110.8 | 22% | 0.22 | 55% | 0.547 | C | S | . | . | P | Polyproline II helix | trans | -83.1 | 145.9 | 174.4 | -57.6 | -56.6 | 0 | 0 | 0 | 110.3 | Q150 L151 L178 Q182 W186 | Y146-Q150 VanDerWaalsContact CA-OE1 3.32Å; Y146-L151 HydrophobicContact CD2-CD2 4.17Å; Y146-L178 HydrophobicContact CD1-CD1 4.05Å; Y146-L178 HydrophobicContact CD1-CD2 3.81Å; Y146-L178 HydrophobicContact CE1-CD1 4.01Å; Y146-L178 HydrophobicContact CE1-CD2 3.79Å; Y146-Q182 HydrophobicContact CE1-CB 4.33Å; Y146-Q182 HydrophobicContact CE1-CG 4.45Å; Y146-Q182 WeakPolarHBondContact OH-CB 3.34Å; Y146-W186 AromaticContact CD2-CD1 3.86Å; Y146-W186 AromaticContact CE2-CD1 3.7Å |
| 147 | S | 98.4 | Very high | 92.3 | Very high | 55 Ų | 55 | 109.6 Ų | 109.6 | 39% | 0.385 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -70 | 162.3 | 175.8 | 76.4 | 0 | 0 | 0 | 0 | 111.9 | F149 Q150 L151 | S147-F149 VanDerWaalsContact C-N 3.3Å; S147-F149 PolarHBondContact O-N 3.28Å; S147-Q150 PolarHBondContact O-N 3.36Å; S147-Q150 WeakPolarHBondContact OG-CG 3.43Å; S147-Q150 PolarHBondContact OG-N 2.94Å; S147-L151 WeakPolarHBondContact O-CG 3.39Å; S147-L151 PolarHBondContact O-N 3.48Å |
| 148 | S | 97.9 | Very high | 93.6 | Very high | 105 Ų | 105 | 104 Ų | 104 | 73% | 0.734 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -56.7 | -43.6 | 175.9 | 53.5 | 0 | 0 | 0 | 0 | 112.2 | Q150 L151 A152 | S148-Q150 PolarHBondContact O-N 3.47Å; S148-L151 PolarHBondContact O-N 3.27Å; S148-A152 WeakPolarHBondContact O-CB 3.4Å; S148-A152 PolarHBondContact O-N 3.43Å |
| 149 | F | 98.3 | Very high | 94.5 | Very high | 141 Ų | 141 | 99.7 Ų | 99.7 | 62% | 0.618 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -58.3 | -47.6 | 175.3 | 172.6 | -100.8 | 0 | 0 | 0 | 112.1 | S147 L151 A152 A153 L176 | S147-F149 VanDerWaalsContact C-N 3.3Å; S147-F149 PolarHBondContact O-N 3.28Å; F149-L151 PolarHBondContact O-N 3.01Å; F149-A152 PolarHBondContact O-N 2.96Å; F149-A153 PolarHBondContact O-N 3.1Å; F149-L176 HydrophobicContact CD1-CD2 4.28Å; F149-L176 HydrophobicContact CE1-CD2 3.71Å; F149-L176 HydrophobicContact CZ-CD2 4.38Å |
| 150 | Q | 98.6 | Very high | 95.4 | Very high | 34 Ų | 34 | 101.3 Ų | 101.3 | 16% | 0.159 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -60.8 | -45.6 | 178.4 | -71.6 | 171.4 | -20.6 | 0 | 0 | 111.4 | Y146 S147 S148 A152 A153 L154 L176 | Y146-Q150 VanDerWaalsContact CA-OE1 3.32Å; S147-Q150 PolarHBondContact O-N 3.36Å; S147-Q150 WeakPolarHBondContact OG-CG 3.43Å; S147-Q150 PolarHBondContact OG-N 2.94Å; S148-Q150 PolarHBondContact O-N 3.47Å; Q150-A152 PolarHBondContact O-N 2.88Å; Q150-A153 PolarHBondContact O-N 3.17Å; Q150-L154 WeakPolarHBondContact O-CB 3.3Å; Q150-L154 WeakPolarHBondContact O-CD1 3.47Å; Q150-L154 WeakPolarHBondContact O-CG 3.33Å; Q150-L154 PolarHBondContact O-N 3.03Å; Q150-L176 HydrophobicContact CG-CB 4.35Å; Q150-L176 PolarHBondContact NE2-O 3.49Å |
| 151 | L | 98.4 | Very high | 96 | Very high | 73 Ų | 73 | 92.7 Ų | 92.7 | 38% | 0.382 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 178.4 | -68.4 | 175.3 | 0 | 0 | 0 | 112.2 | Y146 S147 S148 F149 L154 Q155 | Y146-L151 HydrophobicContact CD2-CD2 4.17Å; S147-L151 WeakPolarHBondContact O-CG 3.39Å; S147-L151 PolarHBondContact O-N 3.48Å; S148-L151 PolarHBondContact O-N 3.27Å; F149-L151 PolarHBondContact O-N 3.01Å; L151-L154 PolarHBondContact O-N 2.86Å; L151-Q155 VanDerWaalsContact O-CB 3.26Å; L151-Q155 WeakPolarHBondContact O-CB 3.34Å; L151-Q155 PolarHBondContact O-N 3.31Å |
| 152 | A | 98.4 | Very high | 96.7 | Very high | 55 Ų | 55 | 87.5 Ų | 87.5 | 46% | 0.455 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S148 F149 Q150 Q155 R156 | S148-A152 WeakPolarHBondContact O-CB 3.4Å; S148-A152 PolarHBondContact O-N 3.43Å; F149-A152 PolarHBondContact O-N 2.96Å; Q150-A152 PolarHBondContact O-N 2.88Å; A152-Q155 PolarHBondContact O-N 3.12Å; A152-R156 WeakPolarHBondContact O-CB 3.44Å; A152-R156 PolarHBondContact O-N 3.49Å |
| 153 | A | 98.3 | Very high | 97.2 | Very high | 24 Ų | 24 | 89 Ų | 89 | 20% | 0.198 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -65.6 | -44.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F149 Q150 Q155 R156 R157 L176 | F149-A153 PolarHBondContact O-N 3.1Å; Q150-A153 PolarHBondContact O-N 3.17Å; A153-Q155 VanDerWaalsContact C-N 3.32Å; A153-Q155 PolarHBondContact O-N 3.03Å; A153-R156 PolarHBondContact O-N 3.15Å; A153-R157 PolarHBondContact O-N 2.89Å; A153-L176 HydrophobicContact CB-CD1 4.07Å; A153-L176 HydrophobicContact CB-CD2 3.61Å; A153-L176 HydrophobicContact CB-CG 4.43Å |
| 154 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59 | -44.6 | 174.8 | -72.7 | 165 | 0 | 0 | 0 | 111.3 | Q150 L151 R157 F158 L172 L176 L178 V183 W186 F187 | Q150-L154 WeakPolarHBondContact O-CB 3.3Å; Q150-L154 WeakPolarHBondContact O-CD1 3.47Å; Q150-L154 WeakPolarHBondContact O-CG 3.33Å; Q150-L154 PolarHBondContact O-N 3.03Å; L151-L154 PolarHBondContact O-N 2.86Å; L154-R157 PolarHBondContact O-N 3.49Å; L154-F158 WeakPolarHBondContact O-CB 3.15Å; L154-F158 PolarHBondContact O-N 3.03Å; L154-L172 HydrophobicContact CD2-CD2 3.96Å; L154-L176 HydrophobicContact CD2-CD1 4.03Å; L154-L176 HydrophobicContact CG-CD1 3.82Å; L154-L178 HydrophobicContact CD1-CD1 4.3Å; L154-V183 HydrophobicContact CD2-CG1 4.28Å; L154-V183 HydrophobicContact CD2-CG2 4.49Å; L154-W186 HydrophobicContact CB-CD2 3.98Å; L154-W186 HydrophobicContact CB-CE3 3.95Å; L154-W186 HydrophobicContact CB-CH2 3.72Å; L154-W186 HydrophobicContact CB-CZ2 3.72Å; L154-W186 HydrophobicContact CB-CZ3 3.83Å; L154-W186 HydrophobicContact CD1-CD2 3.89Å; L154-W186 HydrophobicContact CD1-CG 3.86Å; L154-W186 HydrophobicContact CD2-CD2 4.38Å; L154-W186 HydrophobicContact CD2-CE3 4.29Å; L154-W186 HydrophobicContact CG-CD2 4.31Å; L154-W186 HydrophobicContact CG-CE3 4.5Å; L154-F187 HydrophobicContact CD2-CE2 3.94Å |
| 155 | Q | 98.3 | Very high | 97.9 | Very high | 50 Ų | 50 | 75.5 Ų | 75.5 | 23% | 0.234 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.1 | -44.2 | 177.8 | -177.1 | 65.3 | 14.5 | 0 | 0 | 111.9 | L151 A152 A153 R157 F158 Q159 W186 | L151-Q155 VanDerWaalsContact O-CB 3.26Å; L151-Q155 WeakPolarHBondContact O-CB 3.34Å; L151-Q155 PolarHBondContact O-N 3.31Å; A152-Q155 PolarHBondContact O-N 3.12Å; A153-Q155 VanDerWaalsContact C-N 3.32Å; A153-Q155 PolarHBondContact O-N 3.03Å; Q155-R157 PolarHBondContact O-N 3.47Å; Q155-F158 WeakPolarHBondContact O-CB 3.44Å; Q155-F158 PolarHBondContact O-N 2.99Å; Q155-Q159 WeakPolarHBondContact O-CG 3.37Å; Q155-Q159 PolarHBondContact O-N 3.38Å; Q155-Q159 VanDerWaalsContact O-N 3.11Å; Q155-W186 HydrophobicContact CB-CH2 4.47Å |
| 156 | R | 98.2 | Very high | 98 | Very high | 180 Ų | 180 | 73.6 Ų | 73.6 | 68% | 0.679 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -58.7 | -47.4 | 176.5 | -173.7 | -174.9 | -62.2 | 176.1 | -0.1 | 111.2 | A152 A153 F158 Q159 | A152-R156 WeakPolarHBondContact O-CB 3.44Å; A152-R156 PolarHBondContact O-N 3.49Å; A153-R156 PolarHBondContact O-N 3.15Å; R156-F158 VanDerWaalsContact C-N 3.3Å; R156-F158 PolarHBondContact O-N 3.46Å; R156-Q159 PolarHBondContact O-N 3.33Å |
| 157 | R | 98 | Very high | 98 | Very high | 75 Ų | 75 | 74.9 Ų | 74.9 | 28% | 0.283 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.6 | -36.4 | 177.3 | -172 | 63 | 175.2 | -135.5 | 4.6 | 111.9 | A153 L154 Q155 Q159 N160 T161 L164 E168 L172 F187 | A153-R157 PolarHBondContact O-N 2.89Å; L154-R157 PolarHBondContact O-N 3.49Å; Q155-R157 PolarHBondContact O-N 3.47Å; R157-Q159 VanDerWaalsContact C-N 3.32Å; R157-Q159 PolarHBondContact O-N 2.93Å; R157-N160 PolarHBondContact O-N 2.72Å; R157-T161 PolarHBondContact NE-OG1 3.07Å; R157-T161 PolarHBondContact O-N 3.02Å; R157-T161 PolarHBondContact O-OG1 2.94Å; R157-L164 HydrophobicContact CG-CD2 3.86Å; R157-E168 IonicContact CZ-OE1 3.91Å; R157-E168 VanDerWaalsContact NH2-CD 3.35Å; R157-E168 IonicContact NH2-OE1 2.72Å; R157-E168 PolarHBondContact NH2-OE1 3.42Å; R157-L172 HydrophobicContact CB-CD2 4.18Å; R157-L172 HydrophobicContact CG-CD2 4.1Å; R157-F187 HydrophobicContact CB-CZ 4.36Å; R157-F187 HydrophobicContact CG-CZ 4.25Å |
| 158 | F | 98.3 | Very high | 98 | Very high | 7 Ų | 7 | 74.7 Ų | 74.7 | 3% | 0.031 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.8 | -34.1 | 178.6 | -173.3 | -93.8 | 0 | 0 | 0 | 113.6 | L154 Q155 R156 N160 T161 Q162 W186 F187 R190 R191 M194 | L154-F158 WeakPolarHBondContact O-CB 3.15Å; L154-F158 PolarHBondContact O-N 3.03Å; Q155-F158 WeakPolarHBondContact O-CB 3.44Å; Q155-F158 PolarHBondContact O-N 2.99Å; R156-F158 VanDerWaalsContact C-N 3.3Å; R156-F158 PolarHBondContact O-N 3.46Å; F158-N160 VanDerWaalsContact C-N 3.25Å; F158-N160 PolarHBondContact O-N 3.23Å; F158-T161 CarbonylContact O-C 3.56Å; F158-Q162 HydrophobicContact CE1-CG 4.09Å; F158-Q162 HydrophobicContact CE2-CB 3.9Å; F158-Q162 HydrophobicContact CE2-CG 4.1Å; F158-Q162 HydrophobicContact CZ-CB 4.04Å; F158-Q162 HydrophobicContact CZ-CG 3.8Å; F158-W186 HydrophobicContact CB-CH2 4.42Å; F158-W186 HydrophobicContact CB-CZ3 4.12Å; F158-W186 HydrophobicContact CD2-CZ3 4.35Å; F158-W186 HydrophobicContact CG-CZ3 4.42Å; F158-F187 HydrophobicContact CB-CE1 4.26Å; F158-F187 HydrophobicContact CB-CZ 4.41Å; F158-F187 AromaticContact CD2-CD1 3.8Å; F158-F187 HydrophobicContact CD2-CD1 3.8Å; F158-F187 AromaticContact CD2-CE1 3.8Å; F158-F187 HydrophobicContact CD2-CE1 3.8Å; F158-F187 HydrophobicContact CE2-CD1 4.39Å; F158-R190 HydrophobicContact CD1-CG 3.75Å; F158-R190 HydrophobicContact CD2-CB 4.18Å; F158-R190 HydrophobicContact CD2-CG 3.65Å; F158-R190 HydrophobicContact CE1-CG 3.66Å; F158-R190 HydrophobicContact CE2-CB 3.98Å; F158-R190 HydrophobicContact CE2-CG 3.56Å; F158-R190 HydrophobicContact CG-CG 3.75Å; F158-R190 HydrophobicContact CZ-CB 4.32Å; F158-R190 HydrophobicContact CZ-CG 3.56Å; F158-R191 HydrophobicContact CE2-CG 3.72Å; F158-R191 HydrophobicContact CZ-CG 3.99Å; F158-M194 HydrophobicContact CE1-SD 4.08Å; F158-M194 HydrophobicContact CZ-CE 4.36Å; F158-M194 HydrophobicContact CZ-SD 4.19Å |
| 159 | Q | 97.8 | Very high | 98.1 | Very high | 111 Ų | 111 | 72.3 Ų | 72.3 | 52% | 0.519 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.9 | -36.5 | 175 | -68.8 | 171.7 | 27.1 | 0 | 0 | 111.5 | Q155 R156 R157 | Q155-Q159 WeakPolarHBondContact O-CG 3.37Å; Q155-Q159 PolarHBondContact O-N 3.38Å; Q155-Q159 VanDerWaalsContact O-N 3.11Å; R156-Q159 PolarHBondContact O-N 3.33Å; R157-Q159 VanDerWaalsContact C-N 3.32Å; R157-Q159 PolarHBondContact O-N 2.93Å |
| 160 | N | 96.9 | Very high | 98.1 | Very high | 123 Ų | 123 | 67.2 Ų | 67.2 | 66% | 0.658 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -79.7 | -47.5 | 179.6 | -59.8 | -5 | 0 | 0 | 0 | 111.6 | R157 F158 | R157-N160 PolarHBondContact O-N 2.72Å; F158-N160 VanDerWaalsContact C-N 3.25Å; F158-N160 PolarHBondContact O-N 3.23Å |
| 161 | T | 96.9 | Very high | 98.1 | Very high | 45 Ų | 45 | 71.7 Ų | 71.7 | 28% | 0.276 | 36% | 0.364 | S | S | . | . | trans | -140.6 | 114.8 | -174 | 53.1 | 0 | 0 | 0 | 0 | 109.7 | R157 F158 Y163 L164 F187 | R157-T161 PolarHBondContact NE-OG1 3.07Å; R157-T161 PolarHBondContact O-N 3.02Å; R157-T161 PolarHBondContact O-OG1 2.94Å; F158-T161 CarbonylContact O-C 3.56Å; T161-Y163 VanDerWaalsContact C-N 3.26Å; T161-Y163 PolarHBondContact O-N 3.25Å; T161-L164 WeakPolarHBondContact OG1-CD2 3.29Å; T161-F187 WeakPolarHBondContact O-CE1 3.24Å | ||
| 162 | Q | 97.6 | Very high | 98.1 | Very high | 81 Ų | 81 | 69.2 Ų | 69.2 | 38% | 0.379 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -78.2 | -13.7 | -179.8 | -61 | -179.3 | -13.8 | 0 | 0 | 113.5 | F158 R191 M194 | F158-Q162 HydrophobicContact CE1-CG 4.09Å; F158-Q162 HydrophobicContact CE2-CB 3.9Å; F158-Q162 HydrophobicContact CE2-CG 4.1Å; F158-Q162 HydrophobicContact CZ-CB 4.04Å; F158-Q162 HydrophobicContact CZ-CG 3.8Å; Q162-R191 WeakPolarHBondContact O-CD 3.44Å; Q162-M194 PolarHBondContact NE2-SD 2.98Å; Q162-M194 VanDerWaalsContact NE2-SD 3.43Å |
| 163 | Y | 98.2 | Very high | 98.1 | Very high | 150 Ų | 150 | 66.8 Ų | 66.8 | 59% | 0.588 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -129.7 | 127 | 178.9 | -64.6 | -101.8 | 0 | 0 | 0 | 107.7 | T161 R191 | T161-Y163 VanDerWaalsContact C-N 3.26Å; T161-Y163 PolarHBondContact O-N 3.25Å; Y163-R191 PolarHBondContact OH-NH1 3.38Å |
| 164 | L | 97.7 | Very high | 98.1 | Very high | 18 Ų | 18 | 69.4 Ų | 69.4 | 9% | 0.094 | 35% | 0.353 | C | S | . | . | trans | -102.4 | 131.5 | 177 | -66.5 | 179 | 0 | 0 | 0 | 110.5 | R157 T161 E168 R169 L172 V183 F187 | R157-L164 HydrophobicContact CG-CD2 3.86Å; T161-L164 WeakPolarHBondContact OG1-CD2 3.29Å; L164-E168 HydrophobicContact CD2-CB 4.18Å; L164-R169 HydrophobicContact CB-CB 4.28Å; L164-R169 PolarHBondContact O-NH2 3.25Å; L164-L172 HydrophobicContact CD1-CD2 3.72Å; L164-V183 HydrophobicContact CD1-CG1 3.96Å; L164-F187 HydrophobicContact CD1-CD1 4.34Å; L164-F187 HydrophobicContact CD1-CD2 4.07Å; L164-F187 HydrophobicContact CD1-CE1 3.83Å; L164-F187 HydrophobicContact CD1-CE2 3.53Å; L164-F187 HydrophobicContact CD1-CG 4.47Å; L164-F187 HydrophobicContact CD1-CZ 3.4Å; L164-F187 VanDerWaalsContact CD1-CZ 3.4Å; L164-F187 HydrophobicContact CD2-CE1 4.3Å; L164-F187 HydrophobicContact CD2-CZ 4.33Å; L164-F187 HydrophobicContact CG-CD1 4.14Å; L164-F187 HydrophobicContact CG-CE1 3.67Å; L164-F187 HydrophobicContact CG-CE2 4.3Å; L164-F187 HydrophobicContact CG-CZ 3.77Å | ||
| 165 | A | 98 | Very high | 98.1 | Very high | 50 Ų | 50 | 73.2 Ų | 73.2 | 41% | 0.413 | 38% | 0.38 | S | S | . | . | trans | -64.9 | 164.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | P167 E168 R169 | A165-P167 HydrophobicContact CB-CG 4.34Å; A165-E168 HydrophobicContact CB-CG 4.29Å; A165-E168 PolarHBondContact N-OE2 2.89Å; A165-R169 VanDerWaalsContact O-CB 3.3Å; A165-R169 WeakPolarHBondContact O-CB 3.42Å; A165-R169 PolarHBondContact O-N 3.31Å | ||
| 166 | L | 98.2 | Very high | 98.1 | Very high | 112 Ų | 112 | 71.5 Ų | 71.5 | 59% | 0.586 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -55.7 | -49.2 | 179.2 | -171.9 | 63.7 | 0 | 0 | 0 | 113.6 | R169 A170 | L166-R169 PolarHBondContact O-N 2.93Å; L166-A170 PolarHBondContact O-N 3.14Å; L166-A170 VanDerWaalsContact O-N 3.11Å |
| 167 | P | 98.1 | Very high | 98.1 | Very high | 84 Ų | 84 | 66.2 Ų | 66.2 | 55% | 0.545 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.9 | -48 | 179.8 | 22.1 | -33.2 | 0 | 0 | 0 | 112.5 | A165 R169 A170 E171 | A165-P167 HydrophobicContact CB-CG 4.34Å; P167-R169 PolarHBondContact O-N 3.44Å; P167-A170 WeakPolarHBondContact O-CB 3.37Å; P167-A170 PolarHBondContact O-N 3.24Å; P167-E171 PolarHBondContact O-N 3.34Å |
| 168 | E | 98.3 | Very high | 98.1 | Very high | 51 Ų | 51 | 63.7 Ų | 63.7 | 24% | 0.238 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.4 | -36 | 179.4 | -55.1 | 178.2 | 114.1 | 0 | 0 | 112.4 | R157 L164 A165 L172 | R157-E168 IonicContact CZ-OE1 3.91Å; R157-E168 VanDerWaalsContact NH2-CD 3.35Å; R157-E168 IonicContact NH2-OE1 2.72Å; R157-E168 PolarHBondContact NH2-OE1 3.42Å; L164-E168 HydrophobicContact CD2-CB 4.18Å; A165-E168 HydrophobicContact CB-CG 4.29Å; A165-E168 PolarHBondContact N-OE2 2.89Å; E168-L172 WeakPolarHBondContact O-CB 3.49Å; E168-L172 PolarHBondContact O-N 3.43Å |
| 169 | R | 98.6 | Very high | 98.1 | Very high | 54 Ų | 54 | 67 Ų | 67 | 20% | 0.204 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.8 | -40.6 | 175.1 | -175.1 | -169.4 | -56.7 | 159.7 | 9.8 | 111.4 | L164 A165 L166 P167 A173 Q180 V183 | L164-R169 HydrophobicContact CB-CB 4.28Å; L164-R169 PolarHBondContact O-NH2 3.25Å; A165-R169 VanDerWaalsContact O-CB 3.3Å; A165-R169 WeakPolarHBondContact O-CB 3.42Å; A165-R169 PolarHBondContact O-N 3.31Å; L166-R169 PolarHBondContact O-N 2.93Å; P167-R169 PolarHBondContact O-N 3.44Å; R169-A173 WeakPolarHBondContact O-CB 3.44Å; R169-A173 PolarHBondContact O-N 3.31Å; R169-Q180 WeakPolarHBondContact CD-O 3.41Å; R169-Q180 HydrophobicContact CG-CB 4.24Å; R169-V183 HydrophobicContact CG-CB 4.16Å; R169-V183 HydrophobicContact CG-CG1 4.01Å |
| 170 | A | 98.5 | Very high | 98.1 | Very high | 35 Ų | 35 | 65.7 Ų | 65.7 | 29% | 0.289 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L166 P167 A173 A174 Q180 | L166-A170 PolarHBondContact O-N 3.14Å; L166-A170 VanDerWaalsContact O-N 3.11Å; P167-A170 WeakPolarHBondContact O-CB 3.37Å; P167-A170 PolarHBondContact O-N 3.24Å; A170-A173 PolarHBondContact O-N 3.47Å; A170-A174 WeakPolarHBondContact O-CB 3.47Å; A170-A174 PolarHBondContact O-N 3.43Å; A170-Q180 HydrophobicContact CB-CG 4.49Å |
| 171 | E | 98.4 | Very high | 98.2 | Very high | 128 Ų | 128 | 64.1 Ų | 64.1 | 60% | 0.598 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -62.1 | -46.2 | 176.5 | -68.3 | 172.6 | -174.7 | 0 | 0 | 112.4 | P167 A173 A174 S175 | P167-E171 PolarHBondContact O-N 3.34Å; E171-A173 VanDerWaalsContact C-N 3.33Å; E171-A173 PolarHBondContact O-N 2.94Å; E171-A174 PolarHBondContact O-N 3.18Å; E171-S175 PolarHBondContact O-N 3.05Å; E171-S175 PolarHBondContact O-OG 3.33Å; E171-S175 VanDerWaalsContact O-OG 3.07Å |
| 172 | L | 98.4 | Very high | 98.2 | Very high | 20 Ų | 20 | 64.4 Ų | 64.4 | 11% | 0.105 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.6 | -37.5 | 178.7 | -172.5 | 61.8 | 0 | 0 | 0 | 112 | L154 R157 L164 E168 S175 L176 V183 F187 | L154-L172 HydrophobicContact CD2-CD2 3.96Å; R157-L172 HydrophobicContact CB-CD2 4.18Å; R157-L172 HydrophobicContact CG-CD2 4.1Å; L164-L172 HydrophobicContact CD1-CD2 3.72Å; E168-L172 WeakPolarHBondContact O-CB 3.49Å; E168-L172 PolarHBondContact O-N 3.43Å; L172-S175 WeakPolarHBondContact CA-OG 3.34Å; L172-S175 PolarHBondContact O-OG 3.04Å; L172-L176 HydrophobicContact CD1-CD1 3.86Å; L172-L176 HydrophobicContact CD1-CG 4.23Å; L172-L176 HydrophobicContact CG-CD1 4.09Å; L172-L176 WeakPolarHBondContact O-CB 3.33Å; L172-L176 WeakPolarHBondContact O-CG 3.33Å; L172-L176 PolarHBondContact O-N 3.48Å; L172-V183 HydrophobicContact CD2-CG1 4.03Å; L172-F187 HydrophobicContact CD2-CE2 4Å; L172-F187 HydrophobicContact CD2-CZ 4.3Å |
| 173 | A | 98.6 | Very high | 98.3 | Very high | 4 Ų | 4 | 60.6 Ų | 60.6 | 3% | 0.033 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.9 | -48 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | R169 A170 E171 L176 G177 L178 Q180 V183 | R169-A173 WeakPolarHBondContact O-CB 3.44Å; R169-A173 PolarHBondContact O-N 3.31Å; A170-A173 PolarHBondContact O-N 3.47Å; E171-A173 VanDerWaalsContact C-N 3.33Å; E171-A173 PolarHBondContact O-N 2.94Å; A173-L176 PolarHBondContact O-N 3Å; A173-G177 PolarHBondContact O-N 3Å; A173-G177 VanDerWaalsContact O-N 3.1Å; A173-L178 CarbonylContact C-O 3.43Å; A173-L178 WeakPolarHBondContact CB-O 3.42Å; A173-L178 PolarHBondContact O-N 3.31Å; A173-L178 VanDerWaalsContact O-O 3.12Å; A173-Q180 HydrophobicContact CB-CG 4.12Å; A173-V183 HydrophobicContact CB-CG2 3.97Å |
| 174 | A | 98.4 | Very high | 98.3 | Very high | 79 Ų | 79 | 58.3 Ų | 58.3 | 65% | 0.653 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -60.6 | -48.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A170 E171 L176 G177 | A170-A174 WeakPolarHBondContact O-CB 3.47Å; A170-A174 PolarHBondContact O-N 3.43Å; E171-A174 PolarHBondContact O-N 3.18Å; A174-L176 VanDerWaalsContact C-N 3.27Å; A174-L176 PolarHBondContact O-N 3.45Å; A174-G177 PolarHBondContact O-N 3.46Å |
| 175 | S | 98.2 | Very high | 98.3 | Very high | 81 Ų | 81 | 61.2 Ų | 61.2 | 57% | 0.566 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -64.2 | -27.3 | -179.3 | 56.3 | 0 | 0 | 0 | 0 | 114.4 | E171 L172 | E171-S175 PolarHBondContact O-N 3.05Å; E171-S175 PolarHBondContact O-OG 3.33Å; E171-S175 VanDerWaalsContact O-OG 3.07Å; L172-S175 WeakPolarHBondContact CA-OG 3.34Å; L172-S175 PolarHBondContact O-OG 3.04Å |
| 176 | L | 98.1 | Very high | 98.3 | Very high | 13 Ų | 13 | 60.5 Ų | 60.5 | 7% | 0.068 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -99.7 | -2.3 | -179.1 | -62.3 | -177 | 0 | 0 | 0 | 114.3 | F149 Q150 A153 L154 L172 A173 A174 L178 | F149-L176 HydrophobicContact CD1-CD2 4.28Å; F149-L176 HydrophobicContact CE1-CD2 3.71Å; F149-L176 HydrophobicContact CZ-CD2 4.38Å; Q150-L176 HydrophobicContact CG-CB 4.35Å; Q150-L176 PolarHBondContact NE2-O 3.49Å; A153-L176 HydrophobicContact CB-CD1 4.07Å; A153-L176 HydrophobicContact CB-CD2 3.61Å; A153-L176 HydrophobicContact CB-CG 4.43Å; L154-L176 HydrophobicContact CD2-CD1 4.03Å; L154-L176 HydrophobicContact CG-CD1 3.82Å; L172-L176 HydrophobicContact CD1-CD1 3.86Å; L172-L176 HydrophobicContact CD1-CG 4.23Å; L172-L176 HydrophobicContact CG-CD1 4.09Å; L172-L176 WeakPolarHBondContact O-CB 3.33Å; L172-L176 WeakPolarHBondContact O-CG 3.33Å; L172-L176 PolarHBondContact O-N 3.48Å; A173-L176 PolarHBondContact O-N 3Å; A174-L176 VanDerWaalsContact C-N 3.27Å; A174-L176 PolarHBondContact O-N 3.45Å; L176-L178 VanDerWaalsContact C-N 3.27Å; L176-L178 HydrophobicContact CB-CD1 4.13Å; L176-L178 HydrophobicContact CB-CG 4Å; L176-L178 HydrophobicContact CD1-CD1 4.43Å; L176-L178 PolarHBondContact O-N 3Å |
| 177 | G | 98.1 | Very high | 98.3 | Very high | 69 Ų | 69 | 55.6 Ų | 55.6 | 71% | 0.711 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 33.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A173 A174 | A173-G177 PolarHBondContact O-N 3Å; A173-G177 VanDerWaalsContact O-N 3.1Å; A174-G177 PolarHBondContact O-N 3.46Å |
| 178 | L | 98.1 | Very high | 98.4 | Very high | 22 Ų | 22 | 55.3 Ų | 55.3 | 12% | 0.115 | 32% | 0.315 | C | S | . | . | trans | -111.3 | 161.9 | 179 | -61.5 | -177.8 | 0 | 0 | 0 | 110.5 | Y146 L154 A173 L176 Q182 V183 | Y146-L178 HydrophobicContact CD1-CD1 4.05Å; Y146-L178 HydrophobicContact CD1-CD2 3.81Å; Y146-L178 HydrophobicContact CE1-CD1 4.01Å; Y146-L178 HydrophobicContact CE1-CD2 3.79Å; L154-L178 HydrophobicContact CD1-CD1 4.3Å; A173-L178 CarbonylContact C-O 3.43Å; A173-L178 WeakPolarHBondContact CB-O 3.42Å; A173-L178 PolarHBondContact O-N 3.31Å; A173-L178 VanDerWaalsContact O-O 3.12Å; L176-L178 VanDerWaalsContact C-N 3.27Å; L176-L178 HydrophobicContact CB-CD1 4.13Å; L176-L178 HydrophobicContact CB-CG 4Å; L176-L178 HydrophobicContact CD1-CD1 4.43Å; L176-L178 PolarHBondContact O-N 3Å; L178-Q182 HydrophobicContact CB-CB 4.45Å; L178-V183 HydrophobicContact CB-CG2 4.22Å; L178-V183 HydrophobicContact CD1-CG2 4.49Å | ||
| 179 | T | 98.4 | Very high | 98.4 | Very high | 77 Ų | 77 | 57.8 Ų | 57.8 | 47% | 0.472 | 33% | 0.33 | S | S | . | . | trans | -80.4 | 151 | 169.4 | 63.4 | 0 | 0 | 0 | 0 | 110.8 | T181 Q182 V183 | T179-T181 PolarHBondContact O-N 3.34Å; T179-T181 VanDerWaalsContact O-N 3.15Å; T179-Q182 WeakPolarHBondContact O-CB 3.38Å; T179-Q182 PolarHBondContact O-N 3.26Å; T179-Q182 WeakPolarHBondContact OG1-CB 3.41Å; T179-Q182 VanDerWaalsContact OG1-CG 3.24Å; T179-Q182 WeakPolarHBondContact OG1-CG 3.41Å; T179-Q182 PolarHBondContact OG1-N 3.19Å; T179-Q182 VanDerWaalsContact OG1-N 3.17Å; T179-Q182 PolarHBondContact OG1-OE1 3.5Å; T179-V183 PolarHBondContact O-N 3.37Å; T179-V183 VanDerWaalsContact O-N 3.12Å | ||
| 180 | Q | 98.4 | Very high | 98.3 | Very high | 84 Ų | 84 | 59 Ų | 59 | 39% | 0.393 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -53.9 | -36.6 | 173.3 | -66.1 | -174.8 | 37.2 | 0 | 0 | 111.9 | R169 A170 A173 V183 K184 | R169-Q180 WeakPolarHBondContact CD-O 3.41Å; R169-Q180 HydrophobicContact CG-CB 4.24Å; A170-Q180 HydrophobicContact CB-CG 4.49Å; A173-Q180 HydrophobicContact CB-CG 4.12Å; Q180-V183 PolarHBondContact O-N 2.91Å; Q180-K184 WeakPolarHBondContact O-CB 3.2Å; Q180-K184 PolarHBondContact O-N 3Å |
| 181 | T | 98.3 | Very high | 98.3 | Very high | 89 Ų | 89 | 60.6 Ų | 60.6 | 55% | 0.546 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.7 | -42.7 | 177 | -58.3 | 0 | 0 | 0 | 0 | 112.2 | T179 K184 I185 | T179-T181 PolarHBondContact O-N 3.34Å; T179-T181 VanDerWaalsContact O-N 3.15Å; T181-K184 WeakPolarHBondContact O-CB 3.41Å; T181-K184 PolarHBondContact O-N 3.36Å; T181-I185 HydrophobicContact CG2-CD1 3.84Å; T181-I185 HydrophobicContact CG2-CG1 4.41Å; T181-I185 WeakPolarHBondContact O-CB 3.4Å; T181-I185 VanDerWaalsContact O-CG1 3.29Å; T181-I185 WeakPolarHBondContact O-CG1 3.4Å; T181-I185 PolarHBondContact O-N 3.46Å |
| 182 | Q | 98.1 | Very high | 98.3 | Very high | 51 Ų | 51 | 57.7 Ų | 57.7 | 24% | 0.238 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 175.5 | -79.9 | 165.8 | -44.5 | 0 | 0 | 111.5 | Y146 L178 T179 K184 I185 W186 | Y146-Q182 HydrophobicContact CE1-CB 4.33Å; Y146-Q182 HydrophobicContact CE1-CG 4.45Å; Y146-Q182 WeakPolarHBondContact OH-CB 3.34Å; L178-Q182 HydrophobicContact CB-CB 4.45Å; T179-Q182 WeakPolarHBondContact O-CB 3.38Å; T179-Q182 PolarHBondContact O-N 3.26Å; T179-Q182 WeakPolarHBondContact OG1-CB 3.41Å; T179-Q182 VanDerWaalsContact OG1-CG 3.24Å; T179-Q182 WeakPolarHBondContact OG1-CG 3.41Å; T179-Q182 PolarHBondContact OG1-N 3.19Å; T179-Q182 VanDerWaalsContact OG1-N 3.17Å; T179-Q182 PolarHBondContact OG1-OE1 3.5Å; Q182-K184 PolarHBondContact O-N 3.48Å; Q182-I185 PolarHBondContact O-N 2.86Å; Q182-W186 WeakPolarHBondContact O-CB 3.44Å; Q182-W186 PolarHBondContact O-N 2.98Å |
| 183 | V | 98.5 | Very high | 98.2 | Very high | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.006 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.1 | -46.7 | 174.8 | 178.8 | 0 | 0 | 0 | 0 | 110.4 | L154 L164 R169 L172 A173 L178 T179 Q180 I185 W186 F187 | L154-V183 HydrophobicContact CD2-CG1 4.28Å; L154-V183 HydrophobicContact CD2-CG2 4.49Å; L164-V183 HydrophobicContact CD1-CG1 3.96Å; R169-V183 HydrophobicContact CG-CB 4.16Å; R169-V183 HydrophobicContact CG-CG1 4.01Å; L172-V183 HydrophobicContact CD2-CG1 4.03Å; A173-V183 HydrophobicContact CB-CG2 3.97Å; L178-V183 HydrophobicContact CB-CG2 4.22Å; L178-V183 HydrophobicContact CD1-CG2 4.49Å; T179-V183 PolarHBondContact O-N 3.37Å; T179-V183 VanDerWaalsContact O-N 3.12Å; Q180-V183 PolarHBondContact O-N 2.91Å; V183-I185 VanDerWaalsContact C-N 3.35Å; V183-I185 PolarHBondContact O-N 3.37Å; V183-W186 PolarHBondContact O-N 3.47Å; V183-F187 HydrophobicContact CG1-CD2 3.88Å; V183-F187 HydrophobicContact CG1-CE2 3.95Å; V183-F187 WeakPolarHBondContact O-CD2 3.4Å; V183-F187 PolarHBondContact O-N 3Å |
| 184 | K | 98.4 | Very high | 98 | Very high | 103 Ų | 103 | 65.1 Ų | 65.1 | 45% | 0.448 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58 | -44.3 | 177.4 | -170 | -164.2 | 173.5 | 178.1 | 0 | 112.2 | Q180 T181 Q182 Q188 | Q180-K184 WeakPolarHBondContact O-CB 3.2Å; Q180-K184 PolarHBondContact O-N 3Å; T181-K184 WeakPolarHBondContact O-CB 3.41Å; T181-K184 PolarHBondContact O-N 3.36Å; Q182-K184 PolarHBondContact O-N 3.48Å; K184-Q188 WeakPolarHBondContact O-CG 3.47Å; K184-Q188 PolarHBondContact O-N 2.98Å; K184-Q188 VanDerWaalsContact O-N 3.14Å; K184-Q188 PolarHBondContact O-NE2 3.44Å |
| 185 | I | 98.4 | Very high | 97.9 | Very high | 79 Ų | 79 | 68.6 Ų | 68.6 | 41% | 0.405 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.9 | -44.5 | 178.9 | -70.3 | 168.2 | 0 | 0 | 0 | 110.2 | T181 Q182 V183 F187 Q188 N189 | T181-I185 HydrophobicContact CG2-CD1 3.84Å; T181-I185 HydrophobicContact CG2-CG1 4.41Å; T181-I185 WeakPolarHBondContact O-CB 3.4Å; T181-I185 VanDerWaalsContact O-CG1 3.29Å; T181-I185 WeakPolarHBondContact O-CG1 3.4Å; T181-I185 PolarHBondContact O-N 3.46Å; Q182-I185 PolarHBondContact O-N 2.86Å; V183-I185 VanDerWaalsContact C-N 3.35Å; V183-I185 PolarHBondContact O-N 3.37Å; I185-F187 PolarHBondContact O-N 2.86Å; I185-Q188 PolarHBondContact O-N 3.44Å; I185-N189 VanDerWaalsContact O-CG 3.3Å; I185-N189 PolarHBondContact O-N 3.11Å |
| 186 | W | 98.3 | Very high | 97.7 | Very high | 34 Ų | 34 | 71.6 Ų | 71.6 | 13% | 0.129 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.6 | -46.9 | 178.7 | -170.3 | 100.4 | 0 | 0 | 0 | 111.5 | Y146 L154 Q155 F158 Q182 V183 Q188 N189 R190 | Y146-W186 AromaticContact CD2-CD1 3.86Å; Y146-W186 AromaticContact CE2-CD1 3.7Å; L154-W186 HydrophobicContact CB-CD2 3.98Å; L154-W186 HydrophobicContact CB-CE3 3.95Å; L154-W186 HydrophobicContact CB-CH2 3.72Å; L154-W186 HydrophobicContact CB-CZ2 3.72Å; L154-W186 HydrophobicContact CB-CZ3 3.83Å; L154-W186 HydrophobicContact CD1-CD2 3.89Å; L154-W186 HydrophobicContact CD1-CG 3.86Å; L154-W186 HydrophobicContact CD2-CD2 4.38Å; L154-W186 HydrophobicContact CD2-CE3 4.29Å; L154-W186 HydrophobicContact CG-CD2 4.31Å; L154-W186 HydrophobicContact CG-CE3 4.5Å; Q155-W186 HydrophobicContact CB-CH2 4.47Å; F158-W186 HydrophobicContact CB-CH2 4.42Å; F158-W186 HydrophobicContact CB-CZ3 4.12Å; F158-W186 HydrophobicContact CD2-CZ3 4.35Å; F158-W186 HydrophobicContact CG-CZ3 4.42Å; Q182-W186 WeakPolarHBondContact O-CB 3.44Å; Q182-W186 PolarHBondContact O-N 2.98Å; V183-W186 PolarHBondContact O-N 3.47Å; W186-Q188 PolarHBondContact O-N 2.92Å; W186-N189 PolarHBondContact O-N 3.34Å; W186-R190 HydrophobicContact CE3-CB 4.12Å; W186-R190 HydrophobicContact CH2-CB 4.24Å; W186-R190 HydrophobicContact CH2-CG 3.98Å; W186-R190 HydrophobicContact CZ3-CB 3.86Å; W186-R190 HydrophobicContact CZ3-CG 3.92Å; W186-R190 WeakPolarHBondContact O-CB 3.43Å; W186-R190 PolarHBondContact O-N 3.41Å |
| 187 | F | 98.6 | Very high | 97.5 | Very high | 10 Ų | 10 | 72.9 Ų | 72.9 | 4% | 0.044 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 177.7 | -89.9 | -105.2 | 0 | 0 | 0 | 112.8 | L154 R157 F158 T161 L164 L172 V183 I185 R190 R191 | L154-F187 HydrophobicContact CD2-CE2 3.94Å; R157-F187 HydrophobicContact CB-CZ 4.36Å; R157-F187 HydrophobicContact CG-CZ 4.25Å; F158-F187 HydrophobicContact CB-CE1 4.26Å; F158-F187 HydrophobicContact CB-CZ 4.41Å; F158-F187 AromaticContact CD2-CD1 3.8Å; F158-F187 HydrophobicContact CD2-CD1 3.8Å; F158-F187 AromaticContact CD2-CE1 3.8Å; F158-F187 HydrophobicContact CD2-CE1 3.8Å; F158-F187 HydrophobicContact CE2-CD1 4.39Å; T161-F187 WeakPolarHBondContact O-CE1 3.24Å; L164-F187 HydrophobicContact CD1-CD1 4.34Å; L164-F187 HydrophobicContact CD1-CD2 4.07Å; L164-F187 HydrophobicContact CD1-CE1 3.83Å; L164-F187 HydrophobicContact CD1-CE2 3.53Å; L164-F187 HydrophobicContact CD1-CG 4.47Å; L164-F187 HydrophobicContact CD1-CZ 3.4Å; L164-F187 VanDerWaalsContact CD1-CZ 3.4Å; L164-F187 HydrophobicContact CD2-CE1 4.3Å; L164-F187 HydrophobicContact CD2-CZ 4.33Å; L164-F187 HydrophobicContact CG-CD1 4.14Å; L164-F187 HydrophobicContact CG-CE1 3.67Å; L164-F187 HydrophobicContact CG-CE2 4.3Å; L164-F187 HydrophobicContact CG-CZ 3.77Å; L172-F187 HydrophobicContact CD2-CE2 4Å; L172-F187 HydrophobicContact CD2-CZ 4.3Å; V183-F187 HydrophobicContact CG1-CD2 3.88Å; V183-F187 HydrophobicContact CG1-CE2 3.95Å; V183-F187 WeakPolarHBondContact O-CD2 3.4Å; V183-F187 PolarHBondContact O-N 3Å; I185-F187 PolarHBondContact O-N 2.86Å; F187-R190 PolarHBondContact O-N 3.2Å; F187-R191 WeakPolarHBondContact O-CG 3.26Å; F187-R191 PolarHBondContact O-N 2.91Å |
| 188 | Q | 98.5 | Very high | 97 | Very high | 77 Ų | 77 | 75.9 Ų | 75.9 | 36% | 0.36 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.9 | -44 | 174.3 | -76.8 | 172.2 | 87.3 | 0 | 0 | 112.1 | K184 I185 W186 R190 R191 S192 | K184-Q188 WeakPolarHBondContact O-CG 3.47Å; K184-Q188 PolarHBondContact O-N 2.98Å; K184-Q188 VanDerWaalsContact O-N 3.14Å; K184-Q188 PolarHBondContact O-NE2 3.44Å; I185-Q188 PolarHBondContact O-N 3.44Å; W186-Q188 PolarHBondContact O-N 2.92Å; Q188-R190 VanDerWaalsContact C-N 3.35Å; Q188-R191 PolarHBondContact O-N 3.43Å; Q188-S192 WeakPolarHBondContact O-CB 3.43Å; Q188-S192 PolarHBondContact O-N 3.3Å; Q188-S192 PolarHBondContact O-OG 3.46Å |
| 189 | N | 98.1 | Very high | 96.5 | Very high | 103 Ų | 103 | 83.8 Ų | 83.8 | 55% | 0.551 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -64 | -42.5 | 177.3 | -70.4 | -15.7 | 0 | 0 | 0 | 110.9 | I185 W186 S192 K193 | I185-N189 VanDerWaalsContact O-CG 3.3Å; I185-N189 PolarHBondContact O-N 3.11Å; W186-N189 PolarHBondContact O-N 3.34Å; N189-S192 PolarHBondContact O-N 2.93Å; N189-K193 PolarHBondContact O-N 2.97Å |
| 190 | R | 97.9 | Very high | 95.8 | Very high | 80 Ų | 80 | 85.1 Ų | 85.1 | 30% | 0.302 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.5 | -47.2 | 178 | -174 | 68 | -165.9 | -177.8 | 5.7 | 111.8 | F158 W186 F187 Q188 S192 K193 M194 | F158-R190 HydrophobicContact CD1-CG 3.75Å; F158-R190 HydrophobicContact CD2-CB 4.18Å; F158-R190 HydrophobicContact CD2-CG 3.65Å; F158-R190 HydrophobicContact CE1-CG 3.66Å; F158-R190 HydrophobicContact CE2-CB 3.98Å; F158-R190 HydrophobicContact CE2-CG 3.56Å; F158-R190 HydrophobicContact CG-CG 3.75Å; F158-R190 HydrophobicContact CZ-CB 4.32Å; F158-R190 HydrophobicContact CZ-CG 3.56Å; W186-R190 HydrophobicContact CE3-CB 4.12Å; W186-R190 HydrophobicContact CH2-CB 4.24Å; W186-R190 HydrophobicContact CH2-CG 3.98Å; W186-R190 HydrophobicContact CZ3-CB 3.86Å; W186-R190 HydrophobicContact CZ3-CG 3.92Å; W186-R190 WeakPolarHBondContact O-CB 3.43Å; W186-R190 PolarHBondContact O-N 3.41Å; F187-R190 PolarHBondContact O-N 3.2Å; Q188-R190 VanDerWaalsContact C-N 3.35Å; R190-S192 PolarHBondContact O-N 2.96Å; R190-K193 PolarHBondContact O-N 3.49Å; R190-M194 PolarHBondContact O-N 3.43Å |
| 191 | R | 97.9 | Very high | 94.7 | Very high | 69 Ų | 69 | 84 Ų | 84 | 26% | 0.26 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 175.2 | -72.4 | -170.7 | -74.3 | 131 | -4.5 | 112.5 | F158 Q162 Y163 F187 Q188 M194 K195 | F158-R191 HydrophobicContact CE2-CG 3.72Å; F158-R191 HydrophobicContact CZ-CG 3.99Å; Q162-R191 WeakPolarHBondContact O-CD 3.44Å; Y163-R191 PolarHBondContact OH-NH1 3.38Å; F187-R191 WeakPolarHBondContact O-CG 3.26Å; F187-R191 PolarHBondContact O-N 2.91Å; Q188-R191 PolarHBondContact O-N 3.43Å; R191-M194 PolarHBondContact O-N 3.4Å; R191-K195 WeakPolarHBondContact O-CB 3.45Å; R191-K195 PolarHBondContact O-N 3.43Å |
| 192 | S | 98 | Very high | 93 | Very high | 67 Ų | 67 | 86.9 Ų | 86.9 | 47% | 0.469 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | 178.2 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | Q188 N189 R190 K195 K196 | Q188-S192 WeakPolarHBondContact O-CB 3.43Å; Q188-S192 PolarHBondContact O-N 3.3Å; Q188-S192 PolarHBondContact O-OG 3.46Å; N189-S192 PolarHBondContact O-N 2.93Å; R190-S192 PolarHBondContact O-N 2.96Å; S192-K195 PolarHBondContact O-N 2.95Å; S192-K196 WeakPolarHBondContact O-CB 3.47Å; S192-K196 PolarHBondContact O-N 3.28Å |
| 193 | K | 96.3 | Very high | 91.1 | Very high | 128 Ų | 128 | 91 Ų | 91 | 56% | 0.557 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -60.9 | -48.1 | 174.9 | -177.1 | 174.9 | 178.8 | 177.8 | 0 | 111.1 | N189 R190 K195 K196 I197 | N189-K193 PolarHBondContact O-N 2.97Å; R190-K193 PolarHBondContact O-N 3.49Å; K193-K195 PolarHBondContact O-N 3.22Å; K193-K196 WeakPolarHBondContact O-CB 3.26Å; K193-K196 PolarHBondContact O-N 3.48Å; K193-I197 HydrophobicContact CD-CD1 4.45Å; K193-I197 HydrophobicContact CG-CD1 3.78Å; K193-I197 HydrophobicContact CG-CG1 4.44Å; K193-I197 WeakPolarHBondContact O-CB 3.46Å; K193-I197 VanDerWaalsContact O-CG1 3.26Å; K193-I197 WeakPolarHBondContact O-CG1 3.49Å; K193-I197 PolarHBondContact O-N 3.02Å |
| 194 | M | 95.1 | Very high | 89.1 | Confident | 52 Ų | 52 | 94.9 Ų | 94.9 | 26% | 0.256 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.9 | -47.7 | 177.7 | -175.2 | -179.6 | 71.9 | 0 | 0 | 111.9 | F158 Q162 R190 R191 K196 I197 M198 | F158-M194 HydrophobicContact CE1-SD 4.08Å; F158-M194 HydrophobicContact CZ-CE 4.36Å; F158-M194 HydrophobicContact CZ-SD 4.19Å; Q162-M194 PolarHBondContact NE2-SD 2.98Å; Q162-M194 VanDerWaalsContact NE2-SD 3.43Å; R190-M194 PolarHBondContact O-N 3.43Å; R191-M194 PolarHBondContact O-N 3.4Å; M194-K196 VanDerWaalsContact C-N 3.3Å; M194-K196 PolarHBondContact O-N 2.92Å; M194-I197 PolarHBondContact O-N 3.49Å; M194-M198 HydrophobicContact CG-CG 4.5Å; M194-M198 HydrophobicContact CG-SD 4.09Å; M194-M198 VanDerWaalsContact O-CG 3.3Å; M194-M198 WeakPolarHBondContact O-CG 3.06Å; M194-M198 PolarHBondContact O-N 3.35Å |
| 195 | K | 95.8 | Very high | 87.1 | Confident | 151 Ų | 151 | 94.9 Ų | 94.9 | 66% | 0.657 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -59.3 | -40.7 | 176.6 | -175.3 | 178.6 | 67.2 | 173.9 | 0 | 112.3 | R191 S192 K193 K199 | R191-K195 WeakPolarHBondContact O-CB 3.45Å; R191-K195 PolarHBondContact O-N 3.43Å; S192-K195 PolarHBondContact O-N 2.95Å; K193-K195 PolarHBondContact O-N 3.22Å; K195-K199 WeakPolarHBondContact O-CB 3.46Å; K195-K199 PolarHBondContact O-N 3.12Å; K195-K199 VanDerWaalsContact O-N 3.12Å |
| 196 | K | 95.3 | Very high | 85.3 | Confident | 145 Ų | 145 | 99 Ų | 99 | 63% | 0.63 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.4 | -51.5 | 177.4 | -175.5 | 179.6 | 178.5 | -175.8 | 0 | 110.5 | S192 K193 M194 M198 K199 N200 | S192-K196 WeakPolarHBondContact O-CB 3.47Å; S192-K196 PolarHBondContact O-N 3.28Å; K193-K196 WeakPolarHBondContact O-CB 3.26Å; K193-K196 PolarHBondContact O-N 3.48Å; M194-K196 VanDerWaalsContact C-N 3.3Å; M194-K196 PolarHBondContact O-N 2.92Å; K196-M198 PolarHBondContact O-N 3.41Å; K196-K199 PolarHBondContact O-N 3.46Å; K196-K199 VanDerWaalsContact O-N 3.14Å; K196-N200 WeakPolarHBondContact O-CB 3.46Å; K196-N200 PolarHBondContact O-N 2.87Å; K196-N200 PolarHBondContact O-OD1 3.37Å |
| 197 | I | 92.3 | Very high | 82.9 | Confident | 39 Ų | 39 | 105.1 Ų | 105.1 | 20% | 0.2 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -55.3 | -49.4 | 178 | -72.5 | 173.1 | 0 | 0 | 0 | 111 | K193 M194 K199 N200 G201 E202 P204 | K193-I197 HydrophobicContact CD-CD1 4.45Å; K193-I197 HydrophobicContact CG-CD1 3.78Å; K193-I197 HydrophobicContact CG-CG1 4.44Å; K193-I197 WeakPolarHBondContact O-CB 3.46Å; K193-I197 VanDerWaalsContact O-CG1 3.26Å; K193-I197 WeakPolarHBondContact O-CG1 3.49Å; K193-I197 PolarHBondContact O-N 3.02Å; M194-I197 PolarHBondContact O-N 3.49Å; I197-K199 VanDerWaalsContact C-N 3.28Å; I197-K199 PolarHBondContact O-N 3.19Å; I197-N200 PolarHBondContact O-N 3.29Å; I197-G201 PolarHBondContact O-N 3.14Å; I197-E202 WeakPolarHBondContact CG2-O 3.3Å; I197-P204 HydrophobicContact CD1-CG 4.43Å; I197-P204 HydrophobicContact CG2-CG 3.36Å |
| 198 | M | 89.1 | Confident | 80 | Confident | 133 Ų | 133 | 109.2 Ų | 109.2 | 66% | 0.655 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.2 | -32.5 | 179.1 | -67.5 | 179 | 83.5 | 0 | 0 | 113.4 | M194 K196 | M194-M198 HydrophobicContact CG-CG 4.5Å; M194-M198 HydrophobicContact CG-SD 4.09Å; M194-M198 VanDerWaalsContact O-CG 3.3Å; M194-M198 WeakPolarHBondContact O-CG 3.06Å; M194-M198 PolarHBondContact O-N 3.35Å; K196-M198 PolarHBondContact O-N 3.41Å |
| 199 | K | 87.6 | Confident | 77.9 | Confident | 188 Ų | 188 | 111.6 Ų | 111.6 | 82% | 0.817 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -78 | -30 | 177.9 | -176.3 | 172.9 | 179.1 | -177.9 | 0 | 112.7 | K195 K196 I197 G201 | K195-K199 WeakPolarHBondContact O-CB 3.46Å; K195-K199 PolarHBondContact O-N 3.12Å; K195-K199 VanDerWaalsContact O-N 3.12Å; K196-K199 PolarHBondContact O-N 3.46Å; K196-K199 VanDerWaalsContact O-N 3.14Å; I197-K199 VanDerWaalsContact C-N 3.28Å; I197-K199 PolarHBondContact O-N 3.19Å; K199-G201 VanDerWaalsContact C-N 3.32Å |
| 200 | N | 83.8 | Confident | 75.7 | Confident | 105 Ų | 105 | 111.6 Ų | 111.6 | 56% | 0.561 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | 1.8 | -175.5 | -78.6 | 91.5 | 0 | 0 | 0 | 113.6 | K196 I197 E202 | K196-N200 WeakPolarHBondContact O-CB 3.46Å; K196-N200 PolarHBondContact O-N 2.87Å; K196-N200 PolarHBondContact O-OD1 3.37Å; I197-N200 PolarHBondContact O-N 3.29Å; N200-E202 PolarHBondContact O-N 3.4Å |
| 201 | G | 74.7 | Confident | 73 | Confident | 61 Ų | 61 | 113 Ų | 113 | 63% | 0.629 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.7 | -2.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | I197 K199 L203 | I197-G201 PolarHBondContact O-N 3.14Å; K199-G201 VanDerWaalsContact C-N 3.32Å; G201-L203 PolarHBondContact O-N 3.29Å |
| 202 | E | 63 | Low | 70.8 | Confident | 148 Ų | 148 | 115.3 Ų | 115.3 | 69% | 0.692 | 64% | 0.637 | S | S | * | * | trans | -79 | 75.1 | 172.3 | -165.8 | -179.7 | -178 | 0 | 0 | 107.4 | I197 N200 P204 | I197-E202 WeakPolarHBondContact CG2-O 3.3Å; N200-E202 PolarHBondContact O-N 3.4Å; E202-P204 WeakPolarHBondContact O-CD 3.39Å | ||
| 203 | L | 56.8 | Low | 68.5 | Low | 138 Ų | 138 | 119.2 Ų | 119.2 | 72% | 0.723 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 121.5 | 173.6 | -66.3 | 174 | 0 | 0 | 0 | 108.3 | G201 P205 | G201-L203 PolarHBondContact O-N 3.29Å; L203-P205 WeakPolarHBondContact O-CD 3.33Å |
| 204 | P | 58.3 | Low | 66.6 | Low | 82 Ų | 82 | 117.9 Ų | 117.9 | 53% | 0.532 | 66% | 0.657 | S | S | . | * | P | Polyproline II helix | trans | -67.1 | 124.3 | 161.3 | -7.8 | 26.3 | 0 | 0 | 0 | 105.6 | I197 E202 | I197-P204 HydrophobicContact CD1-CG 4.43Å; I197-P204 HydrophobicContact CG2-CG 3.36Å; E202-P204 WeakPolarHBondContact O-CD 3.39Å |
| 205 | P | 56.2 | Low | 64.8 | Low | 104 Ų | 104 | 123.2 Ų | 123.2 | 68% | 0.675 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 159.3 | 163.2 | -12.5 | 27.8 | 0 | 0 | 0 | 108.3 | L203 | L203-P205 WeakPolarHBondContact O-CD 3.33Š|
| 206 | E | 59.8 | Low | 62.5 | Low | 164 Ų | 164 | 120.6 Ų | 120.6 | 77% | 0.766 | 69% | 0.69 | S | S | * | * | trans | 88.4 | 79.6 | 174.1 | -44.7 | -52.6 | 106.1 | 0 | 0 | 116.4 | ||||
| 207 | H | 48.8 | Very low | 60.3 | Low | 163 Ų | 163 | 119.1 Ų | 119.1 | 76% | 0.755 | 70% | 0.697 | S | S | * | * | -179.7 | 80.6 | 113.7 | -98.4 | -82.6 | 0 | 0 | 0 | 109.8 | |||||
| 208 | S | 36.1 | Very low | 58.6 | Low | 97 Ų | 97 | 124.6 Ų | 124.6 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | trans | -114.2 | 113.9 | 154 | 171.5 | 0 | 0 | 0 | 0 | 107.4 | S210 | S208-S210 PolarHBondContact O-N 2.95Å; S208-S210 PolarHBondContact OG-N 3.02Å | ||
| 209 | P | 55.4 | Low | 56.7 | Low | 127 Ų | 127 | 124 Ų | 124 | 83% | 0.825 | 74% | 0.735 | S | S | * | * | trans | -91.1 | 51.2 | 171.3 | 37.9 | -31.4 | 0 | 0 | 0 | 109.7 | ||||
| 210 | S | 50.7 | Low | 55 | Low | 103 Ų | 103 | 120.2 Ų | 120.2 | 72% | 0.72 | 73% | 0.73 | S | S | * | * | trans | -169.2 | 88.1 | 164.6 | -152.9 | 0 | 0 | 0 | 0 | 109.9 | S208 | S208-S210 PolarHBondContact O-N 2.95Å; S208-S210 PolarHBondContact OG-N 3.02Å | ||
| 211 | S | 41.7 | Very low | 53.3 | Low | 110 Ų | 110 | 124.5 Ų | 124.5 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | trans | -163.6 | 104.5 | 143.8 | -138.5 | 0 | 0 | 0 | 0 | 106.8 | D213 | S211-D213 PolarHBondContact O-N 3.44Š| ||
| 212 | S | 51.5 | Low | 52.1 | Low | 117 Ų | 117 | 126.3 Ų | 126.3 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | -64.9 | 111.3 | 165.5 | -57.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 213 | D | 50 | Low | 51.9 | Low | 149 Ų | 149 | 124.9 Ų | 124.9 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | trans | -132.4 | 104.4 | 150.1 | -101 | -41 | 0 | 0 | 0 | 107.3 | S211 | S211-D213 PolarHBondContact O-N 3.44Š| ||
| 214 | P | 56.8 | Low | 51.8 | Low | 99 Ų | 99 | 122.3 Ų | 122.3 | 64% | 0.643 | 75% | 0.752 | S | S | * | * | trans | -77.6 | 137.1 | 166.2 | 32.6 | -26.9 | 0 | 0 | 0 | 107.6 | ||||
| 215 | M | 57.6 | Low | 51.6 | Low | 164 Ų | 164 | 124.6 Ų | 124.6 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | trans | 99.6 | 76.9 | 173.4 | -51.4 | -59.9 | 114.7 | 0 | 0 | 116.1 | ||||
| 216 | A | 46.6 | Very low | 51.5 | Low | 96 Ų | 96 | 130.3 Ų | 130.3 | 79% | 0.793 | 77% | 0.772 | S | S | * | * | trans | -135.4 | 79.6 | 136.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | N218 | A216-N218 PolarHBondContact O-N 3.32Š| ||
| 217 | C | 49.4 | Very low | 50.8 | Low | 114 Ų | 114 | 127.4 Ų | 127.4 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | -64.5 | 100.2 | 159 | 45.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 218 | N | 57.1 | Low | 50.7 | Low | 155 Ų | 155 | 123.8 Ų | 123.8 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | trans | -139.8 | 98 | 162.2 | -116.8 | -84.3 | 0 | 0 | 0 | 108.6 | A216 | A216-N218 PolarHBondContact O-N 3.32Š| ||
| 219 | S | 49.3 | Very low | 51.1 | Low | 119 Ų | 119 | 126.7 Ų | 126.7 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | -149.7 | 153.7 | 161.8 | -87.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 220 | P | 52.1 | Low | 50.3 | Low | 109 Ų | 109 | 124 Ų | 124 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | -97 | 153.8 | -124.6 | 35 | -35.5 | 0 | 0 | 0 | 112.9 | S222 | P220-S222 PolarHBondContact O-N 3.22Å; P220-S222 VanDerWaalsContact O-N 3.15Å | |||
| 221 | Q | 47.4 | Very low | 50.3 | Low | 195 Ų | 195 | 125 Ų | 125 | 91% | 0.911 | 76% | 0.762 | S | S | * | * | trans | -76.4 | 99.3 | 168.9 | -158 | 104.8 | 29.6 | 0 | 0 | 109.1 | ||||
| 222 | S | 49.9 | Very low | 50.3 | Low | 100 Ų | 100 | 125.6 Ų | 125.6 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | trans | -83.2 | 125.1 | 160.6 | -55.7 | 0 | 0 | 0 | 0 | 109 | P220 A224 | P220-S222 PolarHBondContact O-N 3.22Å; P220-S222 VanDerWaalsContact O-N 3.15Å; S222-A224 PolarHBondContact O-N 3.05Å | ||
| 223 | P | 58.1 | Low | 49.5 | Very low | 117 Ų | 117 | 131.6 Ų | 131.6 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | trans | -84.7 | 108.8 | 162.5 | 29.3 | -26.1 | 0 | 0 | 0 | 109.3 | V225 | P223-V225 PolarHBondContact O-N 3.15Š| ||
| 224 | A | 55.9 | Low | 48.9 | Very low | 85 Ų | 85 | 129.5 Ų | 129.5 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | trans | -74.7 | 113.2 | 157.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | S222 | S222-A224 PolarHBondContact O-N 3.05Š| ||
| 225 | V | 53.3 | Low | 48.2 | Very low | 130 Ų | 130 | 133 Ų | 133 | 79% | 0.788 | 78% | 0.776 | S | S | * | * | trans | -142.8 | 82.9 | 155.2 | -73.5 | 0 | 0 | 0 | 0 | 108.1 | P223 D227 | P223-V225 PolarHBondContact O-N 3.15Å; V225-D227 VanDerWaalsContact C-N 3.27Å; V225-D227 PolarHBondContact O-N 3.45Å | ||
| 226 | W | 55.1 | Low | 47.2 | Very low | 224 Ų | 224 | 129.8 Ų | 129.8 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | trans | -75.3 | 93.8 | 153 | 48.5 | -84.7 | 0 | 0 | 0 | 105.2 | ||||
| 227 | D | 43.3 | Very low | 46.8 | Very low | 103 Ų | 103 | 133.4 Ų | 133.4 | 55% | 0.551 | 77% | 0.774 | S | S | * | * | trans | -85.8 | 112 | 167.8 | -165.5 | -60 | 0 | 0 | 0 | 107.9 | V225 Q229 | V225-D227 VanDerWaalsContact C-N 3.27Å; V225-D227 PolarHBondContact O-N 3.45Å; D227-Q229 WeakPolarHBondContact OD1-CG 3.46Å; D227-Q229 PolarHBondContact OD1-N 3.26Å; D227-Q229 PolarHBondContact OD1-NE2 3.45Å; D227-Q229 PolarHBondContact OD1-OE1 3.5Å; D227-Q229 PolarHBondContact OD2-NE2 3.22Å | ||
| 228 | A | 46.6 | Very low | 46.1 | Very low | 86 Ų | 86 | 136.7 Ų | 136.7 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | -97.5 | 75 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | G230 | A228-G230 PolarHBondContact O-N 2.99Š| ||
| 229 | Q | 44.8 | Very low | 45.9 | Very low | 158 Ų | 158 | 133.9 Ų | 133.9 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | trans | -79.7 | 96.8 | 162.8 | -96.5 | 115.3 | 44.8 | 0 | 0 | 109.8 | D227 | D227-Q229 WeakPolarHBondContact OD1-CG 3.46Å; D227-Q229 PolarHBondContact OD1-N 3.26Å; D227-Q229 PolarHBondContact OD1-NE2 3.45Å; D227-Q229 PolarHBondContact OD1-OE1 3.5Å; D227-Q229 PolarHBondContact OD2-NE2 3.22Å | ||
| 230 | G | 38.8 | Very low | 45.3 | Very low | 70 Ų | 70 | 137.3 Ų | 137.3 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | trans | -67.3 | 154.4 | 151.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | A228 | A228-G230 PolarHBondContact O-N 2.99Š| ||
| 231 | P | 51.5 | Low | 44.8 | Very low | 124 Ų | 124 | 137 Ų | 137 | 81% | 0.805 | 77% | 0.771 | S | S | * | * | trans | -120 | 120.5 | 146 | 30 | -18.4 | 0 | 0 | 0 | 110 | R233 | P231-R233 PolarHBondContact O-N 2.8Š| ||
| 232 | S | 40.6 | Very low | 44.3 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | trans | -59.7 | 113.5 | 162.5 | -48 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 233 | R | 36.2 | Very low | 43.7 | Very low | 243 Ų | 243 | 138.7 Ų | 138.7 | 92% | 0.917 | 78% | 0.777 | S | S | * | * | trans | -148 | 124 | 146.4 | -70.2 | -158.9 | 172.5 | -146.8 | -3.9 | 110.6 | P231 | P231-R233 PolarHBondContact O-N 2.8Š| ||
| 234 | S | 37.5 | Very low | 42.6 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -56.1 | 145.3 | 170.6 | 31.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 235 | H | 41.9 | Very low | 41.8 | Very low | 174 Ų | 174 | 138.4 Ų | 138.4 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | 176 | 117.9 | 129.8 | -96.1 | 63.5 | 0 | 0 | 0 | 111.8 | |||||
| 236 | S | 36.8 | Very low | 41.3 | Very low | 95 Ų | 95 | 136.5 Ų | 136.5 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | trans | 26 | 139.4 | 139.6 | 73.4 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 237 | L | 36.7 | Very low | 40.9 | Very low | 173 Ų | 173 | 130.8 Ų | 130.8 | 91% | 0.906 | 78% | 0.777 | S | S | * | * | trans | 100 | 137.1 | 148.2 | -63.2 | 163.9 | 0 | 0 | 0 | 119.8 | ||||
| 238 | Q | 35.9 | Very low | 40.9 | Very low | 183 Ų | 183 | 133.3 Ų | 133.3 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -87.6 | -168.1 | -173.5 | -153.6 | -173 | -6.3 | 0 | 0 | 110.9 | ||||
| 239 | P | 53.1 | Low | 41 | Very low | 95 Ų | 95 | 139.4 Ų | 139.4 | 62% | 0.617 | 80% | 0.802 | S | S | * | * | -106.4 | 163.8 | -94.2 | 38.3 | -24 | 0 | 0 | 0 | 114.3 | |||||
| 240 | Q | 35.7 | Very low | 41.5 | Very low | 191 Ų | 191 | 139.6 Ų | 139.6 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | -151 | 136.7 | 154.6 | -80.4 | -60.4 | -45.4 | 0 | 0 | 111.7 | ||||
| 241 | S | 42 | Very low | 41.7 | Very low | 102 Ų | 102 | 143.4 Ų | 143.4 | 71% | 0.713 | 81% | 0.811 | S | S | * | * | trans | -85.2 | 148 | 175.6 | 92 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 242 | I | 37.2 | Very low | 41.4 | Very low | 170 Ų | 170 | 144.2 Ų | 144.2 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | trans | -156.9 | 137.6 | 145.6 | 38.4 | 171.6 | 0 | 0 | 0 | 111.5 | ||||
| 243 | N | 37.7 | Very low | 41.8 | Very low | 161 Ų | 161 | 143.9 Ų | 143.9 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | -48.9 | 147.7 | 169.6 | -66.5 | -45.2 | 0 | 0 | 0 | 113.7 | ||||
| 244 | A | 34.6 | Very low | 42.2 | Very low | 95 Ų | 95 | 136.8 Ų | 136.8 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | 153.5 | 142.6 | 105.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 245 | A | 37.8 | Very low | 42.8 | Very low | 102 Ų | 102 | 138.2 Ų | 138.2 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | 74.2 | 106 | 148 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 246 | A | 42.9 | Very low | 42.9 | Very low | 89 Ų | 89 | 140.9 Ų | 140.9 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | -58.3 | 166.8 | 154.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 247 | S | 46.9 | Very low | 43.1 | Very low | 104 Ų | 104 | 147 Ų | 147 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | 100.7 | 106.6 | 157.7 | -38.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 248 | N | 44.1 | Very low | 43.1 | Very low | 157 Ų | 157 | 144.4 Ų | 144.4 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | trans | -173.1 | 76.1 | 140.3 | -85.5 | -30.6 | 0 | 0 | 0 | 109.3 | ||||
| 249 | F | 49.1 | Very low | 43.2 | Very low | 214 Ų | 214 | 140.3 Ų | 140.3 | 94% | 0.939 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -125.6 | 26.7 | 173.2 | -108.3 | -79.1 | 0 | 0 | 0 | 112.5 | ||
| 250 | L | 54.3 | Low | 42.8 | Very low | 161 Ų | 161 | 141 Ų | 141 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -133.1 | 13.6 | -174.5 | -80.8 | 168.7 | 0 | 0 | 0 | 116.3 | ||||
| 251 | D | 44 | Very low | 42.8 | Very low | 151 Ų | 151 | 135.2 Ų | 135.2 | 81% | 0.807 | 80% | 0.801 | S | S | * | * | trans | -102.7 | 32 | -176.6 | -132.5 | -70.5 | 0 | 0 | 0 | 115.2 | ||||
| 252 | N | 45 | Very low | 42.6 | Very low | 140 Ų | 140 | 136.3 Ų | 136.3 | 75% | 0.749 | 81% | 0.808 | S | S | * | * | trans | -134.4 | 59.9 | 175.4 | -162.8 | 9.5 | 0 | 0 | 0 | 113.1 | ||||
| 253 | T | 48.6 | Very low | 42.6 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 72% | 0.718 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -135.9 | 5.2 | 164.4 | 50.3 | 0 | 0 | 0 | 0 | 114.7 | N255 | T253-N255 PolarHBondContact O-N 2.83Š|
| 254 | S | 45.3 | Very low | 42.6 | Very low | 94 Ų | 94 | 133.9 Ų | 133.9 | 66% | 0.657 | 80% | 0.803 | S | S | * | * | trans | -90.7 | 1.7 | -168.1 | -54.9 | 0 | 0 | 0 | 0 | 116.1 | W256 | S254-W256 PolarHBondContact O-N 2.98Š| ||
| 255 | N | 49.3 | Very low | 42.8 | Very low | 134 Ų | 134 | 133.9 Ų | 133.9 | 72% | 0.717 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | 11.1 | -171.6 | -81.9 | 69.1 | 0 | 0 | 0 | 116.8 | T253 | T253-N255 PolarHBondContact O-N 2.83Š|
| 256 | W | 43.3 | Very low | 43.5 | Very low | 231 Ų | 231 | 134.7 Ų | 134.7 | 88% | 0.875 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | 1.2 | -176.6 | -75.9 | 82 | 0 | 0 | 0 | 115.8 | S254 | S254-W256 PolarHBondContact O-N 2.98Š|
| 257 | Y | 40.9 | Very low | 43.5 | Very low | 222 Ų | 222 | 137.3 Ų | 137.3 | 87% | 0.871 | 80% | 0.796 | S | S | * | * | trans | -139 | 87.2 | 173.9 | -73.1 | -81.9 | 0 | 0 | 0 | 111.4 | A259 | Y257-A259 PolarHBondContact O-N 3.24Š| ||
| 258 | S | 38.1 | Very low | 43 | Very low | 119 Ų | 119 | 140.3 Ų | 140.3 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -84.5 | 102 | 161.7 | -64.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 259 | A | 37.9 | Very low | 42.9 | Very low | 97 Ų | 97 | 140.3 Ų | 140.3 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | trans | -66.6 | 135.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y257 | Y257-A259 PolarHBondContact O-N 3.24Š| ||
| 260 | A | 43.9 | Very low | 42.7 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | trans | -65.2 | 134.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 261 | G | 35.3 | Very low | 42.5 | Very low | 70 Ų | 70 | 134.4 Ų | 134.4 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | 177.5 | 93.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 262 | S | 38.1 | Very low | 42.1 | Very low | 124 Ų | 124 | 134.6 Ų | 134.6 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | trans | 54.3 | 110.4 | 147 | -55.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 263 | S | 37.5 | Very low | 41.8 | Very low | 113 Ų | 113 | 132 Ų | 132 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | -145.5 | 136.1 | 136.1 | 61.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 264 | M | 37.3 | Very low | 41.6 | Very low | 168 Ų | 168 | 133.6 Ų | 133.6 | 83% | 0.828 | 79% | 0.785 | S | S | * | * | trans | -64.6 | 131.7 | -175 | 31.3 | -93.5 | 156.8 | 0 | 0 | 116.7 | ||||
| 265 | A | 38.3 | Very low | 41.5 | Very low | 95 Ų | 95 | 136.1 Ų | 136.1 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | 61.6 | 166.5 | 136.1 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 266 | P | 52.7 | Low | 41 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | cis | -131.7 | 172.9 | -15.7 | 34.6 | -14.9 | 0 | 0 | 0 | 115.5 | ||||
| 267 | H | 44 | Very low | 40.9 | Very low | 145 Ų | 145 | 132.6 Ų | 132.6 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | trans | 60.5 | 109 | 141.1 | -176.8 | -88.7 | 0 | 0 | 0 | 120.8 | ||||
| 268 | L | 36.9 | Very low | 41.1 | Very low | 166 Ų | 166 | 130.5 Ų | 130.5 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | -160.8 | 139.2 | 127.2 | -103.2 | 150.7 | 0 | 0 | 0 | 111.4 | |||||
| 269 | Q | 40.8 | Very low | 41.4 | Very low | 158 Ų | 158 | 129.3 Ų | 129.3 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | trans | -93.7 | 134.7 | -166.5 | -179.6 | 158.4 | 2.1 | 0 | 0 | 111 | ||||
| 270 | T | 44.9 | Very low | 41.8 | Very low | 138 Ų | 138 | 133.2 Ų | 133.2 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | trans | -145.5 | 141.7 | 157.7 | 49.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 271 | P | 50.4 | Low | 41.7 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | -102.8 | 163.1 | -167.7 | 38.8 | -33.5 | 0 | 0 | 0 | 115.2 | ||||
| 272 | N | 36.4 | Very low | 42.2 | Very low | 154 Ų | 154 | 133.4 Ų | 133.4 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | 53.6 | 119.8 | 154.1 | -81.7 | -1.2 | 0 | 0 | 0 | 119.9 | ||||
| 273 | S | 38.5 | Very low | 42.3 | Very low | 87 Ų | 87 | 131.3 Ų | 131.3 | 61% | 0.608 | 79% | 0.793 | S | S | * | * | 69.5 | 97.6 | 61.1 | -177.4 | 0 | 0 | 0 | 0 | 115 | |||||
| 274 | I | 44.5 | Very low | 42.9 | Very low | 150 Ų | 150 | 132.7 Ų | 132.7 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -147.9 | 95.7 | 142.4 | -62 | -166.6 | 0 | 0 | 0 | 105.9 | ||||
| 275 | Q | 41.8 | Very low | 43.3 | Very low | 147 Ų | 147 | 132.3 Ų | 132.3 | 69% | 0.687 | 80% | 0.798 | S | S | * | * | 50.3 | 92.9 | 92.1 | -67.5 | -71.6 | -25.5 | 0 | 0 | 114.1 | |||||
| 276 | H | 38.8 | Very low | 43.9 | Very low | 186 Ų | 186 | 142.2 Ų | 142.2 | 86% | 0.861 | 82% | 0.817 | S | S | * | * | trans | -122.7 | 104.7 | 152 | -80.3 | -91 | 0 | 0 | 0 | 108.7 | ||||
| 277 | S | 42.1 | Very low | 43.5 | Very low | 105 Ų | 105 | 143.4 Ų | 143.4 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | trans | -74.8 | 138.7 | 175.5 | -6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 278 | L | 44.2 | Very low | 43.4 | Very low | 178 Ų | 178 | 143.3 Ų | 143.3 | 93% | 0.932 | 83% | 0.827 | S | S | * | * | trans | -74.9 | 134.9 | 162.5 | -68.6 | 161.4 | 0 | 0 | 0 | 109.4 | ||||
| 279 | A | 44.5 | Very low | 43.8 | Very low | 94 Ų | 94 | 142.1 Ų | 142.1 | 78% | 0.777 | 83% | 0.825 | S | S | * | * | trans | -153.6 | 105.7 | 160 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 280 | L | 46.5 | Very low | 44 | Very low | 179 Ų | 179 | 141.1 Ų | 141.1 | 94% | 0.937 | 83% | 0.83 | S | S | * | * | trans | 25 | 133.4 | 137.8 | -57.9 | 171.5 | 0 | 0 | 0 | 120.4 | ||||
| 281 | G | 43 | Very low | 43.9 | Very low | 79 Ų | 79 | 141.3 Ų | 141.3 | 81% | 0.814 | 83% | 0.829 | S | S | * | * | trans | -76.6 | 168 | 166.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 282 | A | 45 | Very low | 43.5 | Very low | 104 Ų | 104 | 143.2 Ų | 143.2 | 86% | 0.86 | 84% | 0.835 | S | S | * | * | trans | -160.3 | 127.3 | 149.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 283 | G | 39.5 | Very low | 44 | Very low | 80 Ų | 80 | 142.4 Ų | 142.4 | 83% | 0.825 | 84% | 0.836 | S | S | * | * | trans | -77.4 | 155.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 284 | T | 50.2 | Low | 44.4 | Very low | 143 Ų | 143 | 146.7 Ų | 146.7 | 88% | 0.877 | 85% | 0.853 | S | S | * | * | trans | -148.1 | 133.6 | 152.6 | -175.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 285 | L | 45.4 | Very low | 44.4 | Very low | 159 Ų | 159 | 146.4 Ų | 146.4 | 83% | 0.832 | 86% | 0.86 | S | S | * | * | trans | -65.1 | 138.3 | 165.4 | -71.3 | 151.6 | 0 | 0 | 0 | 109.4 | ||||
| 286 | Y | 52 | Low | 44.7 | Very low | 303 Ų | 303 | 146.4 Ų | 146.4 | 100% | 1.188 | 88% | 0.876 | S | S | * | * | -167.6 | 0 | 114.7 | -123.1 | -90.3 | 0 | 0 | 0 | 109.7 |
Retrieved 286 of 286 residues in 227.6 ms
(Link to these results)