| 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 | 41.3 | Very low | 45.8 | Very low | 225 Ų | 225 | 164.4 Ų | 164.4 | 100% | 1.108 | 82% | 0.819 | S | S | * | * | 0 | 160.8 | 0 | -78.2 | -176.4 | 71.6 | 0 | 0 | 108.9 | |||||
| 2 | P | 61.7 | Low | 45.6 | Very low | 119 Ų | 119 | 168.1 Ų | 168.1 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | cis | -127.8 | -178.3 | 1.5 | 27.2 | -4.3 | 0 | 0 | 0 | 115.9 | ||||
| 3 | K | 45 | Very low | 45 | Very low | 199 Ų | 199 | 163.4 Ų | 163.4 | 87% | 0.865 | 82% | 0.82 | S | S | * | * | trans | -68.4 | 159.3 | -178 | -57.2 | 153.6 | 174.3 | 175.8 | 0 | 115 | ||||
| 4 | G | 41 | Very low | 44.6 | Very low | 69 Ų | 69 | 158.1 Ų | 158.1 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | trans | 116.3 | 156 | 150 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 5 | F | 42.1 | Very low | 44.1 | Very low | 196 Ų | 196 | 159.2 Ų | 159.2 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | cis | -158.9 | 125.7 | -9.2 | -144.3 | -97.2 | 0 | 0 | 0 | 112.3 | ||||
| 6 | L | 46.9 | Very low | 43.7 | Very low | 135 Ų | 135 | 157.1 Ų | 157.1 | 71% | 0.707 | 81% | 0.811 | S | S | * | * | trans | 43.4 | 116.1 | 147.7 | -149.2 | 147.6 | 0 | 0 | 0 | 121.5 | ||||
| 7 | V | 50.2 | Low | 43.4 | Very low | 124 Ų | 124 | 153.5 Ų | 153.5 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | trans | -73.5 | 123.5 | 170.5 | 174.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 8 | K | 47.5 | Very low | 42.8 | Very low | 177 Ų | 177 | 156.6 Ų | 156.6 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | -106.2 | 85.7 | -179.1 | -164.7 | 169 | -173.6 | 173.1 | 0 | 113.4 | ||||
| 9 | R | 44.6 | Very low | 42.5 | Very low | 224 Ų | 224 | 161.2 Ų | 161.2 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | trans | -90.6 | 107.6 | 164 | -79.5 | -173.1 | 170.9 | 112.4 | -3.2 | 110 | K11 | R9-K11 PolarHBondContact O-N 3.39Š| ||
| 10 | N | 39.5 | Very low | 42.2 | Very low | 140 Ų | 140 | 159.7 Ų | 159.7 | 75% | 0.749 | 81% | 0.81 | S | S | * | * | trans | -71.9 | 99 | 173.9 | -80.4 | 6.5 | 0 | 0 | 0 | 110.8 | K12 | N10-K12 PolarHBondContact O-N 2.81Š| ||
| 11 | K | 43.9 | Very low | 42 | Very low | 200 Ų | 200 | 162.6 Ų | 162.6 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | trans | -73.8 | 110.5 | 168.2 | 179.1 | -177.9 | 178.5 | -177.3 | 0 | 109.1 | R9 | R9-K11 PolarHBondContact O-N 3.39Š| ||
| 12 | K | 43.3 | Very low | 41.6 | Very low | 209 Ų | 209 | 156.6 Ų | 156.6 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 119.1 | 167.9 | -154.9 | 170.7 | -173.2 | -179.6 | 0 | 108.6 | N10 | N10-K12 PolarHBondContact O-N 2.81Š|
| 13 | S | 38.4 | Very low | 40.6 | Very low | 107 Ų | 107 | 157.8 Ų | 157.8 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 122 | -170.6 | 45.4 | 0 | 0 | 0 | 0 | 112.4 | ||
| 14 | A | 38.6 | Very low | 40.4 | Very low | 90 Ų | 90 | 156.5 Ų | 156.5 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 137.9 | 159 | 0 | 0 | 0 | 0 | 0 | 109.3 | V16 | A14-V16 PolarHBondContact O-N 3.37Š|
| 15 | H | 37.5 | Very low | 40.1 | Very low | 174 Ų | 174 | 161.1 Ų | 161.1 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | trans | -83 | 104.6 | -176 | -175.7 | -89.2 | 0 | 0 | 0 | 110.9 | ||||
| 16 | V | 37.8 | Very low | 39.9 | Very low | 125 Ų | 125 | 159.3 Ų | 159.3 | 76% | 0.758 | 80% | 0.796 | S | S | * | * | trans | -96.4 | 98.3 | 174.9 | -179.3 | 0 | 0 | 0 | 0 | 108.7 | A14 Y18 | A14-V16 PolarHBondContact O-N 3.37Å; V16-Y18 PolarHBondContact O-N 3.14Å | ||
| 17 | S | 37.8 | Very low | 39.6 | Very low | 97 Ų | 97 | 159.7 Ų | 159.7 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | trans | -79.2 | 105.7 | 173.9 | 54.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 18 | Y | 34.2 | Very low | 38.9 | Very low | 208 Ų | 208 | 162.8 Ų | 162.8 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 148 | 163.7 | -127.9 | -98 | 0 | 0 | 0 | 110 | V16 | V16-Y18 PolarHBondContact O-N 3.14Š|
| 19 | R | 36.7 | Very low | 38.3 | Very low | 244 Ų | 244 | 161.8 Ų | 161.8 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 116.1 | 163.2 | -81.7 | -177.2 | 171.2 | 172 | -3.8 | 108.4 | ||
| 20 | T | 36.4 | Very low | 37.6 | Very low | 131 Ų | 131 | 157.6 Ų | 157.6 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 154.4 | 169.1 | -23 | 0 | 0 | 0 | 0 | 109.4 | ||
| 21 | R | 36.8 | Very low | 37.1 | Very low | 221 Ų | 221 | 159 Ų | 159 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 152.2 | 162.6 | -82.4 | 176.6 | 153 | 150.6 | -11.8 | 109.6 | ||
| 22 | S | 34.8 | Very low | 36.6 | Very low | 100 Ų | 100 | 155.8 Ų | 155.8 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 122.6 | 156.8 | -68.8 | 0 | 0 | 0 | 0 | 108 | ||
| 23 | D | 38.9 | Very low | 36.7 | Very low | 144 Ų | 144 | 151.3 Ų | 151.3 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | -134.7 | 111.7 | 160.8 | -69.8 | -77.4 | 0 | 0 | 0 | 103.3 | ||||
| 24 | E | 41.3 | Very low | 36.3 | Very low | 172 Ų | 172 | 151.1 Ų | 151.1 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -140.5 | 102.9 | -177.1 | 57 | -164.4 | 90.8 | 0 | 0 | 110.6 | ||||
| 25 | D | 36 | Very low | 35.7 | Very low | 166 Ų | 166 | 151.6 Ų | 151.6 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -105.7 | 128.8 | 165.7 | -93.4 | -70.5 | 0 | 0 | 0 | 107.2 | ||||
| 26 | D | 36.1 | Very low | 35.6 | Very low | 157 Ų | 157 | 151.5 Ų | 151.5 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | trans | -152.3 | 142.1 | 147.9 | -132.7 | -36.4 | 0 | 0 | 0 | 113.5 | ||||
| 27 | L | 41.3 | Very low | 36.3 | Very low | 144 Ų | 144 | 150.8 Ų | 150.8 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | trans | -79.5 | 156.3 | -158.2 | -64.2 | 151.7 | 0 | 0 | 0 | 115 | ||||
| 28 | Q | 34.8 | Very low | 35.8 | Very low | 189 Ų | 189 | 153.2 Ų | 153.2 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | trans | -157 | 136.1 | 132 | -153.9 | 67.8 | 72.3 | 0 | 0 | 111.3 | ||||
| 29 | E | 35.7 | Very low | 35.9 | Very low | 156 Ų | 156 | 148.4 Ų | 148.4 | 73% | 0.729 | 81% | 0.806 | S | S | * | * | trans | -94.2 | 154.5 | -176.5 | -60.9 | -169.3 | 112.6 | 0 | 0 | 114.5 | ||||
| 30 | L | 30.1 | Very low | 36.7 | Very low | 136 Ų | 136 | 142.6 Ų | 142.6 | 71% | 0.712 | 80% | 0.8 | S | S | * | * | 167.6 | 156.1 | 108.9 | -92 | 164.4 | 0 | 0 | 0 | 115.5 | |||||
| 31 | H | 30 | Very low | 36.5 | Very low | 170 Ų | 170 | 142.2 Ų | 142.2 | 79% | 0.787 | 79% | 0.793 | S | S | * | * | trans | 73.1 | 100.8 | 159.3 | -58.9 | 127.5 | 0 | 0 | 0 | 122.4 | ||||
| 32 | T | 31.6 | Very low | 36.2 | Very low | 131 Ų | 131 | 141.9 Ų | 141.9 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -83.1 | 178.5 | 137.2 | 51.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 33 | P | 45.6 | Very low | 36.1 | Very low | 115 Ų | 115 | 141.3 Ų | 141.3 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | cis | -143.4 | 170.6 | 12.9 | 43.8 | -24.3 | 0 | 0 | 0 | 119.5 | ||||
| 34 | A | 29.9 | Very low | 35.8 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | 45 | 129 | 142.9 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 35 | A | 27.5 | Very low | 35.4 | Very low | 101 Ų | 101 | 137.7 Ų | 137.7 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | -149.5 | 165.6 | 152 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 36 | L | 33.9 | Very low | 35.4 | Very low | 171 Ų | 171 | 135 Ų | 135 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | trans | -115.8 | -145.3 | -164.6 | -69.6 | 164.4 | 0 | 0 | 0 | 113.8 | ||||
| 37 | P | 53.8 | Low | 36.3 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | -130.7 | -172.5 | -101 | 42.9 | -26.4 | 0 | 0 | 0 | 115 | |||||
| 38 | T | 27.5 | Very low | 36 | Very low | 148 Ų | 148 | 133.2 Ų | 133.2 | 91% | 0.908 | 78% | 0.784 | S | S | * | * | trans | -169 | 154.2 | 140.9 | 8.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 39 | S | 34.4 | Very low | 35.8 | Very low | 108 Ų | 108 | 134 Ų | 134 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -163.4 | 176.6 | 168.9 | 66.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 40 | P | 55.3 | Low | 35.8 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | cis | -117.3 | -131.8 | 11.3 | 25.4 | 2.1 | 0 | 0 | 0 | 111.6 | ||||
| 41 | D | 31.1 | Very low | 36 | Very low | 124 Ų | 124 | 130.6 Ų | 130.6 | 66% | 0.663 | 79% | 0.791 | S | S | * | * | cis | -162.9 | 163.3 | 7.2 | -171.2 | 27.4 | 0 | 0 | 0 | 113.1 | ||||
| 42 | R | 31.6 | Very low | 36.2 | Very low | 213 Ų | 213 | 126.7 Ų | 126.7 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | 60.9 | 131.9 | 166.4 | -77.8 | 161.6 | 171.4 | -155.9 | -9.3 | 119 | ||||
| 43 | A | 32 | Very low | 36.2 | Very low | 88 Ų | 88 | 128.1 Ų | 128.1 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | 78 | 143.7 | 51.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 44 | S | 33.2 | Very low | 35.9 | Very low | 106 Ų | 106 | 126.3 Ų | 126.3 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | cis | -162.5 | -175.8 | 28.5 | -63.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 45 | V | 31.7 | Very low | 36.7 | Very low | 134 Ų | 134 | 127.1 Ų | 127.1 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | trans | 92.7 | 132.6 | 154.3 | -167.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 46 | S | 36.7 | Very low | 37.7 | Very low | 110 Ų | 110 | 128.4 Ų | 128.4 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | -129.1 | 161.1 | 158.8 | -48.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 47 | P | 54.8 | Low | 38.7 | Very low | 121 Ų | 121 | 124.7 Ų | 124.7 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | -149.4 | 171 | 120.5 | 37.4 | -20.7 | 0 | 0 | 0 | 116.1 | |||||
| 48 | D | 34.3 | Very low | 38 | Very low | 142 Ų | 142 | 130.2 Ų | 130.2 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | trans | -79.2 | 167.8 | -175.7 | -49.5 | -105.5 | 0 | 0 | 0 | 116.4 | ||||
| 49 | F | 31.9 | Very low | 38.4 | Very low | 205 Ų | 205 | 130.1 Ų | 130.1 | 90% | 0.899 | 77% | 0.765 | S | S | * | * | trans | -162.8 | 89.7 | 139.6 | -109.7 | -67.1 | 0 | 0 | 0 | 115.9 | ||||
| 50 | V | 34.6 | Very low | 38.4 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | trans | 36.8 | 117.2 | 135.1 | -169.5 | 0 | 0 | 0 | 0 | 124 | ||||
| 51 | A | 34.8 | Very low | 37.4 | Very low | 100 Ų | 100 | 133.6 Ų | 133.6 | 83% | 0.826 | 76% | 0.756 | S | S | * | * | trans | 49.3 | 163.9 | 139.2 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 52 | A | 33.9 | Very low | 38.4 | Very low | 89 Ų | 89 | 132.2 Ų | 132.2 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | cis | -139 | -179.9 | 0.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 53 | D | 32.6 | Very low | 38.5 | Very low | 160 Ų | 160 | 130.3 Ų | 130.3 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | cis | -156.6 | -174.1 | 29.3 | -148.8 | -63.7 | 0 | 0 | 0 | 111.9 | ||||
| 54 | A | 37.9 | Very low | 38.8 | Very low | 77 Ų | 77 | 133.5 Ų | 133.5 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | trans | -117.6 | -162.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 55 | P | 47.3 | Very low | 38.8 | Very low | 120 Ų | 120 | 137.9 Ų | 137.9 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | cis | -112.1 | 165.2 | 4.4 | 12.7 | 14.3 | 0 | 0 | 0 | 114.6 | ||||
| 56 | V | 48.9 | Very low | 38.7 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | cis | 88.2 | 135.9 | 38.2 | 165 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 57 | P | 54.9 | Low | 38.9 | Very low | 94 Ų | 94 | 137.1 Ų | 137.1 | 61% | 0.61 | 76% | 0.759 | S | S | * | * | cis | -152.6 | -171.3 | -24.1 | 44 | -23.3 | 0 | 0 | 0 | 118.9 | ||||
| 58 | R | 39.8 | Very low | 38.7 | Very low | 225 Ų | 225 | 136 Ų | 136 | 85% | 0.849 | 75% | 0.752 | S | S | * | * | trans | 74.5 | 156.5 | 143.8 | -85.4 | 169.8 | -169.1 | 168.2 | 3.1 | 121.6 | ||||
| 59 | L | 34.3 | Very low | 38.7 | Very low | 147 Ų | 147 | 138 Ų | 138 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | cis | -152 | -176 | -6 | -165.8 | 55.3 | 0 | 0 | 0 | 112.1 | ||||
| 60 | E | 34.8 | Very low | 38.9 | Very low | 129 Ų | 129 | 132.6 Ų | 132.6 | 60% | 0.603 | 75% | 0.75 | S | S | * | * | trans | -101.9 | 162.7 | -156.5 | -53.2 | 167.8 | 85.3 | 0 | 0 | 120.3 | ||||
| 61 | K | 35.1 | Very low | 39 | Very low | 172 Ų | 172 | 133.7 Ų | 133.7 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | 71.1 | 171.7 | 129.6 | -83.2 | 172.5 | -174.6 | 160.8 | 0 | 123.2 | |||||
| 62 | P | 51.3 | Low | 38.8 | Very low | 96 Ų | 96 | 134.7 Ų | 134.7 | 62% | 0.623 | 76% | 0.756 | S | S | * | * | cis | -144.7 | -168 | -39.7 | 43.2 | -25.1 | 0 | 0 | 0 | 116.6 | ||||
| 63 | E | 33 | Very low | 38.8 | Very low | 172 Ų | 172 | 139.9 Ų | 139.9 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | 66.9 | 170.1 | 152.7 | -73.1 | 168.9 | 147.5 | 0 | 0 | 121.9 | ||||
| 64 | Q | 39.8 | Very low | 38.9 | Very low | 156 Ų | 156 | 136.8 Ų | 136.8 | 73% | 0.729 | 76% | 0.762 | S | S | * | * | -161.8 | 162.8 | -60.6 | -154.7 | -173.5 | -0.8 | 0 | 0 | 111.8 | |||||
| 65 | F | 32.3 | Very low | 38.8 | Very low | 198 Ų | 198 | 141.2 Ų | 141.2 | 87% | 0.868 | 77% | 0.773 | S | S | * | * | trans | 77.3 | 148.6 | 154.4 | -117.9 | -85 | 0 | 0 | 0 | 121 | ||||
| 66 | G | 29.9 | Very low | 38.1 | Very low | 68 Ų | 68 | 145.8 Ų | 145.8 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | trans | 145 | 136.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 67 | N | 40.4 | Very low | 37.6 | Very low | 160 Ų | 160 | 144.4 Ų | 144.4 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | trans | -174.9 | 176 | 174.4 | -134.8 | 4.6 | 0 | 0 | 0 | 108.5 | ||||
| 68 | P | 49.9 | Very low | 37.3 | Very low | 96 Ų | 96 | 145.5 Ų | 145.5 | 62% | 0.623 | 78% | 0.779 | S | S | * | * | cis | -136.6 | -173.7 | -7.1 | 44.7 | -27.3 | 0 | 0 | 0 | 115.8 | ||||
| 69 | E | 34.6 | Very low | 37.1 | Very low | 184 Ų | 184 | 140.8 Ų | 140.8 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | 56.4 | 140.6 | 154.7 | -74.7 | -166.3 | 122.2 | 0 | 0 | 124.1 | ||||
| 70 | A | 36.4 | Very low | 37.4 | Very low | 92 Ų | 92 | 143.8 Ų | 143.8 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | trans | 61.2 | 104.6 | 146.2 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 71 | V | 36.8 | Very low | 38.2 | Very low | 145 Ų | 145 | 143.5 Ų | 143.5 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | -137.2 | 138 | 141.6 | 179.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 72 | C | 31 | Very low | 38.1 | Very low | 120 Ų | 120 | 142.1 Ų | 142.1 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | -101.6 | 140.5 | 174.6 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 73 | Q | 33.8 | Very low | 37.4 | Very low | 198 Ų | 198 | 142.7 Ų | 142.7 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | trans | -158.4 | 152.1 | 148.7 | -117.8 | 166.1 | 14.7 | 0 | 0 | 112.2 | ||||
| 74 | A | 33.6 | Very low | 37.7 | Very low | 95 Ų | 95 | 141.9 Ų | 141.9 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -131.8 | 136.7 | -179 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 75 | I | 36.3 | Very low | 37.6 | Very low | 170 Ų | 170 | 141.4 Ų | 141.4 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | trans | -136.8 | 147.8 | 167.4 | -56.2 | -178.2 | 0 | 0 | 0 | 107.2 | ||||
| 76 | Y | 33.5 | Very low | 37.8 | Very low | 216 Ų | 216 | 141.2 Ų | 141.2 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | trans | -138.3 | 156.6 | -164.6 | -144.6 | -87.3 | 0 | 0 | 0 | 110.8 | ||||
| 77 | S | 38.2 | Very low | 38.1 | Very low | 100 Ų | 100 | 143.7 Ų | 143.7 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | trans | 77.5 | 160.9 | 171.6 | -35.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 78 | P | 48.7 | Very low | 38 | Very low | 116 Ų | 116 | 146.8 Ų | 146.8 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | cis | -107.6 | -153.9 | 2.4 | 27.7 | -5.1 | 0 | 0 | 0 | 111.5 | ||||
| 79 | T | 35.8 | Very low | 37.2 | Very low | 127 Ų | 127 | 145 Ų | 145 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | cis | -156.8 | -175.8 | 11.9 | -27.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 80 | R | 39.3 | Very low | 37.2 | Very low | 210 Ų | 210 | 146.5 Ų | 146.5 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | trans | -135.6 | 161.8 | 160.8 | -77.9 | -175.4 | 170.2 | -175 | -2.9 | 109.5 | I82 | R80-I82 HydrophobicContact CB-CG1 4.43Š| ||
| 81 | P | 52.6 | Low | 37.1 | Very low | 122 Ų | 122 | 150.6 Ų | 150.6 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | -126.9 | 155.2 | 92.9 | 34.5 | -25.4 | 0 | 0 | 0 | 112 | |||||
| 82 | I | 33.8 | Very low | 36.9 | Very low | 144 Ų | 144 | 152.2 Ų | 152.2 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | cis | 89.1 | 111.9 | 34.2 | -66.2 | 176.1 | 0 | 0 | 0 | 114.2 | R80 | R80-I82 HydrophobicContact CB-CG1 4.43Š| ||
| 83 | S | 35.3 | Very low | 37 | Very low | 108 Ų | 108 | 157.8 Ų | 157.8 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | 148.3 | 136.1 | 152.3 | -173.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 84 | K | 39.3 | Very low | 37.2 | Very low | 155 Ų | 155 | 152.6 Ų | 152.6 | 67% | 0.674 | 77% | 0.769 | S | S | * | * | cis | -157.5 | 158.2 | -15.3 | -116.1 | 178.2 | 168.8 | -76.3 | 0 | 110.9 | ||||
| 85 | E | 37.3 | Very low | 37.2 | Very low | 145 Ų | 145 | 157.1 Ų | 157.1 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | trans | 3.1 | 129.9 | 161.4 | -62.3 | 117.6 | -155.1 | 0 | 0 | 122.3 | ||||
| 86 | H | 38.1 | Very low | 37.2 | Very low | 195 Ų | 195 | 155.7 Ų | 155.7 | 90% | 0.903 | 77% | 0.765 | S | S | * | * | -148.8 | 172.3 | 103.7 | -147.8 | -99.9 | 0 | 0 | 0 | 111.5 | |||||
| 87 | D | 35.8 | Very low | 37.6 | Very low | 120 Ų | 120 | 153.3 Ų | 153.3 | 64% | 0.642 | 77% | 0.766 | S | S | * | * | trans | -124.9 | 161.6 | -143.7 | -174.3 | 32.8 | 0 | 0 | 0 | 116.8 | ||||
| 88 | R | 37.3 | Very low | 37.1 | Very low | 224 Ų | 224 | 152.1 Ų | 152.1 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | trans | 67.1 | 141 | 169.2 | -71.8 | 146.8 | 61.6 | 165.4 | 0.5 | 119.1 | ||||
| 89 | G | 33.2 | Very low | 36.8 | Very low | 59 Ų | 59 | 152.3 Ų | 152.3 | 61% | 0.608 | 77% | 0.774 | S | S | * | * | cis | 159.8 | 158.6 | -7.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 90 | Y | 34.7 | Very low | 38.1 | Very low | 215 Ų | 215 | 151.9 Ų | 151.9 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | trans | 65.4 | 146.9 | -176 | -64.8 | -92.2 | 0 | 0 | 0 | 115.3 | ||||
| 91 | F | 34 | Very low | 37.7 | Very low | 178 Ų | 178 | 148.3 Ų | 148.3 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | cis | -143.8 | 120.1 | 7 | -139.6 | -61.8 | 0 | 0 | 0 | 109.9 | ||||
| 92 | E | 32.7 | Very low | 37 | Very low | 180 Ų | 180 | 147.9 Ų | 147.9 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | trans | -145.4 | 134.4 | 162.8 | -172.8 | 171.8 | -156 | 0 | 0 | 109.3 | ||||
| 93 | R | 34.5 | Very low | 37.2 | Very low | 236 Ų | 236 | 145.5 Ų | 145.5 | 89% | 0.891 | 78% | 0.776 | S | S | * | * | trans | -148.7 | 116.5 | 167 | -161.6 | 171.6 | -166 | 162.2 | 6 | 109.7 | ||||
| 94 | S | 37 | Very low | 37.1 | Very low | 89 Ų | 89 | 149.4 Ų | 149.4 | 62% | 0.622 | 78% | 0.783 | S | S | * | * | trans | -75.7 | 157.5 | -170.4 | -41.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 95 | F | 34.7 | Very low | 37 | Very low | 191 Ų | 191 | 147 Ų | 147 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | 2.4 | 140.3 | 148.1 | -68.3 | -96.7 | 0 | 0 | 0 | 119 | ||||
| 96 | N | 35.2 | Very low | 37 | Very low | 140 Ų | 140 | 150.1 Ų | 150.1 | 75% | 0.749 | 80% | 0.797 | S | S | * | * | -165.7 | 136.9 | 101.9 | -100.1 | -62.3 | 0 | 0 | 0 | 114.4 | |||||
| 97 | L | 42.9 | Very low | 37.4 | Very low | 165 Ų | 165 | 146.7 Ų | 146.7 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | 29.8 | 127.5 | 144.2 | -56 | 169.9 | 0 | 0 | 0 | 121.5 | ||||
| 98 | G | 28 | Very low | 37.3 | Very low | 75 Ų | 75 | 145.6 Ų | 145.6 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | 175.5 | 121 | 160 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 99 | S | 41 | Very low | 37.3 | Very low | 121 Ų | 121 | 140 Ų | 140 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | -178.8 | 159.8 | 172.3 | -83.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 100 | P | 63 | Low | 37.3 | Very low | 117 Ų | 117 | 142.3 Ų | 142.3 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | cis | -126.2 | -144.2 | -9.1 | 41.3 | -23.7 | 0 | 0 | 0 | 111.3 | ||||
| 101 | V | 31.6 | Very low | 37.3 | Very low | 136 Ų | 136 | 137.1 Ų | 137.1 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | 76 | 141.8 | 171.7 | 133 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 102 | S | 37.3 | Very low | 37.4 | Very low | 112 Ų | 112 | 136.3 Ų | 136.3 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | cis | -137.1 | 179.4 | 1.3 | -128.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 103 | A | 38.3 | Very low | 37.6 | Very low | 95 Ų | 95 | 133.1 Ų | 133.1 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -123.5 | 139.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 104 | E | 33.9 | Very low | 37.6 | Very low | 190 Ų | 190 | 124.9 Ų | 124.9 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -151.9 | 162.5 | 174.7 | -62.8 | -171.9 | 108.1 | 0 | 0 | 108.5 | ||||
| 105 | S | 37.4 | Very low | 37.5 | Very low | 103 Ų | 103 | 128.5 Ų | 128.5 | 72% | 0.72 | 81% | 0.81 | S | S | * | * | cis | -170.9 | 142.8 | -33.8 | -90.4 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 106 | F | 36.6 | Very low | 37.5 | Very low | 211 Ų | 211 | 125.4 Ų | 125.4 | 93% | 0.925 | 80% | 0.802 | S | S | * | * | trans | -76.9 | 141.6 | 177.9 | -73.2 | -96.9 | 0 | 0 | 0 | 112 | ||||
| 107 | P | 47.4 | Very low | 37.6 | Very low | 124 Ų | 124 | 125.9 Ų | 125.9 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | trans | -97.3 | 125 | 163.7 | 34 | -28.3 | 0 | 0 | 0 | 111.7 | ||||
| 108 | A | 33.2 | Very low | 37.3 | Very low | 96 Ų | 96 | 124.3 Ų | 124.3 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | trans | -151.8 | 134.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 109 | A | 37.4 | Very low | 37.7 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 88% | 0.884 | 80% | 0.797 | S | S | * | * | trans | 57.9 | 114 | 165.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 110 | A | 33.6 | Very low | 37.4 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | trans | -129.2 | 158 | 144.9 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 111 | S | 34.5 | Very low | 36 | Very low | 105 Ų | 105 | 131.1 Ų | 131.1 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -142.9 | -167 | -158 | 60.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 112 | L | 36 | Very low | 37 | Very low | 161 Ų | 161 | 130.1 Ų | 130.1 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | 82.6 | 131.4 | -177.7 | -49.5 | 176.6 | 0 | 0 | 0 | 113.7 | ||||
| 113 | S | 36.8 | Very low | 36.7 | Very low | 114 Ų | 114 | 130.9 Ų | 130.9 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | cis | -151.6 | 172.5 | 0.4 | -89.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 114 | G | 32.9 | Very low | 36.6 | Very low | 62 Ų | 62 | 132.9 Ų | 132.9 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | cis | 137.4 | 147.3 | 0.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 115 | L | 36.3 | Very low | 36.8 | Very low | 166 Ų | 166 | 130.8 Ų | 130.8 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | trans | 69.7 | 140.3 | -174.1 | -56.4 | 171 | 0 | 0 | 0 | 114.3 | ||||
| 116 | D | 33.7 | Very low | 36.8 | Very low | 126 Ų | 126 | 134.2 Ų | 134.2 | 67% | 0.674 | 78% | 0.778 | S | S | * | * | cis | -158.1 | 174.9 | -3.5 | -142.3 | -30 | 0 | 0 | 0 | 113.7 | ||||
| 117 | H | 37 | Very low | 36.7 | Very low | 149 Ų | 149 | 132 Ų | 132 | 69% | 0.69 | 77% | 0.774 | S | S | * | * | trans | 78.3 | 118.7 | 146.8 | -95.9 | -77 | 0 | 0 | 0 | 123.7 | ||||
| 118 | L | 38.3 | Very low | 35.8 | Very low | 133 Ų | 133 | 129.1 Ų | 129.1 | 70% | 0.696 | 77% | 0.767 | S | S | * | * | trans | 91.2 | 96 | 143.8 | -56.6 | -176.3 | 0 | 0 | 0 | 123.9 | ||||
| 119 | L | 35.6 | Very low | 36.1 | Very low | 168 Ų | 168 | 131.7 Ų | 131.7 | 88% | 0.88 | 77% | 0.767 | S | S | * | * | 71 | 168.6 | 123.3 | -64.3 | 179.5 | 0 | 0 | 0 | 121.1 | |||||
| 120 | Y | 33.7 | Very low | 36 | Very low | 217 Ų | 217 | 131.8 Ų | 131.8 | 85% | 0.851 | 75% | 0.753 | S | S | * | * | trans | -145.6 | 122.7 | -145.4 | 174.4 | -96.3 | 0 | 0 | 0 | 113.2 | ||||
| 121 | A | 33.9 | Very low | 36.2 | Very low | 70 Ų | 70 | 137 Ų | 137 | 58% | 0.579 | 75% | 0.749 | S | S | * | * | trans | 69.3 | -179.8 | 149.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 122 | P | 52.9 | Low | 36.1 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | cis | -139.5 | -173.9 | -49.4 | 31.4 | -11.3 | 0 | 0 | 0 | 115.9 | ||||
| 123 | V | 31.5 | Very low | 35.9 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | trans | 88.5 | 144.1 | 157.8 | -173.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 124 | D | 36.8 | Very low | 35.8 | Very low | 138 Ų | 138 | 135.3 Ų | 135.3 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | trans | -48.2 | 152.8 | -178.7 | -57.7 | -114.5 | 0 | 0 | 0 | 118.8 | ||||
| 125 | L | 37.9 | Very low | 35.8 | Very low | 146 Ų | 146 | 142.2 Ų | 142.2 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | -171.7 | 130.1 | 116.8 | -124.8 | 66.9 | 0 | 0 | 0 | 116.8 | |||||
| 126 | K | 37.1 | Very low | 35.6 | Very low | 175 Ų | 175 | 145.6 Ų | 145.6 | 76% | 0.761 | 76% | 0.758 | S | S | * | * | trans | 68.9 | 158.1 | 132.7 | -103.3 | 173.1 | -172.6 | 162.7 | 0 | 124.5 | ||||
| 127 | I | 34.9 | Very low | 36.3 | Very low | 164 Ų | 164 | 145 Ų | 145 | 84% | 0.841 | 76% | 0.761 | S | S | * | * | trans | 76.7 | 142 | 160.3 | -59.8 | 142.5 | 0 | 0 | 0 | 116.7 | ||||
| 128 | G | 29 | Very low | 36.1 | Very low | 63 Ų | 63 | 142.7 Ų | 142.7 | 65% | 0.649 | 77% | 0.768 | S | S | * | * | cis | 145.9 | 141.6 | -15 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 129 | N | 37.8 | Very low | 35.8 | Very low | 151 Ų | 151 | 140.4 Ų | 140.4 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | trans | 73.9 | 158 | 170.3 | -102.7 | -15.4 | 0 | 0 | 0 | 117.4 | ||||
| 130 | N | 35.8 | Very low | 35.4 | Very low | 108 Ų | 108 | 141.6 Ų | 141.6 | 58% | 0.578 | 77% | 0.77 | S | S | * | * | cis | -160.6 | 163.1 | 14.3 | -139.5 | -32.2 | 0 | 0 | 0 | 115.3 | ||||
| 131 | R | 37 | Very low | 35.3 | Very low | 217 Ų | 217 | 134.3 Ų | 134.3 | 82% | 0.819 | 76% | 0.76 | S | S | * | * | trans | 70.8 | 152.8 | 157 | -66 | 169.6 | -171.6 | -169.3 | -0.5 | 118.7 | ||||
| 132 | V | 32.9 | Very low | 35.3 | Very low | 139 Ų | 139 | 135.4 Ų | 135.4 | 84% | 0.842 | 77% | 0.769 | S | S | * | * | cis | -146.1 | 177.1 | 2.9 | 98.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 133 | A | 32.6 | Very low | 34.5 | Very low | 81 Ų | 81 | 136.6 Ų | 136.6 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | trans | -81.4 | 177.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 134 | T | 34.5 | Very low | 34.8 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 77% | 0.767 | 77% | 0.766 | S | S | * | * | cis | -161.1 | 147.4 | 49.7 | 51.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 135 | K | 32.5 | Very low | 34.7 | Very low | 208 Ų | 208 | 143.3 Ų | 143.3 | 90% | 0.904 | 77% | 0.771 | S | S | * | * | trans | 68.2 | 111.2 | 143.2 | -74.4 | -174.2 | 175.2 | -178 | 0 | 124.1 | ||||
| 136 | R | 32.7 | Very low | 35.1 | Very low | 237 Ų | 237 | 141.2 Ų | 141.2 | 89% | 0.894 | 77% | 0.767 | S | S | * | * | trans | -62.8 | -175.7 | 144.6 | -92.7 | 177.9 | 177.7 | 176.5 | -1.7 | 113 | ||||
| 137 | P | 48.1 | Very low | 35.1 | Very low | 113 Ų | 113 | 142.5 Ų | 142.5 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | cis | -132.5 | 159.8 | 18.8 | 19.6 | 8.6 | 0 | 0 | 0 | 117.1 | ||||
| 138 | A | 32.7 | Very low | 34.8 | Very low | 101 Ų | 101 | 139.1 Ų | 139.1 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | 72 | 159.7 | 89.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 139 | A | 31.2 | Very low | 35.2 | Very low | 85 Ų | 85 | 141 Ų | 141 | 70% | 0.702 | 78% | 0.778 | S | S | * | * | cis | -155.3 | 153.6 | 6.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 140 | E | 28.6 | Very low | 35.4 | Very low | 193 Ų | 193 | 138.7 Ų | 138.7 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | 84 | 154.9 | 106.9 | -86.1 | -62.4 | 155.1 | 0 | 0 | 120.2 | |||||
| 141 | G | 31.1 | Very low | 36 | Very low | 63 Ų | 63 | 143 Ų | 143 | 65% | 0.649 | 79% | 0.788 | S | S | * | * | trans | 101 | 104.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 142 | A | 34.6 | Very low | 36.7 | Very low | 94 Ų | 94 | 142.5 Ų | 142.5 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | 75.9 | 127 | 53.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 143 | E | 34.7 | Very low | 37.5 | Very low | 140 Ų | 140 | 141.8 Ų | 141.8 | 65% | 0.654 | 79% | 0.789 | S | S | * | * | -176.3 | 164 | 76.1 | -108.4 | -85.7 | 61.9 | 0 | 0 | 114.5 | |||||
| 144 | R | 37.8 | Very low | 38.4 | Very low | 210 Ų | 210 | 147.8 Ų | 147.8 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | trans | 80.8 | 147.5 | 153.6 | -72.2 | 152.8 | -154 | -165 | 5.9 | 125.4 | ||||
| 145 | K | 34.4 | Very low | 38.5 | Very low | 196 Ų | 196 | 146.5 Ų | 146.5 | 85% | 0.852 | 80% | 0.802 | S | S | * | * | trans | -125.9 | -172.7 | 174.1 | -93.7 | -179.9 | 177.3 | 172.1 | 0 | 107.3 | ||||
| 146 | P | 47.6 | Very low | 39.2 | Very low | 103 Ų | 103 | 143.3 Ų | 143.3 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | cis | -149.1 | -172.1 | 16.3 | 47.2 | -27.3 | 0 | 0 | 0 | 118.6 | ||||
| 147 | K | 35.9 | Very low | 39.5 | Very low | 201 Ų | 201 | 143.7 Ų | 143.7 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | 68.2 | 153.2 | 157.4 | -73.8 | 174 | -175.6 | 179.3 | 0 | 117.3 | ||||
| 148 | A | 29.6 | Very low | 39.3 | Very low | 94 Ų | 94 | 146.2 Ų | 146.2 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | cis | -164.3 | -168 | -14.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 149 | A | 37.4 | Very low | 39.8 | Very low | 101 Ų | 101 | 148.3 Ų | 148.3 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | 87 | 114.2 | 160.4 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 150 | S | 42.6 | Very low | 40.3 | Very low | 103 Ų | 103 | 151 Ų | 151 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | -48.7 | 142.6 | 167.4 | 52.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 151 | K | 48.3 | Very low | 41 | Very low | 200 Ų | 200 | 149 Ų | 149 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | 176 | 134.5 | 114.9 | -92.5 | 157.2 | -174.4 | 177.1 | 0 | 110.7 | |||||
| 152 | K | 50.2 | Low | 41.7 | Very low | 206 Ų | 206 | 154.1 Ų | 154.1 | 90% | 0.896 | 79% | 0.789 | S | S | * | * | trans | -127.9 | 117.9 | 171.7 | -72 | -175.3 | -179.8 | 179.7 | 0 | 110.4 | ||||
| 153 | P | 51.5 | Low | 42.1 | Very low | 124 Ų | 124 | 155.3 Ų | 155.3 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | trans | -73.5 | 159.3 | 163.3 | 31.9 | -32.9 | 0 | 0 | 0 | 110.7 | A155 | P153-A155 PolarHBondContact O-N 3.09Š| ||
| 154 | K | 49.8 | Very low | 42.6 | Very low | 207 Ų | 207 | 156.9 Ų | 156.9 | 90% | 0.9 | 79% | 0.789 | S | S | * | * | trans | -81.9 | 96.8 | -175.8 | -70.3 | 165.5 | 178.4 | 172.1 | 0 | 111 | I156 | K154-I156 PolarHBondContact O-N 3.5Š| ||
| 155 | A | 36.7 | Very low | 42.6 | Very low | 97 Ų | 97 | 152.2 Ų | 152.2 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | trans | -72.1 | 107.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | P153 R157 | P153-A155 PolarHBondContact O-N 3.09Å; A155-R157 PolarHBondContact O-N 3.26Å; A155-R157 VanDerWaalsContact O-N 3.13Å | ||
| 156 | I | 46.8 | Very low | 43.3 | Very low | 141 Ų | 141 | 149.4 Ų | 149.4 | 72% | 0.723 | 78% | 0.783 | S | S | * | * | trans | -68.7 | 109.1 | 173.6 | -57.4 | 172.4 | 0 | 0 | 0 | 107.3 | K154 K158 | K154-I156 PolarHBondContact O-N 3.5Å; I156-K158 HydrophobicContact CG2-CG 4.02Å; I156-K158 PolarHBondContact O-N 3.3Å | ||
| 157 | R | 39.2 | Very low | 43.3 | Very low | 246 Ų | 246 | 149.6 Ų | 149.6 | 93% | 0.928 | 78% | 0.783 | S | S | * | * | trans | -68.9 | 80.9 | 167 | -92.9 | -177.3 | 158.6 | 152.4 | -6.1 | 109 | A155 L159 | A155-R157 PolarHBondContact O-N 3.26Å; A155-R157 VanDerWaalsContact O-N 3.13Å; R157-L159 PolarHBondContact O-N 3.4Å | ||
| 158 | K | 44.7 | Very low | 43.4 | Very low | 166 Ų | 166 | 144.2 Ų | 144.2 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | trans | -62.2 | 115.5 | 161.3 | -70 | -177.8 | 176.8 | -178.6 | 0 | 106.8 | I156 N160 | I156-K158 HydrophobicContact CG2-CG 4.02Å; I156-K158 PolarHBondContact O-N 3.3Å; K158-N160 PolarHBondContact O-N 3.05Å | ||
| 159 | L | 42.4 | Very low | 44.4 | Very low | 144 Ų | 144 | 145.7 Ų | 145.7 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | trans | -38.3 | 127.8 | 161.7 | 42.3 | 151.6 | 0 | 0 | 0 | 110.8 | R157 F161 | R157-L159 PolarHBondContact O-N 3.4Å; L159-F161 PolarHBondContact O-N 3.44Å | ||
| 160 | N | 42 | Very low | 45 | Very low | 141 Ų | 141 | 145.5 Ų | 145.5 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | trans | -71.8 | 85.9 | 164.6 | -80.2 | 8.1 | 0 | 0 | 0 | 107.8 | K158 E162 | K158-N160 PolarHBondContact O-N 3.05Å; N160-E162 HydrophobicContact CB-CG 4.39Å; N160-E162 PolarHBondContact O-N 3.35Å | ||
| 161 | F | 44.8 | Very low | 45.5 | Very low | 151 Ų | 151 | 147.2 Ų | 147.2 | 66% | 0.662 | 76% | 0.761 | S | S | * | * | trans | -84.1 | 79.3 | 158.3 | -160.6 | -94.6 | 0 | 0 | 0 | 106.3 | L159 D163 | L159-F161 PolarHBondContact O-N 3.44Å; F161-D163 VanDerWaalsContact CE1-OD1 3.32Å; F161-D163 WeakPolarHBondContact CE1-OD1 3.29Å; F161-D163 PolarHBondContact O-N 3.09Å; F161-D163 VanDerWaalsContact O-N 3.1Å | ||
| 162 | E | 45.8 | Very low | 45.5 | Very low | 172 Ų | 172 | 140.1 Ų | 140.1 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | -72.9 | 98.4 | 169.6 | -70.4 | -178 | 129.7 | 0 | 0 | 106.5 | N160 E164 | N160-E162 HydrophobicContact CB-CG 4.39Å; N160-E162 PolarHBondContact O-N 3.35Å; E162-E164 PolarHBondContact O-N 3.47Å | ||
| 163 | D | 41.3 | Very low | 45.7 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 63% | 0.631 | 73% | 0.727 | S | S | * | * | trans | -48.3 | 134.2 | -172.6 | -89.9 | -67.9 | 0 | 0 | 0 | 112.5 | F161 V165 | F161-D163 VanDerWaalsContact CE1-OD1 3.32Å; F161-D163 WeakPolarHBondContact CE1-OD1 3.29Å; F161-D163 PolarHBondContact O-N 3.09Å; F161-D163 VanDerWaalsContact O-N 3.1Å; D163-V165 VanDerWaalsContact C-N 3.31Å; D163-V165 PolarHBondContact O-N 3.12Å | ||
| 164 | E | 45 | Very low | 45.6 | Very low | 173 Ų | 173 | 138.3 Ų | 138.3 | 81% | 0.808 | 73% | 0.728 | S | S | * | * | trans | -60.3 | 98.2 | 160 | -75.7 | -168 | 95.2 | 0 | 0 | 108.4 | E162 T166 | E162-E164 PolarHBondContact O-N 3.47Å; E164-T166 PolarHBondContact O-N 3.46Å | ||
| 165 | V | 39 | Very low | 45.7 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 69% | 0.685 | 72% | 0.719 | S | S | * | * | trans | -65.9 | 90.7 | 174.2 | -177.7 | 0 | 0 | 0 | 0 | 108.3 | D163 T167 | D163-V165 VanDerWaalsContact C-N 3.31Å; D163-V165 PolarHBondContact O-N 3.12Å; V165-T167 HydrophobicContact CG1-CG2 3.73Å; V165-T167 PolarHBondContact O-N 3.21Å | ||
| 166 | T | 48 | Very low | 46.6 | Very low | 136 Ų | 136 | 140 Ų | 140 | 83% | 0.834 | 72% | 0.723 | S | S | * | * | trans | -73.3 | 43.5 | -177.8 | 35.8 | 0 | 0 | 0 | 0 | 112.3 | E164 | E164-T166 PolarHBondContact O-N 3.46Š| ||
| 167 | T | 47.8 | Very low | 46.5 | Very low | 108 Ų | 108 | 141.8 Ų | 141.8 | 66% | 0.663 | 73% | 0.728 | S | S | * | * | trans | -88.7 | 106.8 | 172.3 | 55.1 | 0 | 0 | 0 | 0 | 110.3 | V165 | V165-T167 HydrophobicContact CG1-CG2 3.73Å; V165-T167 PolarHBondContact O-N 3.21Å | ||
| 168 | S | 39.3 | Very low | 47.2 | Very low | 87 Ų | 87 | 132.8 Ų | 132.8 | 61% | 0.608 | 71% | 0.711 | S | S | * | * | trans | -48.7 | 130.9 | 173 | -179.5 | 0 | 0 | 0 | 0 | 112.2 | V170 | S168-V170 PolarHBondContact O-N 3.35Å; S168-V170 VanDerWaalsContact OG-CG2 3.24Å; S168-V170 WeakPolarHBondContact OG-CG2 3.49Å | ||
| 169 | P | 49.3 | Very low | 47.6 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 81% | 0.812 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -64 | 4.8 | -178.9 | -24.8 | 34.9 | 0 | 0 | 0 | 116.6 | L171 | P169-L171 PolarHBondContact O-N 3.34Š|
| 170 | V | 50.2 | Low | 48.2 | Very low | 97 Ų | 97 | 130 Ų | 130 | 59% | 0.588 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -76.9 | -10.8 | -159.8 | 169.4 | 0 | 0 | 0 | 0 | 115 | S168 | S168-V170 PolarHBondContact O-N 3.35Å; S168-V170 VanDerWaalsContact OG-CG2 3.24Å; S168-V170 WeakPolarHBondContact OG-CG2 3.49Å |
| 171 | L | 53.2 | Low | 48 | Very low | 140 Ų | 140 | 132.3 Ų | 132.3 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -124.2 | -4 | 179.9 | -68.8 | 177 | 0 | 0 | 0 | 115.9 | P169 L173 | P169-L171 PolarHBondContact O-N 3.34Å; L171-L173 HydrophobicContact CB-CD1 4.37Å; L171-L173 HydrophobicContact CB-CG 4.39Å; L171-L173 PolarHBondContact O-N 3.3Å |
| 172 | G | 48.2 | Very low | 47.9 | Very low | 50 Ų | 50 | 133 Ų | 133 | 52% | 0.515 | 73% | 0.73 | S | S | . | * | trans | 64.2 | 3.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | K174 | G172-K174 PolarHBondContact O-N 3.43Š| ||
| 173 | L | 54.6 | Low | 47.3 | Very low | 101 Ų | 101 | 134.7 Ų | 134.7 | 53% | 0.529 | 74% | 0.735 | S | S | . | * | trans | -74.1 | 85.3 | -179.8 | -66.6 | 172.6 | 0 | 0 | 0 | 111.1 | L171 L213 | L171-L173 HydrophobicContact CB-CD1 4.37Å; L171-L173 HydrophobicContact CB-CG 4.39Å; L171-L173 PolarHBondContact O-N 3.3Å; L173-L213 HydrophobicContact CD2-CD2 3.98Å; L173-L213 HydrophobicContact CD2-CG 4.32Å | ||
| 174 | K | 49.7 | Very low | 47.9 | Very low | 191 Ų | 191 | 134.9 Ų | 134.9 | 83% | 0.83 | 74% | 0.742 | S | S | * | * | trans | -103.5 | 91.7 | 168.5 | -172.7 | 161.9 | -174.7 | 165.3 | 0 | 110.6 | G172 | G172-K174 PolarHBondContact O-N 3.43Š| ||
| 175 | I | 52.5 | Low | 47.5 | Very low | 141 Ų | 141 | 138.4 Ų | 138.4 | 72% | 0.723 | 75% | 0.748 | S | S | * | * | trans | -64.7 | 133.1 | 167.8 | -58.1 | 175.2 | 0 | 0 | 0 | 107.7 | E177 | I175-E177 HydrophobicContact CG2-CG 4.29Š| ||
| 176 | K | 55.2 | Low | 47.2 | Very low | 200 Ų | 200 | 137.3 Ų | 137.3 | 87% | 0.87 | 75% | 0.751 | S | S | * | * | trans | -102.2 | 93 | 177.3 | -173.3 | -179.6 | -179.7 | -176.6 | 0 | 108.5 | ||||
| 177 | E | 45.1 | Very low | 47.1 | Very low | 178 Ų | 178 | 139.8 Ų | 139.8 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 136.3 | -178.6 | -60 | -164.5 | 166.3 | 0 | 0 | 111.8 | I175 | I175-E177 HydrophobicContact CG2-CG 4.29Š|
| 178 | G | 52.5 | Low | 46.6 | Very low | 56 Ų | 56 | 139.8 Ų | 139.8 | 58% | 0.577 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 155.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 179 | P | 53.8 | Low | 46.8 | Very low | 138 Ų | 138 | 141.2 Ų | 141.2 | 90% | 0.896 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 145.5 | -171.5 | 27.2 | -34.9 | 0 | 0 | 0 | 113.1 | ||
| 180 | V | 53.9 | Low | 46.5 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 70% | 0.697 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 133.8 | -178.5 | 179.5 | 0 | 0 | 0 | 0 | 111.1 | M182 | V180-M182 HydrophobicContact CG1-CG 3.98Š|
| 181 | E | 38.9 | Very low | 46 | Very low | 189 Ų | 189 | 138.1 Ų | 138.1 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | trans | -127 | 135.8 | 160.3 | -95.5 | -73.6 | 114.8 | 0 | 0 | 107.8 | ||||
| 182 | M | 43.1 | Very low | 45.5 | Very low | 166 Ų | 166 | 138.3 Ų | 138.3 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -118.5 | 126.6 | -173.4 | -80.3 | -164.4 | 175.3 | 0 | 0 | 113.3 | V180 | V180-M182 HydrophobicContact CG1-CG 3.98Š| ||
| 183 | K | 32.6 | Very low | 45.7 | Very low | 207 Ų | 207 | 144.9 Ų | 144.9 | 90% | 0.9 | 80% | 0.8 | S | S | * | * | trans | -155.1 | 143.8 | 150.8 | -140.3 | 154 | -176.2 | 172.6 | 0 | 111.9 | ||||
| 184 | P | 55 | Low | 45.5 | Very low | 121 Ų | 121 | 146.1 Ų | 146.1 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | trans | -107.7 | 164.1 | -165.1 | 39.4 | -35.6 | 0 | 0 | 0 | 116.4 | ||||
| 185 | R | 35.1 | Very low | 45.7 | Very low | 247 Ų | 247 | 144.4 Ų | 144.4 | 93% | 0.932 | 81% | 0.813 | S | S | * | * | trans | 112.2 | 150.4 | 145.6 | -159.2 | 171.5 | -172.1 | 176 | 3.9 | 117.7 | ||||
| 186 | A | 32.8 | Very low | 46 | Very low | 90 Ų | 90 | 140.3 Ų | 140.3 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | trans | 89.8 | 132.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 187 | Q | 46.7 | Very low | 46.7 | Very low | 188 Ų | 188 | 138.3 Ų | 138.3 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | -86.4 | 144.2 | 177.1 | -57 | 98.4 | -51.3 | 0 | 0 | 111.6 | ||||
| 188 | S | 37.9 | Very low | 48.2 | Very low | 108 Ų | 108 | 133 Ų | 133 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | -176.7 | 146.2 | 112.3 | -162.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 189 | S | 42.4 | Very low | 49.6 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | 7.4 | 133.5 | 154.1 | -52.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 190 | G | 43.9 | Very low | 50.9 | Low | 87 Ų | 87 | 126.9 Ų | 126.9 | 90% | 0.897 | 72% | 0.723 | S | S | * | * | trans | 95.8 | 91.8 | 150.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 191 | G | 39.8 | Very low | 51.7 | Low | 70 Ų | 70 | 128.4 Ų | 128.4 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | trans | 163.5 | 54.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | K193 | G191-K193 VanDerWaalsContact C-N 3.26Å; G191-K193 PolarHBondContact O-N 3.31Å | ||
| 192 | T | 42.2 | Very low | 53.4 | Low | 144 Ų | 144 | 123.6 Ų | 123.6 | 88% | 0.883 | 70% | 0.702 | S | S | * | * | trans | -68.7 | 80.7 | 173.3 | 49.2 | 0 | 0 | 0 | 0 | 111.1 | P194 | T192-P194 WeakPolarHBondContact O-CD 3.28Š| ||
| 193 | K | 52.2 | Low | 54.9 | Low | 189 Ų | 189 | 116.8 Ų | 116.8 | 82% | 0.822 | 67% | 0.671 | S | S | * | * | trans | -68.1 | 115.6 | 162.5 | -67.5 | 178.5 | 179.7 | 177.2 | 0 | 107.4 | G191 L195 | G191-K193 VanDerWaalsContact C-N 3.26Å; G191-K193 PolarHBondContact O-N 3.31Å; K193-L195 PolarHBondContact O-N 3.47Å | ||
| 194 | P | 51.1 | Low | 57.1 | Low | 126 Ų | 126 | 115 Ų | 115 | 82% | 0.818 | 66% | 0.663 | S | S | * | * | trans | -68.6 | 109.5 | -178.3 | 27 | -33 | 0 | 0 | 0 | 109.9 | T192 G196 | T192-P194 WeakPolarHBondContact O-CD 3.28Å; P194-G196 PolarHBondContact O-N 3.11Å; P194-G196 VanDerWaalsContact O-N 3.11Å | ||
| 195 | L | 52.9 | Low | 58.3 | Low | 155 Ų | 155 | 113.6 Ų | 113.6 | 81% | 0.812 | 65% | 0.646 | S | S | * | * | trans | -73.2 | 97.6 | 169.6 | -81 | 166 | 0 | 0 | 0 | 108.8 | K193 | K193-L195 PolarHBondContact O-N 3.47Š| ||
| 196 | G | 58.7 | Low | 60.6 | Low | 56 Ų | 56 | 104.9 Ų | 104.9 | 58% | 0.577 | 63% | 0.627 | S | S | * | * | S | Bend | trans | 51.2 | 94.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | P194 F198 | P194-G196 PolarHBondContact O-N 3.11Å; P194-G196 VanDerWaalsContact O-N 3.11Å; G196-F198 PolarHBondContact O-N 3.37Å |
| 197 | E | 69.3 | Low | 63 | Low | 157 Ų | 157 | 102.7 Ų | 102.7 | 73% | 0.734 | 60% | 0.6 | S | S | * | * | trans | -29.7 | 118.1 | 173.6 | -61.9 | 166.7 | -164.8 | 0 | 0 | 113.4 | V199 | E197-V199 HydrophobicContact CB-CG2 3.75Å; E197-V199 PolarHBondContact O-N 3.28Å | ||
| 198 | F | 78.4 | Confident | 64.7 | Low | 66 Ų | 66 | 97.9 Ų | 97.9 | 29% | 0.289 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.2 | 70.1 | -178.4 | -61.9 | -75.6 | 0 | 0 | 0 | 110.4 | G196 Y207 A208 P210 L213 | G196-F198 PolarHBondContact O-N 3.37Å; F198-Y207 WeakPolarHBondContact CB-O 3.45Å; F198-Y207 PolarHBondContact N-O 3.48Å; F198-Y207 WeakPolarHBondContact O-CD2 2.99Å; F198-Y207 PolarHBondContact O-N 3.1Å; F198-A208 WeakPolarHBondContact CD2-O 3.27Å; F198-P210 HydrophobicContact CD1-CB 3.76Å; F198-P210 HydrophobicContact CD1-CG 4.49Å; F198-P210 HydrophobicContact CE1-CB 3.69Å; F198-P210 HydrophobicContact CE1-CG 4.07Å; F198-P210 HydrophobicContact CE2-CG 4.47Å; F198-P210 HydrophobicContact CG-CB 4.31Å; F198-P210 HydrophobicContact CZ-CB 4.19Å; F198-P210 HydrophobicContact CZ-CG 4.06Å; F198-L213 HydrophobicContact CB-CB 4.17Å; F198-L213 HydrophobicContact CB-CD2 3.95Å |
| 199 | V | 80.8 | Confident | 66.9 | Low | 51 Ų | 51 | 97.4 Ų | 97.4 | 31% | 0.309 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.2 | 125.5 | -175.8 | -173.3 | 0 | 0 | 0 | 0 | 111.4 | E197 Q201 K204 E205 A206 | E197-V199 HydrophobicContact CB-CG2 3.75Å; E197-V199 PolarHBondContact O-N 3.28Å; V199-Q201 PolarHBondContact O-N 2.86Å; V199-K204 HydrophobicContact CG1-CB 4.44Å; V199-E205 WeakPolarHBondContact CA-O 3.33Å; V199-A206 HydrophobicContact CG2-CB 3.95Å |
| 200 | C | 81.1 | Confident | 68.8 | Low | 16 Ų | 16 | 95.2 Ų | 95.2 | 11% | 0.108 | 56% | 0.564 | C | S | . | * | trans | -72.5 | 116.9 | 168.5 | 178.5 | 0 | 0 | 0 | 0 | 109.7 | L202 C203 K204 E205 Y207 L213 | C200-L202 PolarHBondContact O-N 2.97Å; C200-C203 WeakPolarHBondContact CB-SG 3.33Å; C200-K204 WeakPolarHBondContact O-CA 3.24Å; C200-K204 PolarHBondContact O-N 3.37Å; C200-E205 PolarHBondContact N-O 3.2Å; C200-Y207 HydrophobicContact CB-CE2 3.97Å; C200-L213 HydrophobicContact CB-CD1 3.53Å | ||
| 201 | Q | 71.8 | Confident | 70.5 | Confident | 146 Ų | 146 | 98.5 Ų | 98.5 | 68% | 0.682 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -14.9 | -175.5 | -60.8 | -178.5 | 22.4 | 0 | 0 | 114.6 | V199 | V199-Q201 PolarHBondContact O-N 2.86Š|
| 202 | L | 72.9 | Confident | 72.5 | Confident | 89 Ų | 89 | 97 Ų | 97 | 47% | 0.466 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -47.1 | -174.6 | -60.2 | 177.9 | 0 | 0 | 0 | 113.4 | C200 R220 I221 | C200-L202 PolarHBondContact O-N 2.97Å; L202-R220 HydrophobicContact CB-CB 4.47Å; L202-R220 WeakPolarHBondContact O-CD 3.35Å; L202-I221 HydrophobicContact CD1-CD1 3.85Å; L202-I221 HydrophobicContact CD1-CG1 3.47Å; L202-I221 VanDerWaalsContact CD1-CG1 3.47Å |
| 203 | C | 74.9 | Confident | 74.5 | Confident | 23 Ų | 23 | 91.5 Ų | 91.5 | 16% | 0.155 | 50% | 0.497 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -22.3 | 171.9 | 51.7 | 0 | 0 | 0 | 0 | 113.2 | C200 E205 H216 C218 | C200-C203 WeakPolarHBondContact CB-SG 3.33Å; C203-E205 HydrophobicContact CB-CG 4.1Å; C203-E205 WeakPolarHBondContact CB-OE1 3.45Å; C203-E205 PolarHBondContact O-N 3.3Å; C203-H216 PolarHBondContact SG-NE2 3.11Å; C203-C218 VanDerWaalsContact CB-SG 3.59Å; C203-C218 PolarHBondContact N-SG 3.24Å |
| 204 | K | 78.8 | Confident | 75.7 | Confident | 169 Ų | 169 | 85.6 Ų | 85.6 | 74% | 0.735 | 48% | 0.484 | S | S | * | . | trans | 63.7 | 18.5 | -168.5 | -54.2 | -172.7 | 179.4 | -174.2 | 0 | 114.8 | V199 C200 | V199-K204 HydrophobicContact CG1-CB 4.44Å; C200-K204 WeakPolarHBondContact O-CA 3.24Å; C200-K204 PolarHBondContact O-N 3.37Å | ||
| 205 | E | 80.6 | Confident | 77 | Confident | 91 Ų | 91 | 86.1 Ų | 86.1 | 43% | 0.425 | 48% | 0.475 | S | S | . | . | trans | -71.1 | 134 | 166.6 | -68.2 | 164.9 | -130 | 0 | 0 | 109.7 | V199 C200 C203 Y207 H216 | V199-E205 WeakPolarHBondContact CA-O 3.33Å; C200-E205 PolarHBondContact N-O 3.2Å; C203-E205 HydrophobicContact CB-CG 4.1Å; C203-E205 WeakPolarHBondContact CB-OE1 3.45Å; C203-E205 PolarHBondContact O-N 3.3Å; E205-Y207 HydrophobicContact CB-CE1 4.34Å; E205-Y207 HydrophobicContact CB-CE2 4.09Å; E205-Y207 WeakPolarHBondContact CB-OH 3.41Å; E205-Y207 VanDerWaalsContact CD-OH 3.29Å; E205-Y207 PolarHBondContact OE2-OH 2.82Å; E205-H216 IonicContact OE2-CE1 3.03Å | ||
| 206 | A | 83.3 | Confident | 78.3 | Confident | 64 Ų | 64 | 81 Ų | 81 | 53% | 0.529 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 134.2 | 175 | 0 | 0 | 0 | 0 | 0 | 110.3 | V199 | V199-A206 HydrophobicContact CG2-CB 3.95Å |
| 207 | Y | 82.6 | Confident | 78.9 | Confident | 45 Ų | 45 | 87.7 Ų | 87.7 | 18% | 0.176 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 152.2 | 176.6 | -58.7 | -70 | 0 | 0 | 0 | 111.9 | F198 C200 E205 S212 L213 H216 | F198-Y207 WeakPolarHBondContact CB-O 3.45Å; F198-Y207 PolarHBondContact N-O 3.48Å; F198-Y207 WeakPolarHBondContact O-CD2 2.99Å; F198-Y207 PolarHBondContact O-N 3.1Å; C200-Y207 HydrophobicContact CB-CE2 3.97Å; E205-Y207 HydrophobicContact CB-CE1 4.34Å; E205-Y207 HydrophobicContact CB-CE2 4.09Å; E205-Y207 WeakPolarHBondContact CB-OH 3.41Å; E205-Y207 VanDerWaalsContact CD-OH 3.29Å; E205-Y207 PolarHBondContact OE2-OH 2.82Å; Y207-S212 WeakPolarHBondContact CB-OG 3.46Å; Y207-L213 HydrophobicContact CD2-CB 3.88Å; Y207-L213 HydrophobicContact CD2-CD1 3.81Å; Y207-L213 HydrophobicContact CD2-CG 4.44Å; Y207-L213 HydrophobicContact CE2-CD1 4.05Å; Y207-L213 HydrophobicContact CG-CB 4.43Å; Y207-H216 HydrophobicContact CE2-CB 4.04Å; Y207-H216 AromaticContact CE2-CG 3.89Å; Y207-H216 AromaticContact CZ-CG 3.69Å; Y207-H216 AromaticContact CZ-ND1 3.63Å; Y207-H216 PolarHBondContact OH-CE1 2.97Å; Y207-H216 VanDerWaalsContact OH-CG 3.28Å; Y207-H216 PolarHBondContact OH-ND1 3.47Å; Y207-H216 PolarHBondContact OH-NE2 2.81Å |
| 208 | A | 83.2 | Confident | 79.2 | Confident | 86 Ų | 86 | 80.3 Ų | 80.3 | 71% | 0.711 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -71.4 | -38.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F198 | F198-A208 WeakPolarHBondContact CD2-O 3.27Š|
| 209 | D | 84.1 | Confident | 78.5 | Confident | 99 Ų | 99 | 80.9 Ų | 80.9 | 53% | 0.529 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -119.8 | 143.2 | -175.2 | -67.2 | -64.3 | 0 | 0 | 0 | 112.8 | F211 S212 L213 | D209-F211 PolarHBondContact O-N 3.18Å; D209-S212 PolarHBondContact N-OG 3.32Å; D209-S212 PolarHBondContact O-N 2.82Å; D209-S212 PolarHBondContact O-OG 3.39Å; D209-L213 PolarHBondContact O-N 2.84Å; D209-L213 VanDerWaalsContact O-N 3.09Å |
| 210 | P | 81.7 | Confident | 77.4 | Confident | 70 Ų | 70 | 86.7 Ų | 86.7 | 46% | 0.455 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.4 | -27.7 | 173.7 | 25.4 | -31.9 | 0 | 0 | 0 | 112.3 | F198 A214 | F198-P210 HydrophobicContact CD1-CB 3.76Å; F198-P210 HydrophobicContact CD1-CG 4.49Å; F198-P210 HydrophobicContact CE1-CB 3.69Å; F198-P210 HydrophobicContact CE1-CG 4.07Å; F198-P210 HydrophobicContact CE2-CG 4.47Å; F198-P210 HydrophobicContact CG-CB 4.31Å; F198-P210 HydrophobicContact CZ-CB 4.19Å; F198-P210 HydrophobicContact CZ-CG 4.06Å; P210-A214 WeakPolarHBondContact O-CB 3.27Å; P210-A214 PolarHBondContact O-N 3.13Å |
| 211 | F | 81 | Confident | 76.5 | Confident | 156 Ų | 156 | 88.8 Ų | 88.8 | 68% | 0.684 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -68.2 | -40.7 | 174.1 | -169.6 | -93.3 | 0 | 0 | 0 | 111.9 | D209 A214 Q215 | D209-F211 PolarHBondContact O-N 3.18Å; F211-A214 PolarHBondContact O-N 3.09Å; F211-A214 VanDerWaalsContact O-N 3.16Å; F211-Q215 WeakPolarHBondContact O-CB 3.32Å; F211-Q215 PolarHBondContact O-N 3.39Å |
| 212 | S | 81.1 | Confident | 75.6 | Confident | 40 Ų | 40 | 86.7 Ų | 86.7 | 28% | 0.28 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67.6 | -35.4 | 175.9 | 63.6 | 0 | 0 | 0 | 0 | 112.4 | Y207 D209 Q215 H216 | Y207-S212 WeakPolarHBondContact CB-OG 3.46Å; D209-S212 PolarHBondContact N-OG 3.32Å; D209-S212 PolarHBondContact O-N 2.82Å; D209-S212 PolarHBondContact O-OG 3.39Å; S212-Q215 PolarHBondContact O-N 2.9Å; S212-H216 PolarHBondContact O-N 3.11Å; S212-H216 VanDerWaalsContact O-N 3.09Å |
| 213 | L | 84.4 | Confident | 74.6 | Confident | 28 Ų | 28 | 93.4 Ų | 93.4 | 15% | 0.147 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 167.4 | 172.1 | 61.6 | 0 | 0 | 0 | 112.1 | L173 F198 C200 Y207 D209 Q215 H216 | L173-L213 HydrophobicContact CD2-CD2 3.98Å; L173-L213 HydrophobicContact CD2-CG 4.32Å; F198-L213 HydrophobicContact CB-CB 4.17Å; F198-L213 HydrophobicContact CB-CD2 3.95Å; C200-L213 HydrophobicContact CB-CD1 3.53Å; Y207-L213 HydrophobicContact CD2-CB 3.88Å; Y207-L213 HydrophobicContact CD2-CD1 3.81Å; Y207-L213 HydrophobicContact CD2-CG 4.44Å; Y207-L213 HydrophobicContact CE2-CD1 4.05Å; Y207-L213 HydrophobicContact CG-CB 4.43Å; D209-L213 PolarHBondContact O-N 2.84Å; D209-L213 VanDerWaalsContact O-N 3.09Å; L213-Q215 VanDerWaalsContact C-N 3.33Å; L213-Q215 PolarHBondContact O-N 2.83Å; L213-H216 WeakPolarHBondContact O-CB 3.39Å; L213-H216 PolarHBondContact O-N 2.98Å |
| 214 | A | 77.2 | Confident | 74 | Confident | 65 Ų | 65 | 95.9 Ų | 95.9 | 54% | 0.537 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.5 | -29.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | P210 F211 | P210-A214 WeakPolarHBondContact O-CB 3.27Å; P210-A214 PolarHBondContact O-N 3.13Å; F211-A214 PolarHBondContact O-N 3.09Å; F211-A214 VanDerWaalsContact O-N 3.16Å |
| 215 | Q | 77.9 | Confident | 73.5 | Confident | 137 Ų | 137 | 92.9 Ų | 92.9 | 64% | 0.64 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -81.8 | -15.5 | 174.9 | -168.7 | 170.7 | -2.7 | 0 | 0 | 113 | F211 S212 L213 K217 | F211-Q215 WeakPolarHBondContact O-CB 3.32Å; F211-Q215 PolarHBondContact O-N 3.39Å; S212-Q215 PolarHBondContact O-N 2.9Å; L213-Q215 VanDerWaalsContact C-N 3.33Å; L213-Q215 PolarHBondContact O-N 2.83Å; Q215-K217 PolarHBondContact O-N 3.02Å |
| 216 | H | 80.5 | Confident | 73 | Confident | 48 Ų | 48 | 91.7 Ų | 91.7 | 22% | 0.222 | 48% | 0.475 | C | S | . | . | trans | -67.3 | 111.4 | -176.7 | 173.9 | 71.3 | 0 | 0 | 0 | 113 | C203 E205 Y207 S212 L213 C218 | C203-H216 PolarHBondContact SG-NE2 3.11Å; E205-H216 IonicContact OE2-CE1 3.03Å; Y207-H216 HydrophobicContact CE2-CB 4.04Å; Y207-H216 AromaticContact CE2-CG 3.89Å; Y207-H216 AromaticContact CZ-CG 3.69Å; Y207-H216 AromaticContact CZ-ND1 3.63Å; Y207-H216 PolarHBondContact OH-CE1 2.97Å; Y207-H216 VanDerWaalsContact OH-CG 3.28Å; Y207-H216 PolarHBondContact OH-ND1 3.47Å; Y207-H216 PolarHBondContact OH-NE2 2.81Å; S212-H216 PolarHBondContact O-N 3.11Å; S212-H216 VanDerWaalsContact O-N 3.09Å; L213-H216 WeakPolarHBondContact O-CB 3.39Å; L213-H216 PolarHBondContact O-N 2.98Å; H216-C218 WeakPolarHBondContact NE2-CA 3.37Å; H216-C218 VanDerWaalsContact NE2-CB 3.29Å; H216-C218 WeakPolarHBondContact NE2-CB 3.24Å; H216-C218 PolarHBondContact O-N 3.02Å; H216-C218 VanDerWaalsContact O-N 3.16Å | ||
| 217 | K | 70.8 | Confident | 72.8 | Confident | 196 Ų | 196 | 95.8 Ų | 95.8 | 85% | 0.852 | 48% | 0.477 | S | S | * | . | trans | -83.2 | 86.4 | 171.8 | -67.3 | 176.2 | -177.5 | 172.1 | 0 | 110 | Q215 S219 | Q215-K217 PolarHBondContact O-N 3.02Å; K217-S219 PolarHBondContact O-N 3.45Å | ||
| 218 | C | 75.2 | Confident | 72.8 | Confident | 1 Ų | 1 | 93.9 Ų | 93.9 | 1% | 0.007 | 47% | 0.47 | C | S | . | . | trans | -58.7 | 119.8 | -174.9 | -171.6 | 0 | 0 | 0 | 0 | 113.4 | C203 H216 R220 I221 | C203-C218 VanDerWaalsContact CB-SG 3.59Å; C203-C218 PolarHBondContact N-SG 3.24Å; H216-C218 WeakPolarHBondContact NE2-CA 3.37Å; H216-C218 VanDerWaalsContact NE2-CB 3.29Å; H216-C218 WeakPolarHBondContact NE2-CB 3.24Å; H216-C218 PolarHBondContact O-N 3.02Å; H216-C218 VanDerWaalsContact O-N 3.16Å; C218-R220 PolarHBondContact O-N 2.78Å; C218-R220 VanDerWaalsContact O-N 3.11Å; C218-I221 HydrophobicContact CB-CD1 3.81Å; C218-I221 HydrophobicContact CB-CG1 3.96Å; C218-I221 WeakPolarHBondContact O-CB 3.45Å; C218-I221 PolarHBondContact O-N 3.13Å | ||
| 219 | S | 64.6 | Low | 72.7 | Confident | 79 Ų | 79 | 94.5 Ų | 94.5 | 55% | 0.552 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -26 | 176.9 | 58.8 | 0 | 0 | 0 | 0 | 113.1 | K217 V222 | K217-S219 PolarHBondContact O-N 3.45Å; S219-V222 WeakPolarHBondContact O-CB 3.25Å; S219-V222 PolarHBondContact O-N 3Å |
| 220 | R | 58.6 | Low | 72.5 | Confident | 173 Ų | 173 | 93.7 Ų | 93.7 | 65% | 0.653 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -22.6 | 175.9 | -142.1 | 173.4 | -163.8 | 130.6 | 3.7 | 113.5 | L202 C218 V222 | L202-R220 HydrophobicContact CB-CB 4.47Å; L202-R220 WeakPolarHBondContact O-CD 3.35Å; C218-R220 PolarHBondContact O-N 2.78Å; C218-R220 VanDerWaalsContact O-N 3.11Å; R220-V222 VanDerWaalsContact C-N 3.3Å |
| 221 | I | 61 | Low | 72.5 | Confident | 60 Ų | 60 | 91.6 Ų | 91.6 | 31% | 0.308 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -69 | -33.5 | 168.1 | -59.1 | 168.3 | 0 | 0 | 0 | 110 | L202 C218 R223 V224 Y226 | L202-I221 HydrophobicContact CD1-CD1 3.85Å; L202-I221 HydrophobicContact CD1-CG1 3.47Å; L202-I221 VanDerWaalsContact CD1-CG1 3.47Å; C218-I221 HydrophobicContact CB-CD1 3.81Å; C218-I221 HydrophobicContact CB-CG1 3.96Å; C218-I221 WeakPolarHBondContact O-CB 3.45Å; C218-I221 PolarHBondContact O-N 3.13Å; I221-R223 PolarHBondContact O-N 3.06Å; I221-V224 PolarHBondContact O-N 3.48Å; I221-Y226 HydrophobicContact CG2-CE2 4.37Å |
| 222 | V | 54 | Low | 72.4 | Confident | 102 Ų | 102 | 90.9 Ų | 90.9 | 62% | 0.618 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -67 | -5.1 | -177.9 | -168.3 | 0 | 0 | 0 | 0 | 113 | S219 R220 | S219-V222 WeakPolarHBondContact O-CB 3.25Å; S219-V222 PolarHBondContact O-N 3Å; R220-V222 VanDerWaalsContact C-N 3.3Å |
| 223 | R | 50.6 | Low | 72.2 | Confident | 229 Ų | 229 | 94.6 Ų | 94.6 | 86% | 0.864 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -119.9 | 10.9 | 170.4 | -69.1 | -173.6 | 177.1 | 163.5 | 0.2 | 114.6 | I221 E225 | I221-R223 PolarHBondContact O-N 3.06Å; R223-E225 PolarHBondContact O-N 2.98Å |
| 224 | V | 63.2 | Low | 72.2 | Confident | 76 Ų | 76 | 98 Ų | 98 | 46% | 0.461 | 48% | 0.478 | S | S | . | . | trans | -89.1 | 88.5 | 162.7 | -178.6 | 0 | 0 | 0 | 0 | 107.4 | I221 Y226 | I221-V224 PolarHBondContact O-N 3.48Å; V224-Y226 HydrophobicContact CB-CE2 4.41Å; V224-Y226 HydrophobicContact CG1-CD1 4.38Å; V224-Y226 HydrophobicContact CG1-CE1 3.95Å; V224-Y226 HydrophobicContact CG1-CE2 4.35Å; V224-Y226 WeakPolarHBondContact O-CD2 3.27Å; V224-Y226 WeakPolarHBondContact O-CE2 3.39Å; V224-Y226 PolarHBondContact O-N 3.36Å | ||
| 225 | E | 68.9 | Low | 72.3 | Confident | 106 Ų | 106 | 97 Ų | 97 | 50% | 0.495 | 46% | 0.461 | S | S | . | . | trans | -62.8 | 106.2 | 173.5 | -63.8 | 177.2 | 153.1 | 0 | 0 | 109.3 | R223 R227 M234 | R223-E225 PolarHBondContact O-N 2.98Å; E225-R227 VanDerWaalsContact C-N 3.27Å; E225-R227 PolarHBondContact O-N 3.33Å; E225-R227 IonicContact OE2-CZ 3.67Å; E225-R227 IonicContact OE2-NE 2.86Å; E225-R227 IonicContact OE2-NH2 3.56Å; E225-R227 PolarHBondContact OE2-NH2 2.87Å; E225-M234 HydrophobicContact CB-CB 4.33Å; E225-M234 HydrophobicContact CB-CG 4.2Å; E225-M234 HydrophobicContact CB-SD 4.3Å; E225-M234 VanDerWaalsContact CD-SD 3.53Å; E225-M234 HydrophobicContact CG-SD 4.39Å | ||
| 226 | Y | 69.3 | Low | 72.3 | Confident | 66 Ų | 66 | 94.5 Ų | 94.5 | 26% | 0.259 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 83.1 | 179.8 | -66.4 | -80.6 | 0 | 0 | 0 | 109.8 | I221 V224 F235 P238 | I221-Y226 HydrophobicContact CG2-CE2 4.37Å; V224-Y226 HydrophobicContact CB-CE2 4.41Å; V224-Y226 HydrophobicContact CG1-CD1 4.38Å; V224-Y226 HydrophobicContact CG1-CE1 3.95Å; V224-Y226 HydrophobicContact CG1-CE2 4.35Å; V224-Y226 WeakPolarHBondContact O-CD2 3.27Å; V224-Y226 WeakPolarHBondContact O-CE2 3.39Å; V224-Y226 PolarHBondContact O-N 3.36Å; Y226-F235 WeakPolarHBondContact CB-O 3.35Å; Y226-F235 WeakPolarHBondContact CD2-O 3.49Å; Y226-F235 PolarHBondContact N-O 3.5Å; Y226-F235 WeakPolarHBondContact O-CD2 3.18Å; Y226-F235 PolarHBondContact O-N 3.03Å; Y226-P238 HydrophobicContact CD1-CG 4.47Å; Y226-P238 HydrophobicContact CD2-CG 4.23Å; Y226-P238 HydrophobicContact CE1-CG 4.01Å; Y226-P238 HydrophobicContact CE2-CG 3.75Å |
| 227 | R | 78.4 | Confident | 72 | Confident | 149 Ų | 149 | 94.9 Ų | 94.9 | 56% | 0.562 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 135.9 | 173.7 | -71.7 | 172.5 | -169.4 | -137.4 | -0.6 | 109.9 | E225 M234 | E225-R227 VanDerWaalsContact C-N 3.27Å; E225-R227 PolarHBondContact O-N 3.33Å; E225-R227 IonicContact OE2-CZ 3.67Å; E225-R227 IonicContact OE2-NE 2.86Å; E225-R227 IonicContact OE2-NH2 3.56Å; E225-R227 PolarHBondContact OE2-NH2 2.87Å; R227-M234 HydrophobicContact CG-CG 3.5Å; R227-M234 HydrophobicContact CG-SD 4.4Å; R227-M234 PolarHBondContact NH2-SD 3.24Å |
| 228 | C | 84.1 | Confident | 72.4 | Confident | 5 Ų | 5 | 88 Ų | 88 | 3% | 0.034 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 135.9 | 171.6 | -175.5 | 0 | 0 | 0 | 0 | 109.9 | E230 C231 K233 F235 L241 | C228-E230 PolarHBondContact O-N 3.42Å; C228-C231 CarbonylContact C-O 3.55Å; C228-C231 VanDerWaalsContact CB-O 3.27Å; C228-C231 WeakPolarHBondContact CB-O 3.49Å; C228-C231 CarbonylContact O-C 3.56Å; C228-K233 PolarHBondContact N-O 2.88Å; C228-K233 VanDerWaalsContact N-O 3.08Å; C228-F235 HydrophobicContact CB-CE2 4.43Å; C228-L241 HydrophobicContact CB-CD1 3.52Å |
| 229 | P | 79.6 | Confident | 72.4 | Confident | 100 Ų | 100 | 91 Ų | 91 | 65% | 0.649 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -9.3 | 176.8 | 31 | -36.2 | 0 | 0 | 0 | 113 | ||
| 230 | E | 81.1 | Confident | 73.2 | Confident | 81 Ų | 81 | 91.4 Ų | 91.4 | 38% | 0.379 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -10.1 | -174.8 | -64.7 | 149.1 | -110.9 | 0 | 0 | 112 | C228 R245 H248 | C228-E230 PolarHBondContact O-N 3.42Å; E230-R245 IonicContact OE1-CZ 2.77Å; E230-R245 VanDerWaalsContact OE1-CZ 3.23Å; E230-R245 IonicContact OE1-NE 3.7Å; E230-R245 PolarHBondContact OE1-NE 3.1Å; E230-R245 IonicContact OE1-NH2 3.35Å; E230-R245 PolarHBondContact OE1-NH2 3.47Å; E230-H248 HydrophobicContact CB-CB 4.11Å; E230-H248 PolarHBondContact O-NE2 3.23Å; E230-H248 WeakPolarHBondContact OE2-CB 3.49Å; E230-H248 IonicContact OE2-CG 2.79Å |
| 231 | C | 80.9 | Confident | 74.4 | Confident | 26 Ų | 26 | 84.4 Ų | 84.4 | 18% | 0.176 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.2 | 154.8 | 156.8 | 67.9 | 0 | 0 | 0 | 0 | 110.7 | C228 K233 H244 H248 | C228-C231 CarbonylContact C-O 3.55Å; C228-C231 VanDerWaalsContact CB-O 3.27Å; C228-C231 WeakPolarHBondContact CB-O 3.49Å; C228-C231 CarbonylContact O-C 3.56Å; C231-K233 PolarHBondContact O-N 2.86Å; C231-K233 WeakPolarHBondContact SG-CE 3.33Å; C231-K233 VanDerWaalsContact SG-CG 3.57Å; C231-H244 PolarHBondContact SG-NE2 2.86Å; C231-H244 VanDerWaalsContact SG-NE2 3.41Å; C231-H248 WeakPolarHBondContact CB-NE2 3.44Å; C231-H248 PolarHBondContact SG-NE2 2.95Å |
| 232 | D | 78.3 | Confident | 75.3 | Confident | 141 Ų | 141 | 84 Ų | 84 | 75% | 0.754 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 21.6 | -170.7 | -51.2 | -85.3 | 0 | 0 | 0 | 116.7 | M234 | D232-M234 PolarHBondContact O-N 3.26Å |
| 233 | K | 78.7 | Confident | 76.8 | Confident | 119 Ų | 119 | 82.4 Ų | 82.4 | 52% | 0.517 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 127.7 | 175.8 | -62.6 | -177.4 | -154.7 | -48 | 0 | 110.1 | C228 C231 F235 | C228-K233 PolarHBondContact N-O 2.88Å; C228-K233 VanDerWaalsContact N-O 3.08Å; C231-K233 PolarHBondContact O-N 2.86Å; C231-K233 WeakPolarHBondContact SG-CE 3.33Å; C231-K233 VanDerWaalsContact SG-CG 3.57Å; K233-F235 HydrophobicContact CB-CE2 3.61Å; K233-F235 HydrophobicContact CB-CZ 3.84Å; K233-F235 WeakPolarHBondContact O-CD2 3.44Å; K233-F235 WeakPolarHBondContact O-CE2 3.5Å |
| 234 | M | 83.8 | Confident | 78.5 | Confident | 100 Ų | 100 | 72.9 Ų | 72.9 | 49% | 0.493 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 131.9 | -179.7 | -69.5 | 171.5 | -69.7 | 0 | 0 | 110.5 | E225 R227 D232 | E225-M234 HydrophobicContact CB-CB 4.33Å; E225-M234 HydrophobicContact CB-CG 4.2Å; E225-M234 HydrophobicContact CB-SD 4.3Å; E225-M234 VanDerWaalsContact CD-SD 3.53Å; E225-M234 HydrophobicContact CG-SD 4.39Å; R227-M234 HydrophobicContact CG-CG 3.5Å; R227-M234 HydrophobicContact CG-SD 4.4Å; R227-M234 PolarHBondContact NH2-SD 3.24Å; D232-M234 PolarHBondContact O-N 3.26Å |
| 235 | F | 79 | Confident | 79.5 | Confident | 43 Ų | 43 | 75.1 Ų | 75.1 | 19% | 0.189 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 137.6 | 179 | -62.3 | -87.4 | 0 | 0 | 0 | 111.2 | Y226 C228 K233 C237 N240 L241 H244 | Y226-F235 WeakPolarHBondContact CB-O 3.35Å; Y226-F235 WeakPolarHBondContact CD2-O 3.49Å; Y226-F235 PolarHBondContact N-O 3.5Å; Y226-F235 WeakPolarHBondContact O-CD2 3.18Å; Y226-F235 PolarHBondContact O-N 3.03Å; C228-F235 HydrophobicContact CB-CE2 4.43Å; K233-F235 HydrophobicContact CB-CE2 3.61Å; K233-F235 HydrophobicContact CB-CZ 3.84Å; K233-F235 WeakPolarHBondContact O-CD2 3.44Å; K233-F235 WeakPolarHBondContact O-CE2 3.5Å; F235-C237 VanDerWaalsContact C-N 3.28Å; F235-C237 PolarHBondContact O-N 3.36Å; F235-N240 HydrophobicContact CB-CB 4.41Å; F235-N240 HydrophobicContact CD1-CB 3.94Å; F235-N240 HydrophobicContact CG-CB 4.5Å; F235-L241 HydrophobicContact CB-CB 4.24Å; F235-L241 HydrophobicContact CD2-CB 4.2Å; F235-L241 HydrophobicContact CD2-CD1 4Å; F235-L241 HydrophobicContact CE2-CD1 4.34Å; F235-L241 HydrophobicContact CG-CB 4.32Å; F235-H244 HydrophobicContact CE1-CB 4.02Å; F235-H244 HydrophobicContact CE2-CB 4.07Å; F235-H244 AromaticContact CE2-CD2 3.14Å; F235-H244 WeakPolarHBondContact CE2-CD2 3.44Å; F235-H244 AromaticContact CE2-CG 3.69Å; F235-H244 AromaticContact CE2-NE2 3.8Å; F235-H244 HydrophobicContact CZ-CB 3.62Å; F235-H244 AromaticContact CZ-CD2 3.23Å; F235-H244 WeakPolarHBondContact CZ-CD2 3.49Å; F235-H244 AromaticContact CZ-CG 3.3Å; F235-H244 AromaticContact CZ-ND1 3.95Å; F235-H244 AromaticContact CZ-NE2 3.81Å |
| 236 | S | 78.3 | Confident | 80.3 | Confident | 85 Ų | 85 | 79.6 Ų | 79.6 | 59% | 0.594 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -76.1 | -14.2 | 176.4 | -174.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 237 | C | 73.4 | Confident | 80.9 | Confident | 56 Ų | 56 | 86.9 Ų | 86.9 | 38% | 0.378 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -135.5 | 134.3 | -175 | -63 | 0 | 0 | 0 | 0 | 111.7 | F235 A239 N240 L241 | F235-C237 VanDerWaalsContact C-N 3.28Å; F235-C237 PolarHBondContact O-N 3.36Å; C237-A239 VanDerWaalsContact C-N 3.28Å; C237-A239 PolarHBondContact O-N 3.02Å; C237-N240 HydrophobicContact CB-CB 4.34Å; C237-N240 WeakPolarHBondContact O-CB 3.42Å; C237-N240 PolarHBondContact O-N 3.33Å; C237-L241 PolarHBondContact O-N 2.92Å |
| 238 | P | 78.7 | Confident | 81 | Confident | 50 Ų | 50 | 83.4 Ų | 83.4 | 33% | 0.325 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -55.9 | -37.3 | 175.7 | -27.9 | 35.1 | 0 | 0 | 0 | 114.2 | Y226 N240 L241 A242 | Y226-P238 HydrophobicContact CD1-CG 4.47Å; Y226-P238 HydrophobicContact CD2-CG 4.23Å; Y226-P238 HydrophobicContact CE1-CG 4.01Å; Y226-P238 HydrophobicContact CE2-CG 3.75Å; P238-N240 VanDerWaalsContact C-N 3.27Å; P238-N240 PolarHBondContact O-N 3.26Å; P238-L241 PolarHBondContact O-N 2.98Å; P238-A242 WeakPolarHBondContact O-CB 3.27Å; P238-A242 PolarHBondContact O-N 3.17Å |
| 239 | A | 76.2 | Confident | 80.6 | Confident | 65 Ų | 65 | 91.1 Ų | 91.1 | 54% | 0.537 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.4 | -32.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | C237 S243 | C237-A239 VanDerWaalsContact C-N 3.28Å; C237-A239 PolarHBondContact O-N 3.02Å; A239-S243 WeakPolarHBondContact O-CB 3.47Å; A239-S243 PolarHBondContact O-N 3.06Å; A239-S243 PolarHBondContact O-OG 3.41Å |
| 240 | N | 81.5 | Confident | 79.7 | Confident | 88 Ų | 88 | 91.3 Ų | 91.3 | 47% | 0.471 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -74.7 | -41.9 | 177.4 | -65.3 | -0.3 | 0 | 0 | 0 | 110.4 | F235 C237 P238 S243 H244 | F235-N240 HydrophobicContact CB-CB 4.41Å; F235-N240 HydrophobicContact CD1-CB 3.94Å; F235-N240 HydrophobicContact CG-CB 4.5Å; C237-N240 HydrophobicContact CB-CB 4.34Å; C237-N240 WeakPolarHBondContact O-CB 3.42Å; C237-N240 PolarHBondContact O-N 3.33Å; P238-N240 VanDerWaalsContact C-N 3.27Å; P238-N240 PolarHBondContact O-N 3.26Å; N240-S243 PolarHBondContact O-N 3.18Å; N240-H244 VanDerWaalsContact O-CB 3.31Å; N240-H244 WeakPolarHBondContact O-CB 3.45Å; N240-H244 PolarHBondContact O-N 3.08Å |
| 241 | L | 82.9 | Confident | 78 | Confident | 25 Ų | 25 | 98.8 Ų | 98.8 | 13% | 0.131 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -59.7 | -47.2 | 170.8 | 174.5 | 61.7 | 0 | 0 | 0 | 111.3 | C228 F235 C237 P238 S243 H244 R245 | C228-L241 HydrophobicContact CB-CD1 3.52Å; F235-L241 HydrophobicContact CB-CB 4.24Å; F235-L241 HydrophobicContact CD2-CB 4.2Å; F235-L241 HydrophobicContact CD2-CD1 4Å; F235-L241 HydrophobicContact CE2-CD1 4.34Å; F235-L241 HydrophobicContact CG-CB 4.32Å; C237-L241 PolarHBondContact O-N 2.92Å; P238-L241 PolarHBondContact O-N 2.98Å; L241-S243 PolarHBondContact O-N 3.04Å; L241-H244 PolarHBondContact O-N 2.93Å; L241-H244 VanDerWaalsContact O-N 3.11Å; L241-R245 HydrophobicContact CD1-CG 3.9Å; L241-R245 HydrophobicContact CG-CG 4.35Å; L241-R245 WeakPolarHBondContact O-CG 3.29Å; L241-R245 PolarHBondContact O-N 3.29Å |
| 242 | A | 81.5 | Confident | 76.3 | Confident | 52 Ų | 52 | 103.6 Ų | 103.6 | 43% | 0.43 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.6 | -28 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | P238 | P238-A242 WeakPolarHBondContact O-CB 3.27Å; P238-A242 PolarHBondContact O-N 3.17Å |
| 243 | S | 84.4 | Confident | 74.9 | Confident | 68 Ų | 68 | 102.7 Ų | 102.7 | 48% | 0.476 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -77.7 | -41.6 | 171.7 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | A239 N240 L241 R246 | A239-S243 WeakPolarHBondContact O-CB 3.47Å; A239-S243 PolarHBondContact O-N 3.06Å; A239-S243 PolarHBondContact O-OG 3.41Å; N240-S243 PolarHBondContact O-N 3.18Å; L241-S243 PolarHBondContact O-N 3.04Å; S243-R246 WeakPolarHBondContact O-CB 3.43Å; S243-R246 PolarHBondContact O-N 3.03Å |
| 244 | H | 86.4 | Confident | 72.9 | Confident | 29 Ų | 29 | 103 Ų | 103 | 13% | 0.134 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 178.3 | 172.3 | 53.3 | 0 | 0 | 0 | 113 | C231 F235 N240 L241 R246 W247 H248 | C231-H244 PolarHBondContact SG-NE2 2.86Å; C231-H244 VanDerWaalsContact SG-NE2 3.41Å; F235-H244 HydrophobicContact CE1-CB 4.02Å; F235-H244 HydrophobicContact CE2-CB 4.07Å; F235-H244 AromaticContact CE2-CD2 3.14Å; F235-H244 WeakPolarHBondContact CE2-CD2 3.44Å; F235-H244 AromaticContact CE2-CG 3.69Å; F235-H244 AromaticContact CE2-NE2 3.8Å; F235-H244 HydrophobicContact CZ-CB 3.62Å; F235-H244 AromaticContact CZ-CD2 3.23Å; F235-H244 WeakPolarHBondContact CZ-CD2 3.49Å; F235-H244 AromaticContact CZ-CG 3.3Å; F235-H244 AromaticContact CZ-ND1 3.95Å; F235-H244 AromaticContact CZ-NE2 3.81Å; N240-H244 VanDerWaalsContact O-CB 3.31Å; N240-H244 WeakPolarHBondContact O-CB 3.45Å; N240-H244 PolarHBondContact O-N 3.08Å; L241-H244 PolarHBondContact O-N 2.93Å; L241-H244 VanDerWaalsContact O-N 3.11Å; H244-R246 PolarHBondContact O-N 2.88Å; H244-W247 WeakPolarHBondContact O-CB 3.41Å; H244-W247 PolarHBondContact O-N 3.09Å; H244-H248 AromaticContact CE1-CD2 3.98Å; H244-H248 AromaticContact NE2-CD2 3.86Å |
| 245 | R | 84.4 | Confident | 70.9 | Confident | 123 Ų | 123 | 102.3 Ų | 102.3 | 46% | 0.464 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.5 | -23.2 | 176.3 | -69.1 | -175.1 | 76.4 | -167.1 | 2.1 | 113.6 | E230 L241 W247 H248 | E230-R245 IonicContact OE1-CZ 2.77Å; E230-R245 VanDerWaalsContact OE1-CZ 3.23Å; E230-R245 IonicContact OE1-NE 3.7Å; E230-R245 PolarHBondContact OE1-NE 3.1Å; E230-R245 IonicContact OE1-NH2 3.35Å; E230-R245 PolarHBondContact OE1-NH2 3.47Å; L241-R245 HydrophobicContact CD1-CG 3.9Å; L241-R245 HydrophobicContact CG-CG 4.35Å; L241-R245 WeakPolarHBondContact O-CG 3.29Å; L241-R245 PolarHBondContact O-N 3.29Å; R245-W247 VanDerWaalsContact C-N 3.26Å; R245-W247 PolarHBondContact O-N 3.48Å; R245-H248 PolarHBondContact O-N 2.97Å |
| 246 | R | 86.6 | Confident | 68.7 | Low | 200 Ų | 200 | 104.8 Ų | 104.8 | 76% | 0.755 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -19.7 | 173.9 | -58.5 | 175.4 | -174.5 | -133.1 | -2 | 113.2 | S243 H244 | S243-R246 WeakPolarHBondContact O-CB 3.43Å; S243-R246 PolarHBondContact O-N 3.03Å; H244-R246 PolarHBondContact O-N 2.88Å |
| 247 | W | 80.5 | Confident | 67.3 | Low | 220 Ų | 220 | 107.1 Ų | 107.1 | 83% | 0.833 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -26 | 175.8 | -75.9 | 72.4 | 0 | 0 | 0 | 113.2 | H244 R245 K249 | H244-W247 WeakPolarHBondContact O-CB 3.41Å; H244-W247 PolarHBondContact O-N 3.09Å; R245-W247 VanDerWaalsContact C-N 3.26Å; R245-W247 PolarHBondContact O-N 3.48Å; W247-K249 PolarHBondContact O-N 3.31Å |
| 248 | H | 80.4 | Confident | 65.5 | Low | 76 Ų | 76 | 109.2 Ų | 109.2 | 35% | 0.352 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -71.9 | -11.6 | 175.5 | -74.4 | -67 | 0 | 0 | 0 | 113.8 | E230 C231 H244 R245 P250 | E230-H248 HydrophobicContact CB-CB 4.11Å; E230-H248 PolarHBondContact O-NE2 3.23Å; E230-H248 WeakPolarHBondContact OE2-CB 3.49Å; E230-H248 IonicContact OE2-CG 2.79Å; C231-H248 WeakPolarHBondContact CB-NE2 3.44Å; C231-H248 PolarHBondContact SG-NE2 2.95Å; H244-H248 AromaticContact CE1-CD2 3.98Å; H244-H248 AromaticContact NE2-CD2 3.86Å; R245-H248 PolarHBondContact O-N 2.97Å; H248-P250 WeakPolarHBondContact O-CD 3.37Å |
| 249 | K | 76.1 | Confident | 63.2 | Low | 167 Ų | 167 | 111.7 Ų | 111.7 | 73% | 0.726 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -98.4 | 88.7 | 171.3 | -161.5 | 69.4 | 173.2 | -179.8 | 0 | 109.7 | W247 R251 | W247-K249 PolarHBondContact O-N 3.31Å; K249-R251 PolarHBondContact O-N 3.23Å |
| 250 | P | 61.7 | Low | 61.3 | Low | 104 Ų | 104 | 113.1 Ų | 113.1 | 68% | 0.675 | 65% | 0.654 | S | S | * | * | trans | -57.3 | 131.4 | 173.6 | 24.7 | -34.1 | 0 | 0 | 0 | 109.3 | H248 T252 | H248-P250 WeakPolarHBondContact O-CD 3.37Å; P250-T252 PolarHBondContact O-N 3.43Å; P250-T252 VanDerWaalsContact O-N 3.07Å | ||
| 251 | R | 44.3 | Very low | 59.8 | Low | 238 Ų | 238 | 114.6 Ų | 114.6 | 90% | 0.898 | 67% | 0.668 | S | S | * | * | trans | -68.5 | 107.8 | 179.2 | -65.6 | -179.8 | 76.3 | -151.4 | 6.5 | 108.8 | K249 S253 | K249-R251 PolarHBondContact O-N 3.23Å; R251-S253 PolarHBondContact O-N 3.26Å | ||
| 252 | T | 45.3 | Very low | 58.2 | Low | 126 Ų | 126 | 118.7 Ų | 118.7 | 77% | 0.773 | 70% | 0.696 | S | S | * | * | trans | -59.8 | 108.7 | 166.2 | 46.3 | 0 | 0 | 0 | 0 | 108.9 | P250 T254 | P250-T252 PolarHBondContact O-N 3.43Å; P250-T252 VanDerWaalsContact O-N 3.07Å; T252-T254 VanDerWaalsContact C-N 3.29Å; T252-T254 PolarHBondContact O-N 3.1Å | ||
| 253 | S | 48.6 | Very low | 55.9 | Low | 122 Ų | 122 | 120.7 Ų | 120.7 | 85% | 0.853 | 71% | 0.713 | S | S | * | * | trans | -81.7 | 70 | -172.5 | 56.2 | 0 | 0 | 0 | 0 | 112 | R251 | R251-S253 PolarHBondContact O-N 3.26Š| ||
| 254 | T | 36.6 | Very low | 53.5 | Low | 127 Ų | 127 | 126.9 Ų | 126.9 | 78% | 0.779 | 73% | 0.734 | S | S | * | * | trans | -127.5 | 93.6 | 175.4 | 50.5 | 0 | 0 | 0 | 0 | 110.1 | T252 | T252-T254 VanDerWaalsContact C-N 3.29Å; T252-T254 PolarHBondContact O-N 3.1Å | ||
| 255 | G | 42.6 | Very low | 50.9 | Low | 84 Ų | 84 | 129 Ų | 129 | 87% | 0.866 | 76% | 0.763 | S | S | * | * | trans | -118.1 | 100.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 256 | A | 32.8 | Very low | 48.6 | Very low | 95 Ų | 95 | 130.3 Ų | 130.3 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -152.8 | 124.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 257 | P | 48.8 | Very low | 46.1 | Very low | 135 Ų | 135 | 130 Ų | 130 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | -95.4 | 133.7 | 178 | 34.3 | -30.7 | 0 | 0 | 0 | 112 | ||||
| 258 | A | 34.4 | Very low | 44.3 | Very low | 99 Ų | 99 | 124.9 Ų | 124.9 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -154.2 | 142.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 259 | A | 30.1 | Very low | 42 | Very low | 102 Ų | 102 | 127.4 Ų | 127.4 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | 52.2 | 93.6 | 158.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 260 | A | 36.5 | Very low | 40.1 | Very low | 95 Ų | 95 | 127.4 Ų | 127.4 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | -85.5 | 172.7 | 126.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 261 | P | 50.4 | Low | 38.7 | Very low | 119 Ų | 119 | 126 Ų | 126 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | cis | -143.7 | -148.1 | 35.5 | 43.5 | -19.6 | 0 | 0 | 0 | 111.7 | ||||
| 262 | P | 49.9 | Very low | 38.1 | Very low | 111 Ų | 111 | 123.1 Ų | 123.1 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | cis | -138.8 | 170.6 | -7.6 | 40.1 | -21.3 | 0 | 0 | 0 | 119.1 | ||||
| 263 | A | 32.8 | Very low | 37.4 | Very low | 95 Ų | 95 | 124.9 Ų | 124.9 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | 70.3 | 144.5 | 155.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 264 | Q | 35.1 | Very low | 36.9 | Very low | 198 Ų | 198 | 127.7 Ų | 127.7 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | cis | -133.4 | 170.4 | 13.6 | -61.4 | 178 | 26.2 | 0 | 0 | 111.3 | ||||
| 265 | G | 31.2 | Very low | 37.1 | Very low | 72 Ų | 72 | 127.4 Ų | 127.4 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | cis | 173.5 | -33.7 | -7.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 266 | V | 36.8 | Very low | 36.6 | Very low | 151 Ų | 151 | 132.1 Ų | 132.1 | 92% | 0.915 | 80% | 0.801 | S | S | * | * | trans | -92.7 | 151 | -166.6 | -70.2 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 267 | K | 32.8 | Very low | 36.6 | Very low | 195 Ų | 195 | 131.2 Ų | 131.2 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | -124.2 | 176.9 | 173.5 | -45.2 | 178.5 | -177.8 | 175.8 | 0 | 109.6 | ||||
| 268 | P | 43.2 | Very low | 35.8 | Very low | 111 Ų | 111 | 131 Ų | 131 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | -145 | 175.6 | 69 | 37.5 | -16.9 | 0 | 0 | 0 | 116.6 | |||||
| 269 | D | 31.1 | Very low | 35.7 | Very low | 130 Ų | 130 | 135.6 Ų | 135.6 | 70% | 0.695 | 80% | 0.799 | S | S | * | * | trans | 17.6 | 144.6 | 145.9 | -66.5 | -114.8 | 0 | 0 | 0 | 121 | ||||
| 270 | M | 36.3 | Very low | 35.8 | Very low | 166 Ų | 166 | 136.3 Ų | 136.3 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | cis | -162.3 | -176.9 | 13.1 | -135.6 | -169 | -92.4 | 0 | 0 | 109.2 | ||||
| 271 | A | 32.4 | Very low | 35.5 | Very low | 74 Ų | 74 | 138.7 Ų | 138.7 | 61% | 0.612 | 80% | 0.802 | S | S | * | * | cis | -158.4 | 170.6 | 3.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 272 | K | 31.4 | Very low | 34.6 | Very low | 179 Ų | 179 | 137.6 Ų | 137.6 | 78% | 0.778 | 80% | 0.798 | S | S | * | * | 14.7 | 134.4 | 128.9 | -152.9 | 169.5 | 179.6 | -178.2 | 0 | 117.4 | |||||
| 273 | M | 32 | Very low | 33.5 | Very low | 163 Ų | 163 | 139.4 Ų | 139.4 | 80% | 0.803 | 80% | 0.801 | S | S | * | * | cis | -150.3 | -175.9 | 32 | -151.5 | 145.9 | 172.9 | 0 | 0 | 114.3 | ||||
| 274 | Q | 37.3 | Very low | 33.6 | Very low | 180 Ų | 180 | 143.1 Ų | 143.1 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | trans | -96.9 | 160.6 | -168.9 | -65.8 | 168.7 | -9.2 | 0 | 0 | 114.5 | ||||
| 275 | P | 40.3 | Very low | 33.7 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | -89.4 | 150.6 | 172.7 | 36 | -34.4 | 0 | 0 | 0 | 113.7 | ||||
| 276 | L | 32.4 | Very low | 33.8 | Very low | 183 Ų | 183 | 145.4 Ų | 145.4 | 96% | 0.958 | 80% | 0.8 | S | S | * | * | trans | -135 | 141 | 160.8 | -72.1 | 173.5 | 0 | 0 | 0 | 108.1 | ||||
| 277 | G | 32.7 | Very low | 33.4 | Very low | 77 Ų | 77 | 143.9 Ų | 143.9 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | -130 | 146.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 278 | V | 33.5 | Very low | 33.4 | Very low | 129 Ų | 129 | 142 Ų | 142 | 78% | 0.782 | 78% | 0.782 | S | S | * | * | trans | -141.7 | 116 | 178.7 | -175.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 279 | K | 30.7 | Very low | 33 | Very low | 197 Ų | 197 | 141.3 Ų | 141.3 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | trans | 40 | 137.8 | 147.6 | -54.7 | 173.4 | -176.2 | 177.4 | 0 | 121.4 | ||||
| 280 | S | 32.9 | Very low | 33.2 | Very low | 117 Ų | 117 | 141.4 Ų | 141.4 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -66.7 | 157 | 161.4 | -41.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 281 | V | 30 | Very low | 33.3 | Very low | 145 Ų | 145 | 143.8 Ų | 143.8 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | trans | -140 | 156.9 | 149.9 | -76.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 282 | S | 31.3 | Very low | 33.5 | Very low | 96 Ų | 96 | 146.9 Ų | 146.9 | 67% | 0.671 | 79% | 0.787 | S | S | * | * | trans | -77 | 166.1 | 166.1 | 56.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 283 | D | 28.1 | Very low | 34 | Very low | 149 Ų | 149 | 144.2 Ų | 144.2 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | -165.4 | -178.8 | 74.4 | -129.2 | -103.3 | 0 | 0 | 0 | 114.1 | |||||
| 284 | E | 35.1 | Very low | 34.7 | Very low | 173 Ų | 173 | 142 Ų | 142 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | trans | -92.5 | 159.4 | -179.3 | -60.3 | -162.7 | 106.4 | 0 | 0 | 113.4 | ||||
| 285 | T | 36.6 | Very low | 34.6 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | -173.8 | 128.8 | 128.8 | 14.2 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 286 | K | 33.3 | Very low | 34.9 | Very low | 190 Ų | 190 | 139.4 Ų | 139.4 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | 49 | 149.6 | 127.5 | -71 | -170.5 | 178.4 | -171.9 | 0 | 121.6 | |||||
| 287 | D | 28.5 | Very low | 34.8 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | cis | -177.4 | 172.8 | -10.4 | -173.9 | -173.8 | 0 | 0 | 0 | 107.8 | ||||
| 288 | M | 33.2 | Very low | 35.6 | Very low | 154 Ų | 154 | 138.7 Ų | 138.7 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | 67.6 | 135.7 | 174.6 | -42 | -90.9 | 88.5 | 0 | 0 | 115.3 | ||||
| 289 | S | 33.9 | Very low | 36.1 | Very low | 97 Ų | 97 | 138 Ų | 138 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | cis | -153.9 | -164.2 | -19.3 | 59.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 290 | D | 34.9 | Very low | 36.5 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | cis | -163.2 | 175.4 | 14.1 | -139.1 | -65.2 | 0 | 0 | 0 | 111 | ||||
| 291 | R | 38.7 | Very low | 36.7 | Very low | 215 Ų | 215 | 135.4 Ų | 135.4 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | trans | 41.8 | 91.7 | 163.6 | -79.5 | -174.4 | 161.9 | 174.8 | -5.8 | 121.2 | ||||
| 292 | D | 37.2 | Very low | 37.4 | Very low | 140 Ų | 140 | 132.9 Ų | 132.9 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | 29.8 | 145.3 | 101.8 | -58 | -77.8 | 0 | 0 | 0 | 120.1 | |||||
| 293 | T | 41.6 | Very low | 37.9 | Very low | 123 Ų | 123 | 132.9 Ų | 132.9 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | cis | -166.9 | 177.9 | 4.9 | 14.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 294 | P | 46.7 | Very low | 39.1 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | cis | -123.3 | 172 | -34.1 | 35.2 | -19.7 | 0 | 0 | 0 | 112.6 | ||||
| 295 | S | 35.3 | Very low | 40.2 | Very low | 107 Ų | 107 | 131.2 Ų | 131.2 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | -88.2 | 167.6 | 168.4 | -60.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 296 | P | 46.9 | Very low | 41.4 | Very low | 139 Ų | 139 | 127.6 Ų | 127.6 | 90% | 0.903 | 75% | 0.749 | S | S | * | * | -138 | 151 | 88.4 | 38.5 | -27.1 | 0 | 0 | 0 | 113.6 | |||||
| 297 | G | 31 | Very low | 43.7 | Very low | 66 Ų | 66 | 119.8 Ų | 119.8 | 68% | 0.68 | 72% | 0.718 | S | S | * | * | cis | -172.9 | 142.7 | -7.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 298 | L | 47.9 | Very low | 46.5 | Very low | 179 Ų | 179 | 119.1 Ų | 119.1 | 94% | 0.937 | 71% | 0.707 | S | S | * | * | trans | -109.1 | 116.5 | -176 | -71.9 | 176.2 | 0 | 0 | 0 | 111.5 | ||||
| 299 | S | 44.5 | Very low | 49.2 | Very low | 115 Ų | 115 | 116 Ų | 116 | 80% | 0.804 | 69% | 0.694 | S | S | * | * | trans | -170.2 | 140.7 | 164.3 | -105.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 300 | E | 39.5 | Very low | 51.8 | Low | 168 Ų | 168 | 111.3 Ų | 111.3 | 79% | 0.785 | 66% | 0.661 | S | S | * | * | cis | -138.1 | 174.3 | 3.9 | -61.8 | -176.4 | 39.9 | 0 | 0 | 112 | ||||
| 301 | S | 37.5 | Very low | 54.2 | Low | 91 Ų | 91 | 113.4 Ų | 113.4 | 64% | 0.636 | 67% | 0.667 | S | S | * | * | trans | 42.7 | 102.2 | 143.6 | -63.3 | 0 | 0 | 0 | 0 | 118.8 | S303 | S301-S303 PolarHBondContact O-N 3.16Š| ||
| 302 | G | 43.3 | Very low | 56.1 | Low | 91 Ų | 91 | 108.6 Ų | 108.6 | 94% | 0.938 | 65% | 0.652 | S | S | * | * | trans | -69.8 | 69 | 163.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 303 | S | 42.3 | Very low | 58.3 | Low | 96 Ų | 96 | 104.2 Ų | 104.2 | 67% | 0.671 | 63% | 0.632 | S | S | * | * | trans | -61.1 | 146.3 | 169 | -61 | 0 | 0 | 0 | 0 | 111 | S301 D305 | S301-S303 PolarHBondContact O-N 3.16Å; S303-D305 PolarHBondContact O-N 3.2Å | ||
| 304 | E | 52.9 | Low | 60.2 | Low | 204 Ų | 204 | 101 Ų | 101 | 95% | 0.953 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -71.1 | 1.2 | -158.1 | 65.7 | -163.4 | 113.4 | 0 | 0 | 117.7 | ||
| 305 | D | 59.8 | Low | 62.1 | Low | 83 Ų | 83 | 99 Ų | 99 | 44% | 0.444 | 60% | 0.602 | S | S | . | * | trans | -130.7 | 94.5 | 169.3 | -135.5 | -31.3 | 0 | 0 | 0 | 110.3 | S303 S307 K318 | S303-D305 PolarHBondContact O-N 3.2Å; D305-S307 PolarHBondContact O-N 2.04Å; D305-K318 IonicContact OD1-NZ 3.08Å; D305-K318 PolarHBondContact OD1-NZ 3.18Å; D305-K318 IonicContact OD2-NZ 3.48Å; D305-K318 PolarHBondContact OD2-NZ 2.89Å | ||
| 306 | G | 61.7 | Low | 64.5 | Low | 52 Ų | 52 | 102.1 Ų | 102.1 | 54% | 0.536 | 60% | 0.598 | S | S | . | * | trans | -68.3 | 65 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 307 | S | 81.1 | Confident | 66.5 | Low | 26 Ų | 26 | 97.7 Ų | 97.7 | 18% | 0.182 | 56% | 0.564 | C | S | . | * | trans | -105 | 113.8 | -172.8 | 73.7 | 0 | 0 | 0 | 0 | 111.2 | D305 R316 F317 | D305-S307 PolarHBondContact O-N 2.04Å; S307-R316 PolarHBondContact OG-NE 3.41Å; S307-R316 PolarHBondContact OG-NH2 3.48Å; S307-F317 CarbonylContact C-O 3.56Å; S307-F317 WeakPolarHBondContact CA-O 3.41Å | ||
| 308 | Y | 87.3 | Confident | 69.1 | Low | 105 Ų | 105 | 101.8 Ų | 101.8 | 41% | 0.412 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.4 | 117.9 | 177.7 | -55 | -94 | 0 | 0 | 0 | 109.3 | F317 Q320 | Y308-F317 PolarHBondContact N-O 2.58Å; Y308-F317 PolarHBondContact O-N 3.17Å; Y308-Q320 HydrophobicContact CD1-CB 4.08Å; Y308-Q320 HydrophobicContact CD1-CG 4.39Å; Y308-Q320 HydrophobicContact CD2-CB 4.06Å; Y308-Q320 HydrophobicContact CE1-CB 3.91Å; Y308-Q320 HydrophobicContact CE1-CG 4.33Å; Y308-Q320 HydrophobicContact CE2-CB 3.89Å; Y308-Q320 VanDerWaalsContact CE2-N 3.29Å; Y308-Q320 HydrophobicContact CG-CB 4.15Å |
| 309 | D | 88.4 | Confident | 70.9 | Confident | 88 Ų | 88 | 100.5 Ų | 100.5 | 47% | 0.471 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 156.9 | 178.9 | 65 | -74 | 0 | 0 | 0 | 113.1 | K315 R316 L323 | D309-K315 CarbonylContact C-O 3.29Å; D309-K315 WeakPolarHBondContact CA-O 3.48Å; D309-R316 HydrophobicContact CB-CG 4.04Å; D309-L323 WeakPolarHBondContact O-CD2 3.31Å |
| 310 | C | 89.4 | Confident | 73 | Confident | 0 Ų | 0 | 98 Ų | 98 | 0% | 0 | 52% | 0.522 | C | S | . | . | trans | -101.7 | 111.8 | 176 | -170.2 | 0 | 0 | 0 | 0 | 110.9 | F312 C313 G314 K315 F317 L323 | C310-F312 PolarHBondContact O-N 2.85Å; C310-C313 VanDerWaalsContact CB-SG 3.58Å; C310-C313 PolarHBondContact O-N 2.8Å; C310-G314 PolarHBondContact O-N 3.19Å; C310-K315 PolarHBondContact N-O 3.48Å; C310-F317 HydrophobicContact CB-CE2 4.39Å; C310-L323 HydrophobicContact CB-CD1 3.45Å; C310-L323 VanDerWaalsContact CB-CD1 3.45Å | ||
| 311 | Q | 84.4 | Confident | 75.4 | Confident | 177 Ų | 177 | 93 Ų | 93 | 83% | 0.827 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -27.6 | 178.9 | -65.2 | 170.5 | -4.8 | 0 | 0 | 113.7 | ||
| 312 | F | 79.8 | Confident | 77.7 | Confident | 113 Ų | 113 | 94.4 Ų | 94.4 | 50% | 0.496 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -9.3 | 179 | -56.5 | -71.1 | 0 | 0 | 0 | 115 | C310 I327 | C310-F312 PolarHBondContact O-N 2.85Å; F312-I327 HydrophobicContact CE2-CG2 4.22Å |
| 313 | C | 83.9 | Confident | 80 | Confident | 49 Ų | 49 | 90.6 Ų | 90.6 | 33% | 0.331 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -161.8 | 7.2 | -174.8 | 69.9 | 0 | 0 | 0 | 0 | 117 | C310 K315 H326 | C310-C313 VanDerWaalsContact CB-SG 3.58Å; C310-C313 PolarHBondContact O-N 2.8Å; C313-K315 PolarHBondContact O-N 2.99Å; C313-K315 VanDerWaalsContact O-N 3.08Å; C313-K315 VanDerWaalsContact SG-CG 3.57Å; C313-H326 PolarHBondContact SG-NE2 3.42Å |
| 314 | G | 81.7 | Confident | 82.2 | Confident | 55 Ų | 55 | 93.8 Ų | 93.8 | 57% | 0.567 | 46% | 0.456 | S | S | * | . | trans | 68.7 | -1.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | C310 R316 | C310-G314 PolarHBondContact O-N 3.19Å; G314-R316 PolarHBondContact O-N 2.7Å | ||
| 315 | K | 86.4 | Confident | 84 | Confident | 76 Ų | 76 | 91.6 Ų | 91.6 | 33% | 0.33 | 44% | 0.444 | S | S | . | . | trans | -68.9 | 118.6 | -174.8 | -68.2 | 177.2 | -170.6 | 173.6 | 0 | 111.5 | D309 C310 C313 F317 | D309-K315 CarbonylContact C-O 3.29Å; D309-K315 WeakPolarHBondContact CA-O 3.48Å; C310-K315 PolarHBondContact N-O 3.48Å; C313-K315 PolarHBondContact O-N 2.99Å; C313-K315 VanDerWaalsContact O-N 3.08Å; C313-K315 VanDerWaalsContact SG-CG 3.57Å; K315-F317 HydrophobicContact CB-CE2 3.68Å; K315-F317 HydrophobicContact CB-CZ 3.95Å; K315-F317 WeakPolarHBondContact O-CD2 3.42Å; K315-F317 WeakPolarHBondContact O-CE2 3.15Å | ||
| 316 | R | 85.8 | Confident | 85.3 | Confident | 171 Ų | 171 | 89.3 Ų | 89.3 | 65% | 0.645 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 128.6 | 179 | -68.7 | 174.7 | 71.2 | 174.1 | 0.9 | 111.8 | S307 D309 G314 | S307-R316 PolarHBondContact OG-NE 3.41Å; S307-R316 PolarHBondContact OG-NH2 3.48Å; D309-R316 HydrophobicContact CB-CG 4.04Å; G314-R316 PolarHBondContact O-N 2.7Å |
| 317 | F | 87.3 | Confident | 86.5 | Confident | 47 Ų | 47 | 89 Ų | 89 | 21% | 0.206 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 128.9 | -177.1 | -64 | -88.2 | 0 | 0 | 0 | 112.1 | S307 Y308 C310 K315 R319 L323 H326 | S307-F317 CarbonylContact C-O 3.56Å; S307-F317 WeakPolarHBondContact CA-O 3.41Å; Y308-F317 PolarHBondContact N-O 2.58Å; Y308-F317 PolarHBondContact O-N 3.17Å; C310-F317 HydrophobicContact CB-CE2 4.39Å; K315-F317 HydrophobicContact CB-CE2 3.68Å; K315-F317 HydrophobicContact CB-CZ 3.95Å; K315-F317 WeakPolarHBondContact O-CD2 3.42Å; K315-F317 WeakPolarHBondContact O-CE2 3.15Å; F317-R319 PolarHBondContact O-N 3.43Å; F317-L323 HydrophobicContact CB-CB 4.29Å; F317-L323 HydrophobicContact CD2-CB 3.94Å; F317-L323 HydrophobicContact CD2-CD1 3.85Å; F317-L323 HydrophobicContact CD2-CG 4.5Å; F317-L323 HydrophobicContact CE2-CD1 4Å; F317-L323 HydrophobicContact CG-CB 4.3Å; F317-H326 HydrophobicContact CE1-CB 4.31Å; F317-H326 HydrophobicContact CE2-CB 3.93Å; F317-H326 AromaticContact CE2-CD2 3.58Å; F317-H326 AromaticContact CE2-CG 3.95Å; F317-H326 HydrophobicContact CZ-CB 3.59Å; F317-H326 AromaticContact CZ-CD2 3.54Å; F317-H326 AromaticContact CZ-CG 3.55Å |
| 318 | K | 85.8 | Confident | 86.8 | Confident | 151 Ų | 151 | 93.8 Ų | 93.8 | 66% | 0.657 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -69.7 | 4.3 | -179 | -60.3 | -165.9 | 173.5 | -99.1 | 0 | 115.8 | D305 | D305-K318 IonicContact OD1-NZ 3.08Å; D305-K318 PolarHBondContact OD1-NZ 3.18Å; D305-K318 IonicContact OD2-NZ 3.48Å; D305-K318 PolarHBondContact OD2-NZ 2.89Å |
| 319 | R | 86.8 | Confident | 86.7 | Confident | 152 Ų | 152 | 90.9 Ų | 90.9 | 57% | 0.574 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -154 | 138.1 | 172.4 | -56.9 | -174.9 | -178 | 142.7 | -4.6 | 110.9 | F317 A321 Y322 L323 | F317-R319 PolarHBondContact O-N 3.43Å; R319-A321 PolarHBondContact O-N 3.46Å; R319-A321 VanDerWaalsContact O-N 3.12Å; R319-Y322 HydrophobicContact CB-CD2 3.72Å; R319-Y322 HydrophobicContact CB-CE2 3.98Å; R319-Y322 HydrophobicContact CG-CD2 4.18Å; R319-Y322 HydrophobicContact CG-CE2 3.97Å; R319-Y322 PolarHBondContact NH1-OH 3.33Å; R319-Y322 VanDerWaalsContact NH1-OH 3.14Å; R319-Y322 PolarHBondContact O-N 3.15Å; R319-L323 PolarHBondContact O-N 3.36Å |
| 320 | Q | 87 | Confident | 86.5 | Confident | 64 Ų | 64 | 88.7 Ų | 88.7 | 30% | 0.299 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -57 | -29.8 | 178.5 | -174.9 | 60.9 | -55.4 | 0 | 0 | 113.5 | Y308 Y322 L323 R324 | Y308-Q320 HydrophobicContact CD1-CB 4.08Å; Y308-Q320 HydrophobicContact CD1-CG 4.39Å; Y308-Q320 HydrophobicContact CD2-CB 4.06Å; Y308-Q320 HydrophobicContact CE1-CB 3.91Å; Y308-Q320 HydrophobicContact CE1-CG 4.33Å; Y308-Q320 HydrophobicContact CE2-CB 3.89Å; Y308-Q320 VanDerWaalsContact CE2-N 3.29Å; Y308-Q320 HydrophobicContact CG-CB 4.15Å; Q320-Y322 VanDerWaalsContact C-N 3.28Å; Q320-Y322 PolarHBondContact O-N 2.94Å; Q320-L323 PolarHBondContact O-N 2.89Å; Q320-R324 HydrophobicContact CG-CG 4.49Å; Q320-R324 WeakPolarHBondContact O-CG 3.34Å; Q320-R324 PolarHBondContact O-N 3.28Å |
| 321 | A | 89.9 | Confident | 86.2 | Confident | 62 Ų | 62 | 93.6 Ų | 93.6 | 51% | 0.512 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65 | -26.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | R319 K325 | R319-A321 PolarHBondContact O-N 3.46Å; R319-A321 VanDerWaalsContact O-N 3.12Å; A321-K325 WeakPolarHBondContact O-CG 3.31Å |
| 322 | Y | 86.9 | Confident | 85.8 | Confident | 120 Ų | 120 | 87.9 Ų | 87.9 | 47% | 0.471 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -83 | -39.6 | 175 | -59.9 | -56.2 | 0 | 0 | 0 | 111.4 | R319 Q320 K325 H326 | R319-Y322 HydrophobicContact CB-CD2 3.72Å; R319-Y322 HydrophobicContact CB-CE2 3.98Å; R319-Y322 HydrophobicContact CG-CD2 4.18Å; R319-Y322 HydrophobicContact CG-CE2 3.97Å; R319-Y322 PolarHBondContact NH1-OH 3.33Å; R319-Y322 VanDerWaalsContact NH1-OH 3.14Å; R319-Y322 PolarHBondContact O-N 3.15Å; Q320-Y322 VanDerWaalsContact C-N 3.28Å; Q320-Y322 PolarHBondContact O-N 2.94Å; Y322-K325 PolarHBondContact O-N 3.32Å; Y322-H326 PolarHBondContact O-N 3.05Å |
| 323 | L | 92.2 | Very high | 85.5 | Confident | 12 Ų | 12 | 86.2 Ų | 86.2 | 6% | 0.063 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -59.9 | -47 | 173.2 | 175 | 60.5 | 0 | 0 | 0 | 111.5 | D309 C310 F317 R319 Q320 K325 H326 I327 | D309-L323 WeakPolarHBondContact O-CD2 3.31Å; C310-L323 HydrophobicContact CB-CD1 3.45Å; C310-L323 VanDerWaalsContact CB-CD1 3.45Å; F317-L323 HydrophobicContact CB-CB 4.29Å; F317-L323 HydrophobicContact CD2-CB 3.94Å; F317-L323 HydrophobicContact CD2-CD1 3.85Å; F317-L323 HydrophobicContact CD2-CG 4.5Å; F317-L323 HydrophobicContact CE2-CD1 4Å; F317-L323 HydrophobicContact CG-CB 4.3Å; R319-L323 PolarHBondContact O-N 3.36Å; Q320-L323 PolarHBondContact O-N 2.89Å; L323-K325 VanDerWaalsContact C-N 3.34Å; L323-K325 PolarHBondContact O-N 2.83Å; L323-H326 CarbonylContact O-C 3.59Å; L323-H326 WeakPolarHBondContact O-CA 3.45Å; L323-H326 WeakPolarHBondContact O-CB 3.4Å; L323-H326 PolarHBondContact O-N 3.41Å; L323-I327 HydrophobicContact CD1-CD1 3.84Å; L323-I327 HydrophobicContact CD1-CG1 3.89Å; L323-I327 HydrophobicContact CD2-CD1 4.23Å; L323-I327 HydrophobicContact CG-CD1 3.76Å; L323-I327 HydrophobicContact CG-CG1 4.25Å; L323-I327 PolarHBondContact O-N 3.14Å |
| 324 | R | 88.6 | Confident | 84.8 | Confident | 162 Ų | 162 | 89.1 Ų | 89.1 | 61% | 0.611 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -55.5 | -46.4 | 177.2 | -74.5 | 176 | 179.2 | 165.1 | 0.3 | 112.3 | Q320 H326 I327 M328 | Q320-R324 HydrophobicContact CG-CG 4.49Å; Q320-R324 WeakPolarHBondContact O-CG 3.34Å; Q320-R324 PolarHBondContact O-N 3.28Å; R324-H326 VanDerWaalsContact C-N 3.27Å; R324-H326 PolarHBondContact O-N 2.73Å; R324-I327 PolarHBondContact O-N 3.12Å; R324-M328 WeakPolarHBondContact O-CG 2.95Å; R324-M328 PolarHBondContact O-N 2.99Å; R324-M328 VanDerWaalsContact O-N 3.07Å |
| 325 | K | 89.7 | Confident | 84.3 | Confident | 158 Ų | 158 | 92.4 Ų | 92.4 | 69% | 0.687 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -61.4 | -34.2 | 174.4 | -74.2 | -174.2 | 175.7 | -165.9 | 0 | 112.7 | A321 Y322 L323 A329 | A321-K325 WeakPolarHBondContact O-CG 3.31Å; Y322-K325 PolarHBondContact O-N 3.32Å; L323-K325 VanDerWaalsContact C-N 3.34Å; L323-K325 PolarHBondContact O-N 2.83Å; K325-A329 PolarHBondContact O-N 3.44Å |
| 326 | H | 86.8 | Confident | 83.2 | Confident | 35 Ų | 35 | 95 Ų | 95 | 16% | 0.162 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -73.2 | -40.1 | 176.8 | -173.2 | 43 | 0 | 0 | 0 | 113.1 | C313 F317 Y322 L323 R324 M328 A329 H330 | C313-H326 PolarHBondContact SG-NE2 3.42Å; F317-H326 HydrophobicContact CE1-CB 4.31Å; F317-H326 HydrophobicContact CE2-CB 3.93Å; F317-H326 AromaticContact CE2-CD2 3.58Å; F317-H326 AromaticContact CE2-CG 3.95Å; F317-H326 HydrophobicContact CZ-CB 3.59Å; F317-H326 AromaticContact CZ-CD2 3.54Å; F317-H326 AromaticContact CZ-CG 3.55Å; Y322-H326 PolarHBondContact O-N 3.05Å; L323-H326 CarbonylContact O-C 3.59Å; L323-H326 WeakPolarHBondContact O-CA 3.45Å; L323-H326 WeakPolarHBondContact O-CB 3.4Å; L323-H326 PolarHBondContact O-N 3.41Å; R324-H326 VanDerWaalsContact C-N 3.27Å; R324-H326 PolarHBondContact O-N 2.73Å; H326-M328 VanDerWaalsContact C-N 3.34Å; H326-M328 PolarHBondContact O-N 2.77Å; H326-A329 WeakPolarHBondContact O-CB 3.47Å; H326-A329 PolarHBondContact O-N 2.87Å; H326-A329 VanDerWaalsContact O-N 3.13Å; H326-H330 AromaticContact CD2-NE2 3.82Å; H326-H330 AromaticContact CE1-CD2 3.96Å; H326-H330 AromaticContact CE1-NE2 3.44Å; H326-H330 PolarHBondContact CE1-NE2 2.98Å; H326-H330 AromaticContact NE2-CD2 3.79Å; H326-H330 AromaticContact NE2-NE2 3.08Å; H326-H330 PolarHBondContact NE2-NE2 3.38Å; H326-H330 PolarHBondContact O-CD2 3.47Å; H326-H330 PolarHBondContact O-N 3.35Å |
| 327 | I | 87.7 | Confident | 82 | Confident | 46 Ų | 46 | 90.6 Ų | 90.6 | 24% | 0.236 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 175.2 | -67.1 | 169.9 | 0 | 0 | 0 | 110.9 | F312 L323 R324 A329 H330 Q331 | F312-I327 HydrophobicContact CE2-CG2 4.22Å; L323-I327 HydrophobicContact CD1-CD1 3.84Å; L323-I327 HydrophobicContact CD1-CG1 3.89Å; L323-I327 HydrophobicContact CD2-CD1 4.23Å; L323-I327 HydrophobicContact CG-CD1 3.76Å; L323-I327 HydrophobicContact CG-CG1 4.25Å; L323-I327 PolarHBondContact O-N 3.14Å; R324-I327 PolarHBondContact O-N 3.12Å; I327-A329 PolarHBondContact O-N 3.1Å; I327-H330 WeakPolarHBondContact O-CB 3.45Å; I327-H330 PolarHBondContact O-N 2.95Å; I327-H330 VanDerWaalsContact O-N 3.1Å; I327-Q331 PolarHBondContact O-N 2.99Å |
| 328 | M | 87.4 | Confident | 80.6 | Confident | 126 Ų | 126 | 94.7 Ų | 94.7 | 62% | 0.621 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -61.4 | -28.2 | 175 | -68.1 | 179.5 | 79.3 | 0 | 0 | 113 | R324 H326 A332 | R324-M328 WeakPolarHBondContact O-CG 2.95Å; R324-M328 PolarHBondContact O-N 2.99Å; R324-M328 VanDerWaalsContact O-N 3.07Å; H326-M328 VanDerWaalsContact C-N 3.34Å; H326-M328 PolarHBondContact O-N 2.77Å; M328-A332 WeakPolarHBondContact O-CB 3.34Å; M328-A332 PolarHBondContact O-N 3.07Å |
| 329 | A | 85.1 | Confident | 79.3 | Confident | 45 Ų | 45 | 93 Ų | 93 | 37% | 0.372 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -70.5 | -39.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K325 H326 I327 A332 L333 | K325-A329 PolarHBondContact O-N 3.44Å; H326-A329 WeakPolarHBondContact O-CB 3.47Å; H326-A329 PolarHBondContact O-N 2.87Å; H326-A329 VanDerWaalsContact O-N 3.13Å; I327-A329 PolarHBondContact O-N 3.1Å; A329-A332 PolarHBondContact O-N 2.79Å; A329-L333 WeakPolarHBondContact O-CG 3.48Å; A329-L333 PolarHBondContact O-N 3.33Å; A329-L333 VanDerWaalsContact O-N 3.12Å |
| 330 | H | 83.6 | Confident | 77.7 | Confident | 41 Ų | 41 | 93.6 Ų | 93.6 | 19% | 0.19 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 171.8 | -71.6 | -72 | 0 | 0 | 0 | 111.5 | H326 I327 A332 L333 Q334 | H326-H330 AromaticContact CD2-NE2 3.82Å; H326-H330 AromaticContact CE1-CD2 3.96Å; H326-H330 AromaticContact CE1-NE2 3.44Å; H326-H330 PolarHBondContact CE1-NE2 2.98Å; H326-H330 AromaticContact NE2-CD2 3.79Å; H326-H330 AromaticContact NE2-NE2 3.08Å; H326-H330 PolarHBondContact NE2-NE2 3.38Å; H326-H330 PolarHBondContact O-CD2 3.47Å; H326-H330 PolarHBondContact O-N 3.35Å; I327-H330 WeakPolarHBondContact O-CB 3.45Å; I327-H330 PolarHBondContact O-N 2.95Å; I327-H330 VanDerWaalsContact O-N 3.1Å; H330-A332 VanDerWaalsContact C-N 3.33Å; H330-A332 PolarHBondContact O-N 2.79Å; H330-L333 PolarHBondContact O-N 3.33Å; H330-L333 VanDerWaalsContact O-N 3.14Å; H330-Q334 WeakPolarHBondContact O-CG 3.39Å; H330-Q334 PolarHBondContact O-N 3.43Å |
| 331 | Q | 83.2 | Confident | 76.1 | Confident | 104 Ų | 104 | 98 Ų | 98 | 49% | 0.486 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62 | -39 | 177.2 | -69 | 173.2 | -27.3 | 0 | 0 | 112.3 | I327 L333 Q334 K335 | I327-Q331 PolarHBondContact O-N 2.99Å; Q331-L333 VanDerWaalsContact C-N 3.3Å; Q331-L333 PolarHBondContact O-N 3.4Å; Q331-Q334 PolarHBondContact O-N 2.99Å; Q331-K335 PolarHBondContact O-N 3.02Å |
| 332 | A | 76.8 | Confident | 74.1 | Confident | 56 Ų | 56 | 97.9 Ų | 97.9 | 46% | 0.463 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.5 | -29.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | M328 A329 H330 K336 | M328-A332 WeakPolarHBondContact O-CB 3.34Å; M328-A332 PolarHBondContact O-N 3.07Å; A329-A332 PolarHBondContact O-N 2.79Å; H330-A332 VanDerWaalsContact C-N 3.33Å; H330-A332 PolarHBondContact O-N 2.79Å; A332-K336 WeakPolarHBondContact O-CG 3.49Å |
| 333 | L | 73.6 | Confident | 71.9 | Confident | 79 Ų | 79 | 101.3 Ų | 101.3 | 41% | 0.414 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -78 | -44.1 | 173.2 | -67.9 | 169.8 | 0 | 0 | 0 | 111.5 | A329 H330 Q331 K335 K336 V337 S386 | A329-L333 WeakPolarHBondContact O-CG 3.48Å; A329-L333 PolarHBondContact O-N 3.33Å; A329-L333 VanDerWaalsContact O-N 3.12Å; H330-L333 PolarHBondContact O-N 3.33Å; H330-L333 VanDerWaalsContact O-N 3.14Å; Q331-L333 VanDerWaalsContact C-N 3.3Å; Q331-L333 PolarHBondContact O-N 3.4Å; L333-K335 VanDerWaalsContact C-N 3.3Å; L333-K335 PolarHBondContact O-N 3.08Å; L333-K336 PolarHBondContact O-N 3.36Å; L333-K336 VanDerWaalsContact O-N 3.15Å; L333-V337 WeakPolarHBondContact O-CG2 3.27Å; L333-V337 PolarHBondContact O-N 2.86Å; L333-S386 WeakPolarHBondContact CD1-OG 3.34Å |
| 334 | Q | 68.4 | Low | 69.8 | Low | 109 Ų | 109 | 109.6 Ų | 109.6 | 51% | 0.509 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -56.7 | -42.2 | 174.3 | -75.1 | 175.2 | -21.5 | 0 | 0 | 112 | H330 Q331 K336 V337 L338 | H330-Q334 WeakPolarHBondContact O-CG 3.39Å; H330-Q334 PolarHBondContact O-N 3.43Å; Q331-Q334 PolarHBondContact O-N 2.99Å; Q334-K336 PolarHBondContact O-N 3.13Å; Q334-V337 PolarHBondContact O-N 3.48Å; Q334-L338 PolarHBondContact O-N 2.81Å |
| 335 | K | 70.4 | Confident | 67.3 | Low | 125 Ų | 125 | 108.6 Ų | 108.6 | 54% | 0.543 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63 | -39.5 | 176.9 | -169.8 | 170.9 | -171.6 | -81.1 | 0 | 112.6 | Q331 L333 L338 E339 | Q331-K335 PolarHBondContact O-N 3.02Å; L333-K335 VanDerWaalsContact C-N 3.3Å; L333-K335 PolarHBondContact O-N 3.08Å; K335-L338 PolarHBondContact O-N 2.98Å; K335-E339 IonicContact NZ-OE1 2.79Å; K335-E339 PolarHBondContact NZ-OE1 3.36Å; K335-E339 WeakPolarHBondContact O-CG 2.94Å; K335-E339 PolarHBondContact O-N 3.05Å |
| 336 | K | 63.1 | Low | 64.9 | Low | 129 Ų | 129 | 106 Ų | 106 | 56% | 0.561 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.5 | -41.9 | 175.7 | -73.7 | -177.5 | 174.8 | -165.8 | 0 | 112.6 | A332 L333 Q334 L338 E339 E340 | A332-K336 WeakPolarHBondContact O-CG 3.49Å; L333-K336 PolarHBondContact O-N 3.36Å; L333-K336 VanDerWaalsContact O-N 3.15Å; Q334-K336 PolarHBondContact O-N 3.13Å; K336-L338 VanDerWaalsContact C-N 3.28Å; K336-L338 PolarHBondContact O-N 3.4Å; K336-E339 PolarHBondContact O-N 3.24Å; K336-E340 PolarHBondContact O-N 3.33Å |
| 337 | V | 60.8 | Low | 62.4 | Low | 80 Ų | 80 | 111.8 Ų | 111.8 | 49% | 0.485 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62.4 | -38.2 | 175.3 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | L333 Q334 H341 | L333-V337 WeakPolarHBondContact O-CG2 3.27Å; L333-V337 PolarHBondContact O-N 2.86Å; Q334-V337 PolarHBondContact O-N 3.48Å; V337-H341 PolarHBondContact O-CD2 3.08Å; V337-H341 VanDerWaalsContact O-CD2 3.23Å; V337-H341 PolarHBondContact O-N 2.97Å; V337-H341 VanDerWaalsContact O-N 3.1Å |
| 338 | L | 59 | Low | 60.1 | Low | 133 Ų | 133 | 121.7 Ų | 121.7 | 70% | 0.696 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -66.6 | -38.4 | 173.9 | -169.2 | 70.2 | 0 | 0 | 0 | 112.5 | Q334 K335 K336 G342 | Q334-L338 PolarHBondContact O-N 2.81Å; K335-L338 PolarHBondContact O-N 2.98Å; K336-L338 VanDerWaalsContact C-N 3.28Å; K336-L338 PolarHBondContact O-N 3.4Å; L338-G342 PolarHBondContact O-N 3.32Å |
| 339 | E | 57.7 | Low | 57.6 | Low | 115 Ų | 115 | 120 Ų | 120 | 54% | 0.537 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -69.9 | -37 | 177.1 | -74 | 170.3 | 161.4 | 0 | 0 | 112.5 | K335 K336 G342 | K335-E339 IonicContact NZ-OE1 2.79Å; K335-E339 PolarHBondContact NZ-OE1 3.36Å; K335-E339 WeakPolarHBondContact O-CG 2.94Å; K335-E339 PolarHBondContact O-N 3.05Å; K336-E339 PolarHBondContact O-N 3.24Å; E339-G342 PolarHBondContact O-N 3.45Å |
| 340 | E | 53.2 | Low | 55.1 | Low | 165 Ų | 165 | 122.4 Ų | 122.4 | 77% | 0.771 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -75.7 | -28 | 177.2 | -72.5 | -178.1 | 179.2 | 0 | 0 | 113.3 | K336 G342 | K336-E340 PolarHBondContact O-N 3.33Å; E340-G342 VanDerWaalsContact C-N 3.35Å |
| 341 | H | 54.8 | Low | 52.6 | Low | 156 Ų | 156 | 124.9 Ų | 124.9 | 72% | 0.722 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -1.3 | 172.2 | -74.8 | -62.7 | 0 | 0 | 0 | 114.3 | V337 F343 | V337-H341 PolarHBondContact O-CD2 3.08Å; V337-H341 VanDerWaalsContact O-CD2 3.23Å; V337-H341 PolarHBondContact O-N 2.97Å; V337-H341 VanDerWaalsContact O-N 3.1Å; H341-F343 VanDerWaalsContact C-N 3.29Å; H341-F343 PolarHBondContact O-N 3.09Å |
| 342 | G | 46 | Very low | 50 | Low | 60 Ų | 60 | 127.4 Ų | 127.4 | 62% | 0.619 | 69% | 0.688 | S | S | * | * | trans | -75.9 | 0 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | L338 E339 E340 | L338-G342 PolarHBondContact O-N 3.32Å; E339-G342 PolarHBondContact O-N 3.45Å; E340-G342 VanDerWaalsContact C-N 3.35Å | ||
| 343 | F | 42 | Very low | 48 | Very low | 191 Ų | 191 | 132.7 Ų | 132.7 | 84% | 0.838 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -120.3 | 62.2 | -171.7 | -157.6 | -94.4 | 0 | 0 | 0 | 113.8 | H341 | H341-F343 VanDerWaalsContact C-N 3.29Å; H341-F343 PolarHBondContact O-N 3.09Å |
| 344 | Q | 48.5 | Very low | 46 | Very low | 186 Ų | 186 | 133.3 Ų | 133.3 | 87% | 0.869 | 72% | 0.72 | S | S | * | * | trans | -165.9 | 67 | 158.4 | -117.8 | 162.3 | 111.7 | 0 | 0 | 114.8 | ||||
| 345 | T | 36.4 | Very low | 45.2 | Very low | 142 Ų | 142 | 133.6 Ų | 133.6 | 87% | 0.871 | 73% | 0.731 | S | S | * | * | trans | -138.5 | 81.1 | 158.9 | 55 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 346 | S | 37.3 | Very low | 43.2 | Very low | 102 Ų | 102 | 134.3 Ų | 134.3 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | trans | -83 | 126.9 | 171 | 53.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 347 | D | 35.8 | Very low | 41.5 | Very low | 157 Ų | 157 | 133.3 Ų | 133.3 | 84% | 0.84 | 76% | 0.755 | S | S | * | * | trans | 49.9 | 92.9 | 149.4 | -55.9 | -65.8 | 0 | 0 | 0 | 119.2 | ||||
| 348 | R | 39.5 | Very low | 40.1 | Very low | 254 Ų | 254 | 134 Ų | 134 | 96% | 0.958 | 77% | 0.769 | S | S | * | * | trans | -138.3 | 138.2 | 132 | -153.8 | 171.5 | -176.6 | 91.9 | 0.1 | 111 | ||||
| 349 | A | 34.3 | Very low | 39.2 | Very low | 91 Ų | 91 | 133.3 Ų | 133.3 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | -96 | 150.9 | -154.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 350 | A | 32.2 | Very low | 37.7 | Very low | 95 Ų | 95 | 133 Ų | 133 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | 71.1 | 158.2 | 138.7 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 351 | A | 30.7 | Very low | 36.5 | Very low | 94 Ų | 94 | 129.5 Ų | 129.5 | 78% | 0.777 | 78% | 0.777 | S | S | * | * | trans | 65.8 | 145 | 171.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 352 | E | 30.2 | Very low | 35.4 | Very low | 156 Ų | 156 | 130 Ų | 130 | 73% | 0.729 | 78% | 0.779 | S | S | * | * | cis | -160.5 | 162.4 | -32.9 | -143.1 | -164.8 | 118.7 | 0 | 0 | 108.4 | ||||
| 353 | Q | 33.1 | Very low | 34.6 | Very low | 168 Ų | 168 | 135.2 Ų | 135.2 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | 62.6 | 154.7 | 162 | -61.9 | 172.4 | 26.4 | 0 | 0 | 119.3 | ||||
| 354 | A | 32.2 | Very low | 34.3 | Very low | 91 Ų | 91 | 130.2 Ų | 130.2 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | trans | -140.5 | -176 | 166.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 355 | P | 51 | Low | 33.4 | Very low | 116 Ų | 116 | 126.9 Ų | 126.9 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | cis | -122.4 | 165.8 | -28.1 | 37.9 | -25.7 | 0 | 0 | 0 | 111.7 | ||||
| 356 | V | 28.8 | Very low | 33.5 | Very low | 140 Ų | 140 | 127.7 Ų | 127.7 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | trans | -155.8 | 140.1 | 155.2 | -108 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 357 | S | 28.1 | Very low | 33.5 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | 32.3 | 128 | 141.4 | -50.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 358 | A | 31.9 | Very low | 33.6 | Very low | 94 Ų | 94 | 129.2 Ų | 129.2 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | trans | -65.8 | 162.7 | 151.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 359 | P | 40.2 | Very low | 33.9 | Very low | 118 Ų | 118 | 123.3 Ų | 123.3 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | -133.2 | 177.3 | 105 | 39.3 | -32.3 | 0 | 0 | 0 | 114.4 | |||||
| 360 | S | 26.3 | Very low | 34.2 | Very low | 108 Ų | 108 | 126.4 Ų | 126.4 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | -56.7 | 169.1 | 160.7 | 55.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 361 | S | 27.1 | Very low | 34.7 | Very low | 93 Ų | 93 | 129.8 Ų | 129.8 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | cis | -173.4 | 156.7 | 38.7 | 58.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 362 | E | 32 | Very low | 35.3 | Very low | 166 Ų | 166 | 133.3 Ų | 133.3 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | 59 | 172.5 | 159.2 | -44.2 | -47.5 | 76 | 0 | 0 | 121.7 | ||||
| 363 | E | 29.4 | Very low | 35.9 | Very low | 170 Ų | 170 | 130.3 Ų | 130.3 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | 69.1 | 82.2 | 162.5 | -58.8 | -56.9 | 81 | 0 | 0 | 121.6 | ||||
| 364 | A | 35.6 | Very low | 36.6 | Very low | 85 Ų | 85 | 127.9 Ų | 127.9 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | 38.6 | 113.5 | 121.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 365 | S | 29.2 | Very low | 37.6 | Very low | 117 Ų | 117 | 128.4 Ų | 128.4 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -158.8 | 150.4 | 132.2 | -91.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 366 | N | 38.3 | Very low | 37.7 | Very low | 158 Ų | 158 | 129.3 Ų | 129.3 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | trans | -65.2 | 137.4 | 172.5 | -70 | -80.5 | 0 | 0 | 0 | 110.9 | ||||
| 367 | Q | 38.7 | Very low | 39.3 | Very low | 187 Ų | 187 | 125.6 Ų | 125.6 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | trans | -157 | 117.5 | 154.8 | -116.3 | 150.9 | 103.3 | 0 | 0 | 111.5 | ||||
| 368 | S | 37.2 | Very low | 41.5 | Very low | 104 Ų | 104 | 123.3 Ų | 123.3 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 136.9 | 178.3 | -49.1 | 0 | 0 | 0 | 0 | 110.8 | L370 | S368-L370 PolarHBondContact O-N 3.44Š|
| 369 | P | 46.4 | Very low | 43.6 | Very low | 130 Ų | 130 | 122.3 Ų | 122.3 | 84% | 0.844 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 128.7 | 162.2 | 27.5 | -32.1 | 0 | 0 | 0 | 108.8 | ||
| 370 | L | 39.5 | Very low | 45.3 | Very low | 157 Ų | 157 | 116.8 Ų | 116.8 | 82% | 0.822 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 152 | -164.7 | -66.2 | 166.8 | 0 | 0 | 0 | 113.7 | S368 L372 | S368-L370 PolarHBondContact O-N 3.44Å; L370-L372 PolarHBondContact O-N 3.08Å |
| 371 | N | 43.1 | Very low | 47.4 | Very low | 165 Ų | 165 | 116.3 Ų | 116.3 | 88% | 0.882 | 67% | 0.671 | S | S | * | * | trans | -62.1 | 103.2 | 165.2 | -101.8 | -99.1 | 0 | 0 | 0 | 109.8 | ||||
| 372 | L | 43.5 | Very low | 49.1 | Very low | 169 Ų | 169 | 116.9 Ų | 116.9 | 89% | 0.885 | 67% | 0.665 | S | S | * | * | trans | -91.2 | 110.9 | 153.2 | -77.3 | 157 | 0 | 0 | 0 | 106.4 | L370 | L370-L372 PolarHBondContact O-N 3.08Š| ||
| 373 | S | 43.3 | Very low | 50.8 | Low | 92 Ų | 92 | 111.5 Ų | 111.5 | 64% | 0.643 | 65% | 0.645 | S | S | * | * | trans | -60.8 | 154.8 | 179 | 50.4 | 0 | 0 | 0 | 0 | 110.8 | V375 | S373-V375 PolarHBondContact O-N 3.05Š| ||
| 374 | P | 47.5 | Very low | 52.6 | Low | 117 Ų | 117 | 105.5 Ų | 105.5 | 76% | 0.76 | 63% | 0.629 | S | S | * | * | trans | -59.1 | 106.4 | 174.4 | -22.6 | 34 | 0 | 0 | 0 | 110.2 | D376 | P374-D376 PolarHBondContact O-N 2.75Š| ||
| 375 | V | 51.8 | Low | 54.1 | Low | 103 Ų | 103 | 106 Ų | 106 | 62% | 0.624 | 62% | 0.617 | S | S | * | * | trans | -60 | 117.8 | 158.3 | 175.7 | 0 | 0 | 0 | 0 | 105.5 | S373 C377 | S373-V375 PolarHBondContact O-N 3.05Å; V375-C377 PolarHBondContact O-N 2.95Å; V375-C377 PolarHBondContact O-SG 3.02Å | ||
| 376 | D | 54.6 | Low | 55.9 | Low | 134 Ų | 134 | 102.6 Ų | 102.6 | 72% | 0.717 | 59% | 0.593 | S | S | * | * | trans | -65.7 | 80.3 | -176.2 | -87.3 | -48.8 | 0 | 0 | 0 | 110.9 | P374 L378 | P374-D376 PolarHBondContact O-N 2.75Å; D376-L378 PolarHBondContact O-N 3.32Å | ||
| 377 | C | 62.2 | Low | 57.7 | Low | 62 Ų | 62 | 96.9 Ų | 96.9 | 42% | 0.419 | 56% | 0.56 | S | S | . | * | trans | -70.1 | 92.5 | 179.1 | -78.6 | 0 | 0 | 0 | 0 | 109.2 | V375 L379 | V375-C377 PolarHBondContact O-N 2.95Å; V375-C377 PolarHBondContact O-SG 3.02Å; C377-L379 PolarHBondContact O-N 2.97Å | ||
| 378 | L | 73.6 | Confident | 59.6 | Low | 60 Ų | 60 | 94.1 Ų | 94.1 | 31% | 0.314 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -70.1 | 102.3 | -175.2 | -68.7 | 174.7 | 0 | 0 | 0 | 110.3 | D376 F387 R390 | D376-L378 PolarHBondContact O-N 3.32Å; L378-F387 PolarHBondContact N-O 3.06Å; L378-F387 PolarHBondContact O-N 2.88Å; L378-F387 VanDerWaalsContact O-N 3.09Å; L378-R390 HydrophobicContact CD1-CB 3.47Å; L378-R390 VanDerWaalsContact CD1-CB 3.47Å; L378-R390 HydrophobicContact CD1-CG 3.96Å |
| 379 | L | 76 | Confident | 61.4 | Low | 73 Ų | 73 | 92 Ų | 92 | 38% | 0.382 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 124.5 | -176.6 | -67.4 | 165 | 0 | 0 | 0 | 111 | C377 T381 G384 E385 Q393 | C377-L379 PolarHBondContact O-N 2.97Å; L379-T381 PolarHBondContact O-N 3.07Å; L379-G384 WeakPolarHBondContact CD2-O 3.23Å; L379-E385 CarbonylContact C-O 3.57Å; L379-E385 WeakPolarHBondContact CA-O 3.37Å; L379-Q393 VanDerWaalsContact C-NE2 3.35Å; L379-Q393 PolarHBondContact O-NE2 3Å |
| 380 | C | 75.5 | Confident | 62.8 | Low | 3 Ų | 3 | 93.5 Ų | 93.5 | 2% | 0.02 | 53% | 0.531 | C | S | . | . | trans | -52.1 | 118.2 | 164.2 | 162.4 | 0 | 0 | 0 | 0 | 110.2 | M382 C383 G384 E385 F387 | C380-M382 PolarHBondContact O-N 3.28Å; C380-C383 HydrophobicContact CB-CB 4.4Å; C380-C383 WeakPolarHBondContact CB-SG 3.04Å; C380-C383 WeakPolarHBondContact SG-CB 3.44Å; C380-C383 PolarHBondContact SG-N 3.4Å; C380-C383 CovalentContact SG-SG 2.04Å; C380-C383 PolarHBondContact SG-SG 3.27Å; C380-G384 VanDerWaalsContact O-CA 3.31Å; C380-G384 WeakPolarHBondContact O-CA 3.19Å; C380-G384 PolarHBondContact O-N 2.88Å; C380-E385 HydrophobicContact CB-CB 4.19Å; C380-E385 WeakPolarHBondContact CB-O 3.37Å; C380-E385 PolarHBondContact N-O 3.29Å; C380-F387 HydrophobicContact CB-CE2 3.96Å | ||
| 381 | T | 70.8 | Confident | 64.4 | Low | 97 Ų | 97 | 88.4 Ų | 88.4 | 60% | 0.595 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -20.6 | -172.3 | 49.1 | 0 | 0 | 0 | 0 | 114.3 | L379 | L379-T381 PolarHBondContact O-N 3.07Š|
| 382 | M | 63.7 | Low | 66 | Low | 106 Ų | 106 | 81.5 Ų | 81.5 | 52% | 0.522 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | -26.9 | -176.1 | -53.6 | -48 | -56.5 | 0 | 0 | 113.7 | C380 | C380-M382 PolarHBondContact O-N 3.28Š|
| 383 | C | 67.8 | Low | 67.9 | Low | 52 Ų | 52 | 74.7 Ų | 74.7 | 35% | 0.351 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | -18.6 | -173.4 | 69.7 | 0 | 0 | 0 | 0 | 114.1 | C380 E385 H396 | C380-C383 HydrophobicContact CB-CB 4.4Å; C380-C383 WeakPolarHBondContact CB-SG 3.04Å; C380-C383 WeakPolarHBondContact SG-CB 3.44Å; C380-C383 PolarHBondContact SG-N 3.4Å; C380-C383 CovalentContact SG-SG 2.04Å; C380-C383 PolarHBondContact SG-SG 3.27Å; C383-E385 VanDerWaalsContact C-N 3.28Å; C383-E385 PolarHBondContact O-N 2.85Å; C383-H396 VanDerWaalsContact SG-CE1 3.56Å; C383-H396 PolarHBondContact SG-NE2 3.26Å |
| 384 | G | 66.1 | Low | 69.3 | Low | 45 Ų | 45 | 73 Ų | 73 | 46% | 0.464 | 43% | 0.425 | S | S | . | . | trans | 78.6 | 0.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | L379 C380 S386 | L379-G384 WeakPolarHBondContact CD2-O 3.23Å; C380-G384 VanDerWaalsContact O-CA 3.31Å; C380-G384 WeakPolarHBondContact O-CA 3.19Å; C380-G384 PolarHBondContact O-N 2.88Å; G384-S386 PolarHBondContact O-N 3.11Å | ||
| 385 | E | 68.3 | Low | 70.7 | Confident | 96 Ų | 96 | 74.6 Ų | 74.6 | 45% | 0.449 | 42% | 0.416 | S | S | . | . | trans | -60.2 | 130.9 | 173.9 | -70.6 | 176.1 | -152.6 | 0 | 0 | 111.2 | L379 C380 C383 F387 H396 | L379-E385 CarbonylContact C-O 3.57Å; L379-E385 WeakPolarHBondContact CA-O 3.37Å; C380-E385 HydrophobicContact CB-CB 4.19Å; C380-E385 WeakPolarHBondContact CB-O 3.37Å; C380-E385 PolarHBondContact N-O 3.29Å; C383-E385 VanDerWaalsContact C-N 3.28Å; C383-E385 PolarHBondContact O-N 2.85Å; E385-F387 HydrophobicContact CB-CE2 3.59Å; E385-F387 HydrophobicContact CB-CZ 3.88Å; E385-F387 WeakPolarHBondContact O-CD2 3.46Å; E385-F387 WeakPolarHBondContact O-CE2 3.38Å; E385-F387 WeakPolarHBondContact OE2-CZ 3.14Å; E385-H396 VanDerWaalsContact CD-CE1 3.42Å; E385-H396 IonicContact OE1-CE1 3.66Å; E385-H396 PolarHBondContact OE1-CE1 2.97Å; E385-H396 IonicContact OE2-CE1 3.85Å; E385-H396 PolarHBondContact OE2-CE1 2.79Å; E385-H396 IonicContact OE2-ND1 3.11Å; E385-H396 PolarHBondContact OE2-ND1 3.36Å | ||
| 386 | S | 66.9 | Low | 72 | Confident | 44 Ų | 44 | 70.7 Ų | 70.7 | 31% | 0.308 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 123.3 | 179.3 | 49.8 | 0 | 0 | 0 | 0 | 111.3 | L333 G384 | L333-S386 WeakPolarHBondContact CD1-OG 3.34Å; G384-S386 PolarHBondContact O-N 3.11Å |
| 387 | F | 75.9 | Confident | 73 | Confident | 38 Ų | 38 | 65.6 Ų | 65.6 | 17% | 0.167 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 136.4 | 177.1 | -64.4 | -88.7 | 0 | 0 | 0 | 111.5 | L378 C380 E385 S389 Q393 H396 | L378-F387 PolarHBondContact N-O 3.06Å; L378-F387 PolarHBondContact O-N 2.88Å; L378-F387 VanDerWaalsContact O-N 3.09Å; C380-F387 HydrophobicContact CB-CE2 3.96Å; E385-F387 HydrophobicContact CB-CE2 3.59Å; E385-F387 HydrophobicContact CB-CZ 3.88Å; E385-F387 WeakPolarHBondContact O-CD2 3.46Å; E385-F387 WeakPolarHBondContact O-CE2 3.38Å; E385-F387 WeakPolarHBondContact OE2-CZ 3.14Å; F387-S389 PolarHBondContact O-N 2.86Å; F387-Q393 HydrophobicContact CB-CB 3.9Å; F387-Q393 HydrophobicContact CD2-CB 3.79Å; F387-Q393 HydrophobicContact CD2-CG 3.88Å; F387-Q393 HydrophobicContact CG-CB 3.86Å; F387-Q393 HydrophobicContact CG-CG 4.45Å; F387-H396 HydrophobicContact CE1-CB 3.74Å; F387-H396 HydrophobicContact CE2-CB 4.11Å; F387-H396 AromaticContact CE2-CG 4Å; F387-H396 HydrophobicContact CZ-CB 3.4Å; F387-H396 AromaticContact CZ-CG 3.41Å; F387-H396 VanDerWaalsContact CZ-CG 3.41Å; F387-H396 AromaticContact CZ-ND1 3.54Å |
| 388 | T | 77.5 | Confident | 73.5 | Confident | 129 Ų | 129 | 69 Ų | 69 | 79% | 0.791 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -72.8 | -5.5 | 172.4 | 50.6 | 0 | 0 | 0 | 0 | 113.4 | ||
| 389 | S | 76.4 | Confident | 73.4 | Confident | 61 Ų | 61 | 72.2 Ų | 72.2 | 43% | 0.427 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -152.2 | 139.5 | 178.7 | 175.9 | 0 | 0 | 0 | 0 | 111.7 | F387 A391 G392 Q393 | F387-S389 PolarHBondContact O-N 2.86Å; S389-A391 VanDerWaalsContact C-N 3.27Å; S389-A391 PolarHBondContact O-N 3.24Å; S389-A391 PolarHBondContact OG-N 3.3Å; S389-G392 WeakPolarHBondContact O-CA 3.43Å; S389-G392 PolarHBondContact O-N 3.04Å; S389-Q393 PolarHBondContact O-N 2.93Å |
| 390 | R | 74.6 | Confident | 72.9 | Confident | 160 Ų | 160 | 74.7 Ų | 74.7 | 60% | 0.604 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -57.1 | -39.5 | 175.7 | -169.8 | 177.8 | 176.1 | 125.7 | 3.1 | 112.5 | L378 G392 Q393 E394 | L378-R390 HydrophobicContact CD1-CB 3.47Å; L378-R390 VanDerWaalsContact CD1-CB 3.47Å; L378-R390 HydrophobicContact CD1-CG 3.96Å; R390-G392 PolarHBondContact O-N 3.25Å; R390-Q393 WeakPolarHBondContact O-CB 3.48Å; R390-Q393 PolarHBondContact O-N 2.97Å; R390-E394 HydrophobicContact CG-CG 4.33Å; R390-E394 IonicContact CZ-OE1 3.52Å; R390-E394 IonicContact NE-OE1 3.23Å; R390-E394 PolarHBondContact NE-OE1 3.18Å; R390-E394 IonicContact NH2-OE1 3.82Å; R390-E394 WeakPolarHBondContact O-CG 3.42Å; R390-E394 PolarHBondContact O-N 3.47Å |
| 391 | A | 73.3 | Confident | 72.6 | Confident | 51 Ų | 51 | 76.5 Ų | 76.5 | 42% | 0.421 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.4 | -30.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S389 R395 | S389-A391 VanDerWaalsContact C-N 3.27Å; S389-A391 PolarHBondContact O-N 3.24Å; S389-A391 PolarHBondContact OG-N 3.3Å; A391-R395 VanDerWaalsContact O-CB 3.24Å; A391-R395 WeakPolarHBondContact O-CB 3.47Å; A391-R395 PolarHBondContact O-N 3.14Å; A391-R395 VanDerWaalsContact O-N 3.1Å |
| 392 | G | 76.7 | Confident | 72.2 | Confident | 20 Ų | 20 | 75.9 Ų | 75.9 | 21% | 0.206 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -68 | -50.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S389 R390 E394 R395 H396 | S389-G392 WeakPolarHBondContact O-CA 3.43Å; S389-G392 PolarHBondContact O-N 3.04Å; R390-G392 PolarHBondContact O-N 3.25Å; G392-E394 PolarHBondContact O-N 3.11Å; G392-R395 PolarHBondContact O-N 3.38Å; G392-H396 PolarHBondContact O-N 3.35Å |
| 393 | Q | 82.8 | Confident | 71.8 | Confident | 25 Ų | 25 | 75 Ų | 75 | 12% | 0.117 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -54.9 | -51.8 | 176 | -170 | -162.5 | 28.4 | 0 | 0 | 111.5 | L379 F387 S389 R390 R395 H396 L397 | L379-Q393 VanDerWaalsContact C-NE2 3.35Å; L379-Q393 PolarHBondContact O-NE2 3Å; F387-Q393 HydrophobicContact CB-CB 3.9Å; F387-Q393 HydrophobicContact CD2-CB 3.79Å; F387-Q393 HydrophobicContact CD2-CG 3.88Å; F387-Q393 HydrophobicContact CG-CB 3.86Å; F387-Q393 HydrophobicContact CG-CG 4.45Å; S389-Q393 PolarHBondContact O-N 2.93Å; R390-Q393 WeakPolarHBondContact O-CB 3.48Å; R390-Q393 PolarHBondContact O-N 2.97Å; Q393-R395 VanDerWaalsContact C-N 3.33Å; Q393-R395 PolarHBondContact O-N 3.47Å; Q393-H396 WeakPolarHBondContact O-CB 3.4Å; Q393-H396 PolarHBondContact O-N 3.01Å; Q393-L397 HydrophobicContact CG-CD1 4.32Å; Q393-L397 VanDerWaalsContact O-CG 3.31Å; Q393-L397 WeakPolarHBondContact O-CG 3.34Å; Q393-L397 PolarHBondContact O-N 3.36Å |
| 394 | E | 74.5 | Confident | 71.5 | Confident | 58 Ų | 58 | 76.6 Ų | 76.6 | 27% | 0.271 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67.4 | -32 | -179.4 | -68.8 | -177.5 | -165.7 | 0 | 0 | 112.8 | R390 G392 L397 R398 | R390-E394 HydrophobicContact CG-CG 4.33Å; R390-E394 IonicContact CZ-OE1 3.52Å; R390-E394 IonicContact NE-OE1 3.23Å; R390-E394 PolarHBondContact NE-OE1 3.18Å; R390-E394 IonicContact NH2-OE1 3.82Å; R390-E394 WeakPolarHBondContact O-CG 3.42Å; R390-E394 PolarHBondContact O-N 3.47Å; G392-E394 PolarHBondContact O-N 3.11Å; E394-L397 PolarHBondContact O-N 3.07Å; E394-R398 VanDerWaalsContact CB-NH2 3.31Å; E394-R398 WeakPolarHBondContact O-CB 3.48Å; E394-R398 VanDerWaalsContact O-CG 3.32Å; E394-R398 WeakPolarHBondContact O-CG 3.17Å; E394-R398 PolarHBondContact O-N 2.96Å; E394-R398 PolarHBondContact O-NE 3.31Å; E394-R398 IonicContact OE2-CZ 3.99Å; E394-R398 IonicContact OE2-NH1 3.38Å; E394-R398 PolarHBondContact OE2-NH1 3.36Å; E394-R398 VanDerWaalsContact OE2-NH1 3.11Å; E394-R398 IonicContact OE2-NH2 2.81Å |
| 395 | R | 76.9 | Confident | 71.8 | Confident | 149 Ų | 149 | 76.4 Ų | 76.4 | 56% | 0.562 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -66.8 | -44.8 | 171.8 | -172.5 | -173.8 | -62.9 | 118.3 | -2.5 | 111 | A391 G392 Q393 R398 L399 | A391-R395 VanDerWaalsContact O-CB 3.24Å; A391-R395 WeakPolarHBondContact O-CB 3.47Å; A391-R395 PolarHBondContact O-N 3.14Å; A391-R395 VanDerWaalsContact O-N 3.1Å; G392-R395 PolarHBondContact O-N 3.38Å; Q393-R395 VanDerWaalsContact C-N 3.33Å; Q393-R395 PolarHBondContact O-N 3.47Å; R395-R398 PolarHBondContact O-N 3.01Å; R395-L399 HydrophobicContact CG-CD1 3.92Å; R395-L399 HydrophobicContact CG-CG 4.5Å; R395-L399 WeakPolarHBondContact O-CG 3.35Å; R395-L399 PolarHBondContact O-N 2.79Å |
| 396 | H | 78.9 | Confident | 72.3 | Confident | 21 Ų | 21 | 75.1 Ų | 75.1 | 10% | 0.097 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -56.2 | -50.9 | 172.1 | 165.8 | 105 | 0 | 0 | 0 | 110.4 | C383 E385 F387 G392 Q393 R398 L399 M400 H401 | C383-H396 VanDerWaalsContact SG-CE1 3.56Å; C383-H396 PolarHBondContact SG-NE2 3.26Å; E385-H396 VanDerWaalsContact CD-CE1 3.42Å; E385-H396 IonicContact OE1-CE1 3.66Å; E385-H396 PolarHBondContact OE1-CE1 2.97Å; E385-H396 IonicContact OE2-CE1 3.85Å; E385-H396 PolarHBondContact OE2-CE1 2.79Å; E385-H396 IonicContact OE2-ND1 3.11Å; E385-H396 PolarHBondContact OE2-ND1 3.36Å; F387-H396 HydrophobicContact CE1-CB 3.74Å; F387-H396 HydrophobicContact CE2-CB 4.11Å; F387-H396 AromaticContact CE2-CG 4Å; F387-H396 HydrophobicContact CZ-CB 3.4Å; F387-H396 AromaticContact CZ-CG 3.41Å; F387-H396 VanDerWaalsContact CZ-CG 3.41Å; F387-H396 AromaticContact CZ-ND1 3.54Å; G392-H396 PolarHBondContact O-N 3.35Å; Q393-H396 WeakPolarHBondContact O-CB 3.4Å; Q393-H396 PolarHBondContact O-N 3.01Å; H396-R398 VanDerWaalsContact C-N 3.31Å; H396-R398 PolarHBondContact O-N 3.04Å; H396-L399 PolarHBondContact O-N 2.94Å; H396-L399 VanDerWaalsContact O-N 3.13Å; H396-M400 WeakPolarHBondContact O-CB 3.49Å; H396-M400 PolarHBondContact O-N 3.35Å; H396-H401 AromaticContact NE2-NE2 3.77Å |
| 397 | L | 74 | Confident | 73 | Confident | 28 Ų | 28 | 76.7 Ų | 76.7 | 15% | 0.147 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.8 | -42 | -178.2 | -67.7 | 172.6 | 0 | 0 | 0 | 111.3 | Q393 E394 L399 H401 I405 | Q393-L397 HydrophobicContact CG-CD1 4.32Å; Q393-L397 VanDerWaalsContact O-CG 3.31Å; Q393-L397 WeakPolarHBondContact O-CG 3.34Å; Q393-L397 PolarHBondContact O-N 3.36Å; E394-L397 PolarHBondContact O-N 3.07Å; L397-L399 PolarHBondContact O-N 3.35Å; L397-H401 CarbonylContact O-C 3.46Å; L397-H401 VanDerWaalsContact O-CA 3.27Å; L397-H401 WeakPolarHBondContact O-CA 3.4Å; L397-H401 WeakPolarHBondContact O-CB 3.31Å; L397-H401 PolarHBondContact O-N 3.48Å; L397-I405 HydrophobicContact CB-CD1 3.82Å; L397-I405 HydrophobicContact CB-CG1 4.49Å |
| 398 | R | 73.1 | Confident | 73.4 | Confident | 134 Ų | 134 | 75.5 Ų | 75.5 | 51% | 0.506 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66.4 | -30.4 | 177.1 | -75.9 | -178.1 | -71.7 | -106.6 | -1.5 | 114.2 | E394 R395 H396 P402 I405 | E394-R398 VanDerWaalsContact CB-NH2 3.31Å; E394-R398 WeakPolarHBondContact O-CB 3.48Å; E394-R398 VanDerWaalsContact O-CG 3.32Å; E394-R398 WeakPolarHBondContact O-CG 3.17Å; E394-R398 PolarHBondContact O-N 2.96Å; E394-R398 PolarHBondContact O-NE 3.31Å; E394-R398 IonicContact OE2-CZ 3.99Å; E394-R398 IonicContact OE2-NH1 3.38Å; E394-R398 PolarHBondContact OE2-NH1 3.36Å; E394-R398 VanDerWaalsContact OE2-NH1 3.11Å; E394-R398 IonicContact OE2-NH2 2.81Å; R395-R398 PolarHBondContact O-N 3.01Å; H396-R398 VanDerWaalsContact C-N 3.31Å; H396-R398 PolarHBondContact O-N 3.04Å; R398-P402 WeakPolarHBondContact O-CB 3.42Å; R398-I405 HydrophobicContact CG-CD1 3.95Å |
| 399 | L | 71.3 | Confident | 73.6 | Confident | 127 Ų | 127 | 78.2 Ų | 78.2 | 67% | 0.665 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -96.2 | -39.9 | -177.1 | -65.2 | 177.4 | 0 | 0 | 0 | 113.6 | R395 H396 L397 P402 | R395-L399 HydrophobicContact CG-CD1 3.92Å; R395-L399 HydrophobicContact CG-CG 4.5Å; R395-L399 WeakPolarHBondContact O-CG 3.35Å; R395-L399 PolarHBondContact O-N 2.79Å; H396-L399 PolarHBondContact O-N 2.94Å; H396-L399 VanDerWaalsContact O-N 3.13Å; L397-L399 PolarHBondContact O-N 3.35Å; L399-P402 WeakPolarHBondContact O-CD 2.96Å |
| 400 | M | 67.1 | Low | 73.8 | Confident | 125 Ų | 125 | 79.5 Ų | 79.5 | 62% | 0.616 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -94.9 | -24.2 | -175.9 | -56.5 | -56.3 | -70.1 | 0 | 0 | 112.9 | H396 | H396-M400 WeakPolarHBondContact O-CB 3.49Å; H396-M400 PolarHBondContact O-N 3.35Å |
| 401 | H | 69 | Low | 74.1 | Confident | 40 Ų | 40 | 73.8 Ų | 73.8 | 19% | 0.185 | 37% | 0.374 | C | S | . | . | trans | -126.9 | 38.4 | 178.9 | -57.6 | -21 | 0 | 0 | 0 | 114.4 | H396 L397 S403 Q404 I405 | H396-H401 AromaticContact NE2-NE2 3.77Å; L397-H401 CarbonylContact O-C 3.46Å; L397-H401 VanDerWaalsContact O-CA 3.27Å; L397-H401 WeakPolarHBondContact O-CA 3.4Å; L397-H401 WeakPolarHBondContact O-CB 3.31Å; L397-H401 PolarHBondContact O-N 3.48Å; H401-S403 PolarHBondContact O-N 3.49Å; H401-S403 VanDerWaalsContact O-N 3.09Å; H401-Q404 HydrophobicContact CB-CB 4.46Å; H401-Q404 PolarHBondContact O-N 3.18Å; H401-I405 PolarHBondContact O-N 2.77Å | ||
| 402 | P | 61.4 | Low | 74.2 | Confident | 85 Ų | 85 | 77.7 Ų | 77.7 | 55% | 0.552 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -26.8 | -178.3 | 25.3 | -34.7 | 0 | 0 | 0 | 113.2 | R398 L399 Q404 | R398-P402 WeakPolarHBondContact O-CB 3.42Å; L399-P402 WeakPolarHBondContact O-CD 2.96Å; P402-Q404 VanDerWaalsContact C-N 3.31Å; P402-Q404 PolarHBondContact O-N 3.16Å |
| 403 | S | 56.3 | Low | 74.1 | Confident | 88 Ų | 88 | 78.2 Ų | 78.2 | 62% | 0.615 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | 1 | 177.9 | 53.9 | 0 | 0 | 0 | 0 | 114.8 | H401 | H401-S403 PolarHBondContact O-N 3.49Å; H401-S403 VanDerWaalsContact O-N 3.09Å |
| 404 | Q | 60.7 | Low | 74.1 | Confident | 84 Ų | 84 | 81.5 Ų | 81.5 | 39% | 0.393 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.9 | -1.9 | -178.3 | -61.1 | -63.3 | -23.6 | 0 | 0 | 114.1 | H401 P402 Y406 P416 | H401-Q404 HydrophobicContact CB-CB 4.46Å; H401-Q404 PolarHBondContact O-N 3.18Å; P402-Q404 VanDerWaalsContact C-N 3.31Å; P402-Q404 PolarHBondContact O-N 3.16Å; Q404-Y406 VanDerWaalsContact O-CD2 3.27Å; Q404-Y406 WeakPolarHBondContact O-CD2 3.19Å; Q404-Y406 WeakPolarHBondContact O-CE2 3.37Å; Q404-P416 CarbonylContact O-C 3.15Å; Q404-P416 VanDerWaalsContact O-C 3.29Å; Q404-P416 WeakPolarHBondContact O-CA 3.35Å |
| 405 | I | 72.6 | Confident | 74.3 | Confident | 42 Ų | 42 | 80.8 Ų | 80.8 | 22% | 0.215 | 42% | 0.417 | C | S | . | . | trans | -89 | 121.6 | 165.1 | -57.2 | 169.8 | 0 | 0 | 0 | 108.5 | L397 R398 H401 P407 T414 | L397-I405 HydrophobicContact CB-CD1 3.82Å; L397-I405 HydrophobicContact CB-CG1 4.49Å; R398-I405 HydrophobicContact CG-CD1 3.95Å; H401-I405 PolarHBondContact O-N 2.77Å; I405-P407 VanDerWaalsContact O-CD 3.27Å; I405-P407 WeakPolarHBondContact O-CD 3.41Å; I405-T414 HydrophobicContact CG2-CG2 4.1Å | ||
| 406 | Y | 79.3 | Confident | 74 | Confident | 68 Ų | 68 | 76.9 Ų | 76.9 | 27% | 0.267 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 95.3 | 177.8 | -63.4 | -87.2 | 0 | 0 | 0 | 108.7 | Q404 L415 | Q404-Y406 VanDerWaalsContact O-CD2 3.27Å; Q404-Y406 WeakPolarHBondContact O-CD2 3.19Å; Q404-Y406 WeakPolarHBondContact O-CE2 3.37Å; Y406-L415 WeakPolarHBondContact CB-O 3.47Å; Y406-L415 PolarHBondContact N-O 2.75Å; Y406-L415 PolarHBondContact O-N 3.35Å |
| 407 | P | 80.6 | Confident | 73.9 | Confident | 78 Ų | 78 | 78.3 Ų | 78.3 | 51% | 0.506 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 140.6 | 174.6 | 28.7 | -34.2 | 0 | 0 | 0 | 110.7 | I405 T414 L421 | I405-P407 VanDerWaalsContact O-CD 3.27Å; I405-P407 WeakPolarHBondContact O-CD 3.41Å; P407-T414 HydrophobicContact CB-CG2 4.19Å; P407-L421 WeakPolarHBondContact O-CD2 3.21Å |
| 408 | C | 84.3 | Confident | 74.1 | Confident | 12 Ų | 12 | 79.3 Ų | 79.3 | 8% | 0.081 | 43% | 0.433 | C | S | . | . | trans | -70.1 | 141.7 | 166 | -166.6 | 0 | 0 | 0 | 0 | 109.8 | Y410 A413 L421 | C408-Y410 VanDerWaalsContact C-N 3.28Å; C408-A413 HydrophobicContact CB-CB 4.45Å; C408-A413 PolarHBondContact N-O 2.84Å; C408-L421 HydrophobicContact CB-CD1 3.84Å | ||
| 409 | K | 81.1 | Confident | 74.4 | Confident | 186 Ų | 186 | 77.3 Ų | 77.3 | 81% | 0.809 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -80.6 | -12.1 | 176.8 | -66.7 | -172 | 176 | -174.1 | 0 | 113.2 | ||
| 410 | Y | 80.9 | Confident | 74.7 | Confident | 89 Ų | 89 | 72.6 Ų | 72.6 | 35% | 0.349 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -121.3 | -6 | -165 | -50.2 | -69 | 0 | 0 | 0 | 113 | C408 H429 E432 | C408-Y410 VanDerWaalsContact C-N 3.28Å; Y410-H429 WeakPolarHBondContact CB-CE1 3.36Å; Y410-H429 WeakPolarHBondContact CB-ND1 3.06Å; Y410-H429 HydrophobicContact CD2-CB 4.38Å; Y410-H429 PolarHBondContact O-CE1 3.12Å; Y410-E432 HydrophobicContact CD1-CB 4.39Å; Y410-E432 HydrophobicContact CD1-CG 4.01Å; Y410-E432 WeakPolarHBondContact CD1-OE1 3.5Å; Y410-E432 HydrophobicContact CD2-CB 4.35Å; Y410-E432 HydrophobicContact CE1-CB 3.99Å; Y410-E432 HydrophobicContact CE1-CG 3.85Å; Y410-E432 HydrophobicContact CE2-CB 3.96Å; Y410-E432 HydrophobicContact CG-CG 4.44Å |
| 411 | C | 81.1 | Confident | 75.5 | Confident | 39 Ų | 39 | 67.9 Ų | 67.9 | 26% | 0.264 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -159.1 | 163.6 | 173.5 | 71.7 | 0 | 0 | 0 | 0 | 109.8 | A413 H424 H429 | C411-A413 PolarHBondContact O-N 2.84Å; C411-H424 PolarHBondContact SG-NE2 2.99Å; C411-H429 PolarHBondContact SG-NE2 3.09Å; C411-H429 VanDerWaalsContact SG-NE2 3.37Å |
| 412 | P | 76 | Confident | 76.1 | Confident | 133 Ų | 133 | 69.5 Ų | 69.5 | 86% | 0.864 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -72.6 | 11.5 | -176.5 | 29.9 | -36.6 | 0 | 0 | 0 | 115.1 | T414 | P412-T414 PolarHBondContact O-N 2.96Š|
| 413 | A | 75 | Confident | 77.1 | Confident | 32 Ų | 32 | 75 Ų | 75 | 26% | 0.264 | 42% | 0.419 | S | S | . | . | trans | -70.9 | 127.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | C408 C411 | C408-A413 HydrophobicContact CB-CB 4.45Å; C408-A413 PolarHBondContact N-O 2.84Å; C411-A413 PolarHBondContact O-N 2.84Å | ||
| 414 | T | 81 | Confident | 78.4 | Confident | 93 Ų | 93 | 72.5 Ų | 72.5 | 57% | 0.571 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111 | 130.9 | 172.7 | 50.9 | 0 | 0 | 0 | 0 | 109.9 | I405 P407 P412 | I405-T414 HydrophobicContact CG2-CG2 4.1Å; P407-T414 HydrophobicContact CB-CG2 4.19Å; P412-T414 PolarHBondContact O-N 2.96Å |
| 415 | L | 78.9 | Confident | 79.6 | Confident | 44 Ų | 44 | 69.8 Ų | 69.8 | 23% | 0.23 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 134.9 | -169.5 | -71.7 | 167 | 0 | 0 | 0 | 111.8 | Y406 S417 L421 H424 | Y406-L415 WeakPolarHBondContact CB-O 3.47Å; Y406-L415 PolarHBondContact N-O 2.75Å; Y406-L415 PolarHBondContact O-N 3.35Å; L415-S417 PolarHBondContact O-N 2.85Å; L415-L421 HydrophobicContact CB-CB 4.49Å; L415-L421 HydrophobicContact CD1-CB 4.3Å; L415-L421 HydrophobicContact CD1-CD1 4.08Å; L415-H424 HydrophobicContact CD1-CB 3.32Å |
| 416 | P | 71.4 | Confident | 80 | Confident | 66 Ų | 66 | 71.8 Ų | 71.8 | 43% | 0.429 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -80.9 | 20 | -170.7 | 34.7 | -38.6 | 0 | 0 | 0 | 114 | Q404 | Q404-P416 CarbonylContact O-C 3.15Å; Q404-P416 VanDerWaalsContact O-C 3.29Å; Q404-P416 WeakPolarHBondContact O-CA 3.35Å |
| 417 | S | 76.1 | Confident | 80.1 | Confident | 51 Ų | 51 | 76.9 Ų | 76.9 | 36% | 0.357 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -165.6 | 135.5 | -176.8 | -168.3 | 0 | 0 | 0 | 0 | 111.9 | L415 G420 L421 | L415-S417 PolarHBondContact O-N 2.85Å; S417-G420 CarbonylContact O-C 3.07Å; S417-G420 VanDerWaalsContact O-CA 3.29Å; S417-G420 WeakPolarHBondContact O-CA 3.32Å; S417-G420 PolarHBondContact O-N 3.29Å; S417-L421 PolarHBondContact O-N 2.96Å |
| 418 | S | 78.4 | Confident | 80 | Confident | 50 Ų | 50 | 76.8 Ų | 76.8 | 35% | 0.35 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -58.3 | -50.6 | 177.5 | 157.1 | 0 | 0 | 0 | 0 | 112.9 | G420 L421 T422 | S418-G420 PolarHBondContact O-N 2.8Å; S418-G420 VanDerWaalsContact O-N 3.17Å; S418-L421 PolarHBondContact O-N 3.36Å; S418-T422 PolarHBondContact O-N 2.61Å; S418-T422 PolarHBondContact O-OG1 2.96Å |
| 419 | P | 79 | Confident | 79.9 | Confident | 91 Ų | 91 | 77.2 Ų | 77.2 | 59% | 0.591 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -56 | -29.3 | 169.8 | -28.8 | 35.6 | 0 | 0 | 0 | 114.6 | R423 | P419-R423 WeakPolarHBondContact O-CB 3.37Å; P419-R423 PolarHBondContact O-N 3.29Å |
| 420 | G | 78.4 | Confident | 79.4 | Confident | 29 Ų | 29 | 71.7 Ų | 71.7 | 30% | 0.299 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.6 | -48.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S417 S418 R423 H424 | S417-G420 CarbonylContact O-C 3.07Å; S417-G420 VanDerWaalsContact O-CA 3.29Å; S417-G420 WeakPolarHBondContact O-CA 3.32Å; S417-G420 PolarHBondContact O-N 3.29Å; S418-G420 PolarHBondContact O-N 2.8Å; S418-G420 VanDerWaalsContact O-N 3.17Å; G420-R423 PolarHBondContact O-N 2.97Å; G420-H424 WeakPolarHBondContact O-CB 3.14Å; G420-H424 PolarHBondContact O-N 3.22Å |
| 421 | L | 83.9 | Confident | 78.8 | Confident | 26 Ų | 26 | 70.8 Ų | 70.8 | 14% | 0.136 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 174 | 178.1 | 61.7 | 0 | 0 | 0 | 111.7 | P407 C408 L415 S417 S418 R423 H424 I425 | P407-L421 WeakPolarHBondContact O-CD2 3.21Å; C408-L421 HydrophobicContact CB-CD1 3.84Å; L415-L421 HydrophobicContact CB-CB 4.49Å; L415-L421 HydrophobicContact CD1-CB 4.3Å; L415-L421 HydrophobicContact CD1-CD1 4.08Å; S417-L421 PolarHBondContact O-N 2.96Å; S418-L421 PolarHBondContact O-N 3.36Å; L421-R423 VanDerWaalsContact C-N 3.29Å; L421-R423 PolarHBondContact O-N 2.91Å; L421-H424 PolarHBondContact O-N 2.9Å; L421-H424 VanDerWaalsContact O-N 3.11Å; L421-I425 HydrophobicContact CD1-CD1 3.82Å; L421-I425 HydrophobicContact CD1-CG1 3.86Å; L421-I425 HydrophobicContact CD2-CD1 4.28Å; L421-I425 HydrophobicContact CG-CD1 3.77Å; L421-I425 HydrophobicContact CG-CG1 4.23Å; L421-I425 WeakPolarHBondContact O-CG1 3.29Å; L421-I425 PolarHBondContact O-N 3.17Å |
| 422 | T | 81.1 | Confident | 78.1 | Confident | 73 Ų | 73 | 71.3 Ų | 71.3 | 45% | 0.448 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.6 | -39 | 177.4 | -57.1 | 0 | 0 | 0 | 0 | 111.9 | S418 N426 | S418-T422 PolarHBondContact O-N 2.61Å; S418-T422 PolarHBondContact O-OG1 2.96Å; T422-N426 WeakPolarHBondContact O-CB 3.19Å; T422-N426 PolarHBondContact O-N 2.81Å; T422-N426 VanDerWaalsContact O-N 3.1Å; T422-N426 PolarHBondContact O-ND2 3.47Å |
| 423 | R | 82.6 | Confident | 77.3 | Confident | 200 Ų | 200 | 66.1 Ų | 66.1 | 76% | 0.755 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -67.6 | -40.4 | 174.4 | -173.1 | -179.5 | -65.3 | -164.1 | -0.5 | 112.2 | P419 G420 L421 N426 K427 | P419-R423 WeakPolarHBondContact O-CB 3.37Å; P419-R423 PolarHBondContact O-N 3.29Å; G420-R423 PolarHBondContact O-N 2.97Å; L421-R423 VanDerWaalsContact C-N 3.29Å; L421-R423 PolarHBondContact O-N 2.91Å; R423-N426 PolarHBondContact O-N 3.04Å; R423-K427 WeakPolarHBondContact O-CB 3.37Å; R423-K427 PolarHBondContact O-N 3.09Å; R423-K427 VanDerWaalsContact O-N 3.13Å |
| 424 | H | 84.4 | Confident | 76.6 | Confident | 36 Ų | 36 | 73.2 Ų | 73.2 | 17% | 0.167 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65 | -47 | 176.6 | 163.8 | 77.5 | 0 | 0 | 0 | 112 | C411 L415 G420 L421 N426 K427 C428 H429 | C411-H424 PolarHBondContact SG-NE2 2.99Å; L415-H424 HydrophobicContact CD1-CB 3.32Å; G420-H424 WeakPolarHBondContact O-CB 3.14Å; G420-H424 PolarHBondContact O-N 3.22Å; L421-H424 PolarHBondContact O-N 2.9Å; L421-H424 VanDerWaalsContact O-N 3.11Å; H424-N426 VanDerWaalsContact C-N 3.32Å; H424-N426 PolarHBondContact O-N 3.26Å; H424-K427 PolarHBondContact O-N 2.82Å; H424-C428 WeakPolarHBondContact O-CB 3.43Å; H424-C428 PolarHBondContact O-N 3.4Å; H424-H429 AromaticContact NE2-CD2 3.81Å; H424-H429 AromaticContact NE2-NE2 3.9Å |
| 425 | I | 85.1 | Confident | 75.5 | Confident | 27 Ų | 27 | 74.3 Ų | 74.3 | 14% | 0.138 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59.1 | -44.7 | 176 | -65.1 | 172.4 | 0 | 0 | 0 | 109.8 | L421 K427 H429 N433 | L421-I425 HydrophobicContact CD1-CD1 3.82Å; L421-I425 HydrophobicContact CD1-CG1 3.86Å; L421-I425 HydrophobicContact CD2-CD1 4.28Å; L421-I425 HydrophobicContact CG-CD1 3.77Å; L421-I425 HydrophobicContact CG-CG1 4.23Å; L421-I425 WeakPolarHBondContact O-CG1 3.29Å; L421-I425 PolarHBondContact O-N 3.17Å; I425-K427 PolarHBondContact O-N 3.06Å; I425-H429 HydrophobicContact CB-CB 4.49Å; I425-H429 HydrophobicContact CG2-CB 3.95Å; I425-H429 CarbonylContact O-C 3.54Å; I425-H429 WeakPolarHBondContact O-CA 3.37Å; I425-H429 WeakPolarHBondContact O-CB 3.24Å; I425-H429 PolarHBondContact O-N 2.97Å; I425-N433 HydrophobicContact CG2-CB 4.06Å |
| 426 | N | 81.4 | Confident | 74.5 | Confident | 85 Ų | 85 | 75.5 Ų | 75.5 | 46% | 0.455 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.9 | -21.6 | 175 | -84.7 | -73.5 | 0 | 0 | 0 | 114.9 | T422 R423 H424 N433 | T422-N426 WeakPolarHBondContact O-CB 3.19Å; T422-N426 PolarHBondContact O-N 2.81Å; T422-N426 VanDerWaalsContact O-N 3.1Å; T422-N426 PolarHBondContact O-ND2 3.47Å; R423-N426 PolarHBondContact O-N 3.04Å; H424-N426 VanDerWaalsContact C-N 3.32Å; H424-N426 PolarHBondContact O-N 3.26Å; N426-N433 PolarHBondContact OD1-OD1 3.45Å |
| 427 | K | 81.4 | Confident | 73.9 | Confident | 175 Ų | 175 | 77.4 Ų | 77.4 | 76% | 0.761 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -98.4 | -35.8 | -175.5 | -169.2 | 73.2 | 176 | -178.2 | 0 | 113.1 | R423 H424 I425 | R423-K427 WeakPolarHBondContact O-CB 3.37Å; R423-K427 PolarHBondContact O-N 3.09Å; R423-K427 VanDerWaalsContact O-N 3.13Å; H424-K427 PolarHBondContact O-N 2.82Å; I425-K427 PolarHBondContact O-N 3.06Å |
| 428 | C | 79.3 | Confident | 72.9 | Confident | 75 Ų | 75 | 81.5 Ų | 81.5 | 51% | 0.507 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -110.5 | -23.5 | -174.2 | -61.3 | 0 | 0 | 0 | 0 | 113.1 | H424 P430 | H424-C428 WeakPolarHBondContact O-CB 3.43Å; H424-C428 PolarHBondContact O-N 3.4Å; C428-P430 WeakPolarHBondContact O-CD 3.15Å |
| 429 | H | 80.6 | Confident | 71.8 | Confident | 21 Ų | 21 | 86.4 Ų | 86.4 | 10% | 0.097 | 45% | 0.446 | C | S | . | . | trans | -127 | 52.5 | -174.8 | -64.5 | -76.8 | 0 | 0 | 0 | 112.2 | Y410 C411 H424 I425 S431 E432 N433 | Y410-H429 WeakPolarHBondContact CB-CE1 3.36Å; Y410-H429 WeakPolarHBondContact CB-ND1 3.06Å; Y410-H429 HydrophobicContact CD2-CB 4.38Å; Y410-H429 PolarHBondContact O-CE1 3.12Å; C411-H429 PolarHBondContact SG-NE2 3.09Å; C411-H429 VanDerWaalsContact SG-NE2 3.37Å; H424-H429 AromaticContact NE2-CD2 3.81Å; H424-H429 AromaticContact NE2-NE2 3.9Å; I425-H429 HydrophobicContact CB-CB 4.49Å; I425-H429 HydrophobicContact CG2-CB 3.95Å; I425-H429 CarbonylContact O-C 3.54Å; I425-H429 WeakPolarHBondContact O-CA 3.37Å; I425-H429 WeakPolarHBondContact O-CB 3.24Å; I425-H429 PolarHBondContact O-N 2.97Å; H429-S431 VanDerWaalsContact C-N 3.26Å; H429-S431 PolarHBondContact O-N 3.43Å; H429-E432 HydrophobicContact CB-CB 4.48Å; H429-E432 VanDerWaalsContact CB-OE2 3.28Å; H429-E432 WeakPolarHBondContact CB-OE2 3.41Å; H429-E432 IonicContact CE1-OE2 2.58Å; H429-E432 IonicContact CG-OE2 2.77Å; H429-E432 IonicContact ND1-OE2 3.59Å; H429-E432 PolarHBondContact ND1-OE2 2.93Å; H429-E432 PolarHBondContact O-N 3.16Å; H429-N433 PolarHBondContact O-N 2.84Å; H429-N433 VanDerWaalsContact O-N 3.11Å | ||
| 430 | P | 72.1 | Confident | 70.6 | Confident | 71 Ų | 71 | 89.6 Ų | 89.6 | 46% | 0.461 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -70.1 | -18.9 | -172 | 30.9 | -37.7 | 0 | 0 | 0 | 113.9 | C428 R434 | C428-P430 WeakPolarHBondContact O-CD 3.15Å; P430-R434 WeakPolarHBondContact O-CD 3.33Å; P430-R434 WeakPolarHBondContact O-CG 3.41Å |
| 431 | S | 66.9 | Low | 68.8 | Low | 70 Ų | 70 | 95 Ų | 95 | 49% | 0.49 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -72.6 | -52.8 | 172.5 | 41.3 | 0 | 0 | 0 | 0 | 111.3 | H429 N433 R434 | H429-S431 VanDerWaalsContact C-N 3.26Å; H429-S431 PolarHBondContact O-N 3.43Å; S431-N433 VanDerWaalsContact C-N 3.35Å; S431-N433 PolarHBondContact O-N 2.91Å; S431-R434 PolarHBondContact O-N 2.85Å |
| 432 | E | 66.4 | Low | 67.1 | Low | 50 Ų | 50 | 99 Ų | 99 | 23% | 0.234 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -69.5 | -32.6 | -175.7 | -67.9 | 147.3 | 141.3 | 0 | 0 | 111.5 | Y410 H429 R434 Q435 V436 | Y410-E432 HydrophobicContact CD1-CB 4.39Å; Y410-E432 HydrophobicContact CD1-CG 4.01Å; Y410-E432 WeakPolarHBondContact CD1-OE1 3.5Å; Y410-E432 HydrophobicContact CD2-CB 4.35Å; Y410-E432 HydrophobicContact CE1-CB 3.99Å; Y410-E432 HydrophobicContact CE1-CG 3.85Å; Y410-E432 HydrophobicContact CE2-CB 3.96Å; Y410-E432 HydrophobicContact CG-CG 4.44Å; H429-E432 HydrophobicContact CB-CB 4.48Å; H429-E432 VanDerWaalsContact CB-OE2 3.28Å; H429-E432 WeakPolarHBondContact CB-OE2 3.41Å; H429-E432 IonicContact CE1-OE2 2.58Å; H429-E432 IonicContact CG-OE2 2.77Å; H429-E432 IonicContact ND1-OE2 3.59Å; H429-E432 PolarHBondContact ND1-OE2 2.93Å; H429-E432 PolarHBondContact O-N 3.16Å; E432-R434 PolarHBondContact O-N 2.75Å; E432-Q435 PolarHBondContact O-N 3.23Å; E432-V436 PolarHBondContact O-N 3.05Å |
| 433 | N | 60.7 | Low | 65.6 | Low | 24 Ų | 24 | 102 Ų | 102 | 13% | 0.128 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -62 | -40.2 | 174.5 | -159.4 | -90.6 | 0 | 0 | 0 | 113 | I425 N426 H429 S431 Q435 V436 I437 | I425-N433 HydrophobicContact CG2-CB 4.06Å; N426-N433 PolarHBondContact OD1-OD1 3.45Å; H429-N433 PolarHBondContact O-N 2.84Å; H429-N433 VanDerWaalsContact O-N 3.11Å; S431-N433 VanDerWaalsContact C-N 3.35Å; S431-N433 PolarHBondContact O-N 2.91Å; N433-Q435 VanDerWaalsContact C-N 3.27Å; N433-Q435 PolarHBondContact O-N 3.46Å; N433-V436 PolarHBondContact O-N 3.22Å; N433-I437 PolarHBondContact O-N 2.7Å; N433-I437 VanDerWaalsContact O-N 3.12Å; N433-I437 WeakPolarHBondContact OD1-CD1 3.49Å |
| 434 | R | 59.8 | Low | 63.9 | Low | 181 Ų | 181 | 103.3 Ų | 103.3 | 68% | 0.683 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.5 | -36.5 | 178.9 | -69.8 | 169.6 | -178.8 | -155.8 | -1 | 111.9 | P430 S431 E432 I437 L438 | P430-R434 WeakPolarHBondContact O-CD 3.33Å; P430-R434 WeakPolarHBondContact O-CG 3.41Å; S431-R434 PolarHBondContact O-N 2.85Å; E432-R434 PolarHBondContact O-N 2.75Å; R434-I437 PolarHBondContact O-N 3.33Å; R434-L438 WeakPolarHBondContact O-CG 3.41Å; R434-L438 PolarHBondContact O-N 3.43Å; R434-L438 VanDerWaalsContact O-N 3.09Å |
| 435 | Q | 57.6 | Low | 62.2 | Low | 116 Ų | 116 | 107.6 Ų | 107.6 | 54% | 0.542 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.7 | -43.2 | 177.5 | -64 | 168.6 | -13.3 | 0 | 0 | 111.2 | E432 N433 I437 L438 L439 | E432-Q435 PolarHBondContact O-N 3.23Å; N433-Q435 VanDerWaalsContact C-N 3.27Å; N433-Q435 PolarHBondContact O-N 3.46Å; Q435-I437 PolarHBondContact O-N 3.29Å; Q435-L438 PolarHBondContact O-N 3.1Å; Q435-L439 WeakPolarHBondContact O-CB 3.49Å; Q435-L439 VanDerWaalsContact O-CG 3.29Å; Q435-L439 WeakPolarHBondContact O-CG 3.41Å; Q435-L439 PolarHBondContact O-N 3.06Å |
| 436 | V | 58.2 | Low | 60.4 | Low | 69 Ų | 69 | 111 Ų | 111 | 42% | 0.418 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.4 | -40.5 | 177.1 | 179.1 | 0 | 0 | 0 | 0 | 111.8 | E432 N433 L439 Q440 | E432-V436 PolarHBondContact O-N 3.05Å; N433-V436 PolarHBondContact O-N 3.22Å; V436-L439 PolarHBondContact O-N 2.93Å; V436-Q440 PolarHBondContact O-N 2.83Å |
| 437 | I | 57.3 | Low | 58.7 | Low | 106 Ų | 106 | 116.7 Ų | 116.7 | 54% | 0.544 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -64.4 | -43.8 | 177.2 | -67.1 | 171.9 | 0 | 0 | 0 | 111.3 | N433 R434 Q435 L439 Q440 | N433-I437 PolarHBondContact O-N 2.7Å; N433-I437 VanDerWaalsContact O-N 3.12Å; N433-I437 WeakPolarHBondContact OD1-CD1 3.49Å; R434-I437 PolarHBondContact O-N 3.33Å; Q435-I437 PolarHBondContact O-N 3.29Å; I437-L439 VanDerWaalsContact C-N 3.32Å; I437-L439 PolarHBondContact O-N 3.2Å; I437-Q440 PolarHBondContact O-N 3.13Å |
| 438 | L | 55.5 | Low | 57.6 | Low | 137 Ų | 137 | 113.8 Ų | 113.8 | 72% | 0.717 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.5 | -35 | 178.2 | -72.4 | 167.6 | 0 | 0 | 0 | 112.6 | R434 Q435 Q440 | R434-L438 WeakPolarHBondContact O-CG 3.41Å; R434-L438 PolarHBondContact O-N 3.43Å; R434-L438 VanDerWaalsContact O-N 3.09Å; Q435-L438 PolarHBondContact O-N 3.1Å; L438-Q440 VanDerWaalsContact C-N 3.33Å; L438-Q440 PolarHBondContact O-N 3.11Å |
| 439 | L | 56.3 | Low | 56.4 | Low | 153 Ų | 153 | 115.8 Ų | 115.8 | 80% | 0.801 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -77.1 | -13.6 | 178.7 | -70.6 | 168.4 | 0 | 0 | 0 | 114.2 | Q435 V436 I437 | Q435-L439 WeakPolarHBondContact O-CB 3.49Å; Q435-L439 VanDerWaalsContact O-CG 3.29Å; Q435-L439 WeakPolarHBondContact O-CG 3.41Å; Q435-L439 PolarHBondContact O-N 3.06Å; V436-L439 PolarHBondContact O-N 2.93Å; I437-L439 VanDerWaalsContact C-N 3.32Å; I437-L439 PolarHBondContact O-N 3.2Å |
| 440 | Q | 53.6 | Low | 55.1 | Low | 158 Ų | 158 | 121.1 Ų | 121.1 | 74% | 0.738 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | 19.7 | -177 | -163.1 | 137 | 54.1 | 0 | 0 | 113.9 | V436 I437 L438 P442 | V436-Q440 PolarHBondContact O-N 2.83Å; I437-Q440 PolarHBondContact O-N 3.13Å; L438-Q440 VanDerWaalsContact C-N 3.33Å; L438-Q440 PolarHBondContact O-N 3.11Å; Q440-P442 VanDerWaalsContact O-CD 3.25Å; Q440-P442 WeakPolarHBondContact O-CD 3.32Å |
| 441 | M | 41.2 | Very low | 54.1 | Low | 141 Ų | 141 | 124.1 Ų | 124.1 | 70% | 0.695 | 67% | 0.671 | S | S | * | * | trans | -86.9 | 107.4 | 165.9 | -74.6 | -95.1 | 64.7 | 0 | 0 | 110.2 | V443 | M441-V443 PolarHBondContact O-N 2.82Å; M441-V443 VanDerWaalsContact O-N 3.09Å | ||
| 442 | P | 46.8 | Very low | 53.3 | Low | 112 Ų | 112 | 127.4 Ų | 127.4 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | trans | -69.8 | 109 | 175.6 | 28.4 | -33.8 | 0 | 0 | 0 | 110 | Q440 R444 | Q440-P442 VanDerWaalsContact O-CD 3.25Å; Q440-P442 WeakPolarHBondContact O-CD 3.32Å; P442-R444 PolarHBondContact O-N 3.21Å; P442-R444 VanDerWaalsContact O-N 3.14Å | ||
| 443 | V | 50.7 | Low | 52.4 | Low | 136 Ų | 136 | 132.6 Ų | 132.6 | 82% | 0.824 | 71% | 0.713 | S | S | * | * | trans | -60.1 | 115.4 | 168.2 | -179.3 | 0 | 0 | 0 | 0 | 107.7 | M441 P445 | M441-V443 PolarHBondContact O-N 2.82Å; M441-V443 VanDerWaalsContact O-N 3.09Å; V443-P445 WeakPolarHBondContact O-CD 3.34Å | ||
| 444 | R | 46.3 | Very low | 51.8 | Low | 227 Ų | 227 | 140.4 Ų | 140.4 | 86% | 0.857 | 75% | 0.754 | S | S | * | * | trans | -66.2 | 123.7 | 172 | -75.1 | -177.6 | 170.3 | -174.4 | -4.1 | 108.3 | P442 A446 | P442-R444 PolarHBondContact O-N 3.21Å; P442-R444 VanDerWaalsContact O-N 3.14Å; R444-A446 PolarHBondContact O-N 3.25Å | ||
| 445 | P | 49.4 | Very low | 51.2 | Low | 125 Ų | 125 | 137.2 Ų | 137.2 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | trans | -63.7 | 129.8 | 166.4 | 28.1 | -32.5 | 0 | 0 | 0 | 108.3 | V443 | V443-P445 WeakPolarHBondContact O-CD 3.34Š| ||
| 446 | A | 46.3 | Very low | 50.7 | Low | 98 Ų | 98 | 139 Ų | 139 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | -96.7 | 112.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | R444 | R444-A446 PolarHBondContact O-N 3.25Š| ||
| 447 | C | 46.6 | Very low | 50 | Low | 206 Ų | 206 | 145.4 Ų | 145.4 | 100% | 1.392 | 81% | 0.811 | S | S | * | * | trans | -148.7 | 0 | 166 | -78 | 0 | 0 | 0 | 0 | 106.4 |
Retrieved 447 of 447 residues in 206.9 ms
(Link to these results)